material_id
stringlengths
4
10
formula
stringlengths
1
25
space_group_number
int64
1
230
crystal_system
stringclasses
7 values
structure
stringlengths
533
242k
deprecated
bool
2 classes
uncorrected_energy_per_atom
float64
-86.36
-0.03
energy_per_atom
float64
-86.36
-0.03
formation_energy_per_atom
float64
-5.15
8.99
energy_above_hull
float64
-0
9.71
is_stable
bool
2 classes
equilibrium_reaction_energy_per_atom
float64
-4.52
0
band_gap
float64
0
17.9
cbm
float64
-9.83
14.7
vbm
float64
-14.22
14.7
efermi
float64
-14.02
19.4
is_gap_direct
bool
2 classes
is_metal
bool
2 classes
is_magnetic
bool
2 classes
ordering
stringclasses
5 values
total_magnetization
float64
0
320
total_magnetization_normalized_vol
float64
0
0.26
total_magnetization_normalized_formula_units
float64
0
214
num_magnetic_sites
int64
0
160
num_unique_magnetic_sites
int64
0
160
possible_species
listlengths
0
10
theoretical
bool
2 classes
e_total
float64
1.16
127k
e_ionic
float64
0
127k
e_electronic
float64
-64.84
46.9k
n
float64
0
216
universal_anisotropy
float64
-8,421,341,618,307,863,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000
2,889,475,335,111,887,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000B
homogeneous_poisson
float64
-179.36
82.9
e_ij_max
float64
0
119
xas_is_available
bool
2 classes
bandstructure_is_available
bool
2 classes
dos_is_available
bool
2 classes
decomposes_to_is_available
bool
2 classes
types_of_magnetic_species_is_available
bool
2 classes
mp-3249365
Tb2Tm3RuRh
5
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.863409815129071,-2.1501336000000002e-9,-2.37255030221671],[-0.34097672838513804,7.09495914594086,-0.8426746377863661],[0.004181370190876,-0.006557601450261001,8.441888260905412]],"pbc":[true,true,true],"a":6.325232770159571,"...
false
-31.597142
-31.597142
-0.543317
0
true
-0.001746
0
null
null
4.619275
false
true
false
NM
0.000012
0
0.000006
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249366
NaLa2(PRu)6
12
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.08454352247949,-0.0049595417630520005,2.187698245282117],[6.085518256173036,5.322249003130905,2.187698244232959],[-0.02009459464533,-0.007540903222425001,6.097955887448689]],"pbc":[true,true,true],"a":8.37531445238506,"b":8.3...
false
-18.977966
-18.977966
-1.003738
0
true
-0.056495
0
null
null
9.505714
false
true
false
NM
0.000013
0
0.000013
0
0
[ "P3-", "Na+", "Ru2+", "La2.50+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249367
Sr3TmBi3
9
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.084868385694183,-0.031518383575647,-2.805987476201769],[-4.103789888646914,7.123774340620572,-2.9018178711290252],[0.049446071646137006,-0.031518381520323005,8.557816212624346]],"pbc":[true,true,true],"a":8.558017056485786,"b...
false
-37.633787
-37.633787
-1.053094
0
true
-0.023407
0.8915
4.6862
3.7947
3.795985
false
false
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249368
Th3TcPd3
148
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.275443480429359,0.142907760537892,-3.262975045746043],[-5.080358848472652,5.209841995277875,-3.262976718314481],[0.058602852733948003,0.14290851221293102,7.973433918344667]],"pbc":[true,true,true],"a":7.974929881453843,"b":7....
false
-45.71238
-45.71238
-0.67355
0
true
-0.005759
0
null
null
8.823561
false
true
false
NM
0.000005
0
0.000003
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249369
Pr2TmRuBr3
11
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.212884347542954,0.0,0.0],[0.0,8.523893526655169,0.737491698879673],[0.0,0.16735475210994402,11.945587653148793]],"pbc":[true,true,true],"a":4.212884347542954,"b":8.555738124771603,"c":11.946759895139547,"alpha":84.25240649434...
false
-24.193958
-24.193958
-1.461082
0
true
-0.030268
0.1138
4.0788
3.965
3.976228
false
false
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249370
Tb7Yb(DyRu2)2
1
Triclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.438619852053467,0.0007865199692560001,0.9766077943555851],[6.054403140793743,5.905992393831147,0.9629499222830121],[0.013600724730601001,-0.014510822652913001,7.215017899991867]],"pbc":[true,true,true],"a":8.49494369669868,"b...
false
-30.4334
-30.4334
-0.37796
0
true
-0.000691
0
null
null
4.631325
false
true
false
NM
0.000111
0
0.000111
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249371
Th3IrAu3
148
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.5384082032411355,-0.060550578397019,-3.366955650687058],[-5.17319772975998,5.48354919757446,-3.366952706219335],[-0.026407685591529003,-0.060552491881789,8.256106712301644]],"pbc":[true,true,true],"a":8.256370568532578,"b":8....
false
-61.530327
-61.530327
-0.881752
0
true
-0.013094
0
null
null
8.466123
false
true
false
NM
0.000004
0
0.000002
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249372
Np5UP8
82
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.7816841825329774,0.006452789985238,-2.400979053956988],[-3.385564126121236,5.8757979318443665,-2.401858813996793],[-0.004035766492224,-0.005913508758151001,7.194159418582914]],"pbc":[true,true,true],"a":7.194163079028495,"b":...
false
-41.725659
-41.725659
-1.219966
0.037512
false
null
0
null
null
10.129871
false
true
true
FM
16.999941
0.05931
16.999941
6
3
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249373
TbEr(AgO2)4
82
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.261497139394708,0.007902221687619001,-3.860743158934282],[-1.345591950836567,5.08652917135106,-3.860745094508934],[-0.00607395549652,-0.007901317682681,6.525998618839615]],"pbc":[true,true,true],"a":6.526005848313664,"b":6.52...
false
-15.702222
-15.702222
-1.533962
0
true
-0.005544
0
null
null
5.089614
false
true
true
FM
1.919421
0.011006
1.919421
4
1
[ "Ag2.50+", "Er3+", "O2-", "Tb3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249374
Pr3Sm3Hg8
146
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.7573325920772405,0.006458494872189,-3.414266999543422],[-5.234995173496967,5.724602609638106,-3.4142670556734322],[0.002842143646247,0.006458489626796,8.47546000218761]],"pbc":[true,true,true],"a":8.475462807447807,"b":8.4754...
false
-41.443472
-41.443472
-0.561108
0
true
-0.052318
0
null
null
3.633179
false
true
false
NM
0.000501
0.000001
0.000501
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249375
Nd6Pd7Rh
148
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.3472181773745024,0.024042660477448,-3.335409459231597],[-5.18420077540535,5.206367078864394,-3.33540914735992],[0.009942720176771001,0.024042505857228003,8.068858105378498]],"pbc":[true,true,true],"a":8.068900126795272,"b":8....
false
-26.657197
-26.657197
-0.845236
0
true
-0.014578
0
null
null
6.319178
false
true
false
NM
0.000024
0
0.000024
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249376
RbTbSiS4
4
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.667886030304278,0.0,0.0],[0.0,6.089027510935887,2.008319496931109],[0.0,-0.045977421429123005,8.950090830786797]],"pbc":[true,true,true],"a":6.667886030304278,"b":6.411677099689886,"c":8.95020892508187,"alpha":72.040432687182...
false
-13.943633
-13.943633
-1.648317
0
true
-0.07038
3.3084
4.9255
1.6171
1.639992
false
false
false
NM
0
0
0
0
0
[ "Rb+", "S2-", "Si4+", "Tb3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249377
Yb6PdAu7
148
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.265938982469606,-0.07218963022609501,-3.255065011175076],[-5.003336905774807,5.269318642518215,-3.255062131199119],[-0.031426367955198,-0.07219089703926701,7.961678817115824]],"pbc":[true,true,true],"a":7.962068127481693,"b":...
false
-43.5684
-43.5684
-0.98044
0.016518
false
null
0
null
null
5.996613
false
true
false
NM
0.000001
0
0.000001
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249378
ZrU(SbO5)2
5
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.062987341484256,0.024663067792289002,1.843835081556187],[1.000201782814557,4.963269844754345,1.843835080899519],[0.001062048440305,0.000873774416128,7.409633495832957]],"pbc":[true,true,true],"a":5.388337117786901,"b":5.38833...
false
-17.777244
-17.777244
-2.503687
0
true
-0.022011
1.7039
5.6178
3.9139
3.972889
false
false
false
NM
0
0
0
0
0
[ "Sb5+", "O2-", "Zr4+", "U6+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249379
LuPu(AlC)6
164
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.396339501038714,1e-16,0.0],[-1.6981697505193571,2.941317597036604,0.0],[0.0,0.0,17.19740172322218]],"pbc":[true,true,true],"a":3.396339501038714,"b":3.3963406348916414,"c":17.19740172322218,"alpha":90.0,"beta":90.0,"gamma":11...
false
-16.472327
-16.472327
-0.435739
0
true
-0.040813
0
null
null
8.723294
false
true
true
FM
4.934047
0.02872
4.934047
1
1
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249380
Er9Tm(RuRh)2
5
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8393076492833185,-2.94889e-11,-2.362797952841047],[-0.337692155716715,7.084904550918859,-0.8345565755731631],[0.0011255190778830001,-0.002277684176104,8.399677531130408]],"pbc":[true,true,true],"a":6.299232333302886,"b":7.141...
false
-31.941916
-31.941916
-0.543952
0.000014
false
null
0
null
null
4.611615
false
true
false
NM
0.000011
0
0.000011
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249381
DyCd(AgO2)4
82
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.268909742308762,0.033581254253842,-3.860327237267374],[-1.335290395478236,5.097012024380352,-3.860327154266835],[-0.025746461775100003,-0.033581321660629,6.531682054186006]],"pbc":[true,true,true],"a":6.5318193447171975,"b":6...
false
-14.244025
-14.244025
-1.008985
0
true
-0.027261
0
null
null
4.86349
false
true
false
NM
0.000157
0.000001
0.000157
0
0
[ "Cd2+", "Ag3+", "O2-", "Dy2+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249382
Tb3Ho(HgO4)2
8
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.009303389770869,-0.004730652806795001,3.674660180227855],[4.924578330102004,3.4438747864566652,3.6746601784019672],[0.007485706133331001,0.0023548956387170004,10.082266120441743]],"pbc":[true,true,true],"a":7.043782865019325,...
false
-22.426209
-22.426209
-2.920742
0
true
-0.01818
2.5666
3.9432
1.3766
1.376601
false
false
false
NM
0
0
0
0
0
[ "Hg2+", "O2-", "Ho3+", "Tb3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249383
Sm2ReSi4Tc7
6
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.038972995521401,-0.004108113971265,0.0],[-0.004654515139477,7.681352854513462,0.0],[0.0,0.0,4.156678181987635]],"pbc":[true,true,true],"a":7.038974194318368,"b":7.6813542647148685,"c":4.156678181987635,"alpha":90.0,"beta":90....
false
-24.059344
-24.059344
-0.579048
0
true
-0.170685
0
null
null
9.518715
false
true
false
NM
0.000071
0
0.000071
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249384
NaYb(AgGe)2
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.550951508618058,0.019049912596306,-1.2385178802577341],[-1.280387347767799,3.9055969745717483,-3.93119411047782],[-0.16834595463516402,-0.01904990883397,5.6849508067121]],"pbc":[true,true,true],"a":5.687473260589199,"b":5.687...
false
-18.794869
-18.794869
-0.369991
0.048331
false
null
0
null
null
5.615782
false
true
false
NM
0.000001
0
0.000001
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249385
DyZn2CdIr2
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.82404642498676,-9.1079103e-9,2.87671293140487],[1.71860213685223,4.144203707960661,2.601176463407331],[0.17908116649236303,-0.013152742428096002,5.182844983004263]],"pbc":[true,true,true],"a":5.616662817023961,"b":5.185955714...
false
-29.648073
-29.648073
-0.543623
0
true
-0.011386
0
null
null
4.94153
false
true
false
NM
0.000003
0
0.000003
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249386
LuNp(IN)2
99
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.924748955276478,0.0,0.0],[0.0,3.924748955276478,0.0],[0.0,0.0,9.615619856928367]],"pbc":[true,true,true],"a":3.924748955276478,"b":3.924748955276478,"c":9.615619856928367,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":148.115...
false
-33.094828
-33.094828
-1.681668
0
true
-0.018774
0.3754
4.884
4.5086
4.584699
true
false
true
FM
2
0.013503
2
1
1
[ "N3-", "I-", "Lu3+", "Np5+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249387
HoTm(FeOs)2
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.537582346808459,-2.1339228e-9,2.5822924385974693],[1.490592412416809,4.28357739050752,2.6585917711387173],[0.011724848047158001,0.015565918732364,5.257244119645158]],"pbc":[true,true,true],"a":5.220908713289807,"b":5.25728173...
false
-34.122451
-34.122451
-0.322513
0
true
-0.047915
0
null
null
6.260275
false
true
true
FiM
5.014924
0.049201
5.014924
6
4
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249388
Yb(TiIr)2
139
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.96436080687974,0.023142193302300003,-4.74486773313226],[-0.504139381400685,3.9322439657717583,-4.744867728998454],[-0.020244672468798002,-0.023142192332548002,6.183001927998797]],"pbc":[true,true,true],"a":6.183078680815464,"...
false
-34.345267
-34.345267
-0.920547
0
true
-0.030536
0
null
null
5.622042
false
true
false
NM
0.000033
0
0.000033
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249389
CeCuPt3Au
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.592638662193383,-0.00797255812568,2.364815624645083],[1.438759782445101,4.361463189499305,2.364815624121435],[-0.011045639624718,-0.007972562208424001,5.1657099303974]],"pbc":[true,true,true],"a":5.165728059211209,"b":5.16572...
false
-41.899998
-41.899998
-0.777409
0
true
-0.052783
0
null
null
9.393795
false
true
false
NM
0.000027
0
0.000027
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249390
LaHoSe2
166
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.952725161071398,-0.003921984186060001,6.24027603650063],[1.807131918666721,3.51544046495134,6.240276034854697],[-0.006433809774566,-0.003921982530402,7.386815249067923]],"pbc":[true,true,true],"a":7.38681911194872,"b":7.38681...
false
-24.930881
-24.930881
-2.11857
0
true
-0.005846
0
null
null
7.218638
false
true
false
NM
0.002256
0.000022
0.002256
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249391
TbErUCo2
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.162082283754236,0.014657747394744002,-2.8299949831906592],[-0.624642221849881,3.294514817467118,-4.838611934719961],[0.0043637390769270005,-0.014657747614994,5.886928542745222]],"pbc":[true,true,true],"a":5.886949970799169,"b...
false
-34.460514
-34.460514
-0.148041
0
true
-0.024543
0
null
null
7.154641
false
true
false
NM
0.00762
0.000076
0.00762
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249392
Pr2NiRh3
166
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.720715845335374,0.10976909479987401,2.260132312196762],[1.468708704879151,4.487773068436292,2.260132313221412],[0.14777611325960302,0.10976909581880001,5.231779773414429]],"pbc":[true,true,true],"a":5.23501723160579,"b":5.235...
false
-24.45957
-24.45957
-0.593185
0
true
-0.002071
0
null
null
7.791665
false
true
false
NM
0.000002
0
0.000002
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249393
Dy2BeRu2
71
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.038788868762692,0.256730363063761,-2.222103727504589],[-1.016757387386867,3.3477659503766732,-4.260482609744472],[0.24680065912067303,-0.25673036656249204,5.501474562906759]],"pbc":[true,true,true],"a":5.512989091144246,"b":5...
false
-24.243407
-24.243407
-0.413278
0
true
-0.066085
0
null
null
6.145313
false
true
false
NM
0.000003
0
0.000003
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249394
Tb2MnTc3
166
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.704963520232787,0.110912054479709,2.897532810292286],[1.6728913301906772,4.398912381610021,2.897532824264331],[0.15685422200267501,0.11091204763696001,5.523383075449096]],"pbc":[true,true,true],"a":5.526724128927599,"b":5.526...
false
-25.824511
-25.824511
0.013854
0.147391
false
null
0
null
null
7.601193
false
true
false
NM
0.000487
0.000004
0.000487
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249395
HoZn2Cu2Au
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.360900298296232,-0.015570938643098001,2.536535033898799],[1.438952451390424,4.116686367903973,2.536535033898798],[6.3362479e-9,4.4804042e-9,5.073071044532575]],"pbc":[true,true,true],"a":5.044968170762465,"b":5.04496786781094...
false
-20.947129
-20.947129
-0.450279
0
true
-0.014067
0.1508
6.0937
5.9429
6.026648
false
false
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249396
Ce2ReMoC3
8
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.709640139221421,-0.018096366612777002,2.62858189206101],[4.7485636886660645,3.170407252078186,2.628581899877832],[-0.003440609725894,-0.00103657448129,5.745913523633912]],"pbc":[true,true,true],"a":6.28567902148718,"b":6.2856...
false
-24.659472
-24.659472
-0.372963
0
true
-0.007727
0
null
null
8.953836
false
true
true
FM
0.527911
0.00505
0.527911
2
2
[ "Re3+", "C4-", "Mo3+", "Ce3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249397
LiTbPdPb
216
Cubic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.166241012453444,-1.5379804e-9,2.405380986410793],[1.388747002701126,3.927969900362256,2.4053809864107922],[-4.3500642000000015e-9,-3.0759601000000002e-9,4.810760987890651]],"pbc":[true,true,true],"a":4.810761048278708,"b":4.8...
false
-28.948436
-28.948436
-0.733754
0
true
-0.013446
0.3773
7.1922
6.8149
6.962591
false
false
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249398
NpBr2O
71
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.183834297284727,0.008170984258023001,-0.8944275892619661],[-0.214019195756069,4.000799333211099,-0.9782441894934001],[-0.5516375026600661,-0.397273625610073,7.321531993062401]],"pbc":[true,true,true],"a":4.278380172980506,"b"...
false
-31.242964
-31.242964
-2.364338
0.04626
false
null
0.4131
2.6975
2.2844
2.39405
false
false
true
FM
2.999996
0.025233
2.999996
1
1
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249399
Nd2GaIrI2
156
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.357109263423051,1.1431922000000001e-9,0.0],[-2.178555629799544,3.773367937580267,0.0],[0.0,0.0,11.746072440109137]],"pbc":[true,true,true],"a":4.357109263423051,"b":4.357110306670012,"c":11.746072440109137,"alpha":90.0,"beta"...
false
-29.900979
-29.900979
-1.275059
0
true
-0.050479
0
null
null
4.057791
false
true
false
NM
0.000046
0
0.000046
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249400
PmTcGe2Pt
119
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.01291090237275,0.07601776858499201,-4.393359526015993],[-0.548671218504432,3.975951661459382,-4.393359527541686],[-0.064991828728758,-0.076017773452989,5.949860389023703]],"pbc":[true,true,true],"a":5.9507008441324105,"b":5.9...
false
-27.72945
-27.72945
-0.78206
0
true
-0.323258
0
null
null
7.898723
false
true
false
NM
0.000001
0
0.000001
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249401
YbPaBr6
146
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.387797720902044,-0.051048569374047004,4.489084600948172],[2.303789610067699,5.957667289641176,4.489676645405561],[-0.075553362668955,-0.052122276183773006,7.807049434742567]],"pbc":[true,true,true],"a":7.807589015443019,"b":7...
false
-25.909759
-25.909759
-1.792425
0.090193
false
null
0
null
null
3.102215
false
true
true
FM
1.999987
0.006644
1.999987
2
2
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249402
Tm2SiRhI2
156
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.118475609993656,-3.5034584e-9,0.0],[-2.059236810999483,3.566705451859412,0.0],[0.0,0.0,11.64418394946692]],"pbc":[true,true,true],"a":4.118475609993656,"b":4.118475934626664,"c":11.64418394946692,"alpha":90.0,"beta":90.0,"gam...
false
-26.725935
-26.725935
-1.347692
0
true
-0.074254
0
null
null
4.762638
false
true
false
NM
0.155635
0.00091
0.155635
0
0
[ "Tm2+", "I-", "Si4-", "Rh+", "Tm3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249403
Th(Re2Ge)2
65
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.419850952574716,0.05357760055647601,0.0],[-6.2574786849343305,3.987607407054267,0.0],[0.0,0.0,4.139779110501204]],"pbc":[true,true,true],"a":7.420044387852765,"b":7.420043957093619,"c":4.139779110501204,"alpha":90.0,"beta":90...
false
-44.779468
-44.779468
-0.370657
0
true
-0.079985
0
null
null
7.595981
false
true
false
NM
0.000009
0
0.000009
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249404
Ho2Al4CoNi
38
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.399427802049871,0.003214539602353,0.0],[-3.911644733391087,3.72194415506727,0.0],[0.0,0.0,6.902301462395129]],"pbc":[true,true,true],"a":5.399428758934963,"b":5.399428934036047,"c":6.902301462395129,"alpha":90.0,"beta":90.0,"...
false
-15.342053
-15.342053
-0.603674
0
true
-0.00074
0
null
null
6.175516
false
true
false
NM
0.000032
0
0.000032
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249405
TbY(CoOs)2
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.586201614745649,0.054004713234962004,2.621649393476314],[1.730589184554878,4.247496287443742,2.621649393476313],[-1.1525140800000001e-8,-7.848194900000001e-9,5.243299801892571]],"pbc":[true,true,true],"a":5.282916552668792,"b...
false
-30.93615
-30.93615
-0.272991
0
true
-0.01192
0
null
null
6.555843
false
true
true
FiM
2.995402
0.029468
2.995402
6
4
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249406
NpAl2ZnGa
107
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.917219040836931,8.245812100000001e-9,1.39674927436835],[-0.49803387545183603,3.885431766290035,1.396748305288395],[0.025690286723595003,0.029193098344744,6.119301670264519]],"pbc":[true,true,true],"a":4.158787509520524,"b":4....
false
-23.714869
-23.714869
-0.346512
0
true
-0.008212
0
null
null
8.1139
false
true
true
FM
4.231677
0.045592
4.231677
1
1
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249407
PrAl2ZnGa
107
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.949109606013669,-0.028346508601236,-4.817122001006072],[-0.5267443277685551,3.91397254577951,-4.81713883028823],[0.019889432732916,0.02255457507367,6.225467929017391]],"pbc":[true,true,true],"a":6.229039619189788,"b":6.229082...
false
-13.169111
-13.169111
-0.524805
0
true
-0.018667
0
null
null
5.992272
false
true
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249408
NaHoPt4
216
Cubic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.628070489171971,-3.5214162e-9,2.672018149290085],[1.542690489960495,4.363387337531422,2.672018149290085],[0.0,0.0,5.34403629858017]],"pbc":[true,true,true],"a":5.3440356887730545,"b":5.344036301830267,"c":5.34403629858017,"al...
false
-41.312624
-41.312624
-0.913226
0
true
-0.047688
0
null
null
7.461373
false
true
false
NM
0.000006
0
0.000006
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249409
KLa(PAu)2
164
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.307042737322099,-3.4747514000000003e-9,0.0],[-2.153520874641139,3.730007827244915,0.0],[0.0,0.0,8.92779913583503]],"pbc":[true,true,true],"a":4.307042737322099,"b":4.307041972029466,"c":8.92779913583503,"alpha":90.0,"beta":90...
false
-26.738339
-26.738339
-0.915486
0
true
-0.066736
0
null
null
6.521559
false
true
false
NM
0.000018
0
0.000018
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249410
CaYb2PuN4
139
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.611098602972335,5.954076e-9,3.877246853325137],[2.856217987076526,3.410185532776699,7.864071662308797],[0.050669669793049,-4.7696827e-9,5.925447748046214]],"pbc":[true,true,true],"a":6.82037174162067,"b":9.03498586980562,"c":...
false
-27.034027
-27.034027
-1.662977
0
true
-0.093366
0
null
null
6.832354
false
true
true
FM
3.752469
0.033292
3.752469
3
2
[ "Ca2+", "Yb3+", "N3-", "Pu4+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249411
ThGaPt3Au
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.775659573670336,3.2585489e-9,2.757227273276074],[1.591885864234827,4.5025350632977,2.75722727321815],[0.167573528688988,0.11849232770387001,5.224209902603221]],"pbc":[true,true,true],"a":5.514456147262988,"b":5.51445598741651...
false
-49.294384
-49.294384
-0.966692
0
true
-0.049281
0
null
null
9.444567
false
true
false
NM
0.000007
0
0.000007
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249412
LiYbGePd3
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.595280508940313,-0.005617140447035001,2.048762834625562],[1.327547691748568,4.399346134924335,2.048762833802119],[-0.007571908355401001,-0.005617160368127001,5.031297456515957]],"pbc":[true,true,true],"a":5.031308344820113,"b...
false
-21.079362
-21.079362
-0.801124
0.030331
false
null
0
null
null
6.883906
false
true
false
NM
0.000004
0
0.000004
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249413
CaYb(CuAs)2
164
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.145947961627102,8.4588674e-9,0.0],[-2.072974966319166,3.5904966179177262,0.0],[0.0,0.0,7.774676537323014]],"pbc":[true,true,true],"a":4.145947961627102,"b":4.145948766478497,"c":7.774676537323014,"alpha":90.0,"beta":90.0,"gam...
false
-16.687466
-16.687466
-0.908078
0.151082
false
null
0
null
null
5.613746
false
true
false
NM
0.000003
0
0.000003
0
0
[ "As3-", "Ca2+", "Cu+", "Yb2+" ]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249414
Pa2Al2CuRe
12
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.556567978276457,0.152549810270681,2.300439590961849],[1.492981628933492,4.717633938697763,2.4140637285793582],[0.022906872481520003,0.152550790840937,5.104293765794019]],"pbc":[true,true,true],"a":5.106623688596287,"b":5.5057...
false
-38.723166
-38.723166
-0.317559
0
true
-0.018756
0
null
null
10.215868
false
true
false
NM
0.000098
0.000001
0.000098
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249415
La2SbIrI2
156
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.564337904792707,5.2196972e-9,0.0],[-2.282169943352573,3.952832548420916,0.0],[0.0,0.0,11.819367868562178]],"pbc":[true,true,true],"a":4.564337904792707,"b":4.564338375514866,"c":11.819367868562178,"alpha":90.0,"beta":90.0,"ga...
false
-32.579028
-32.579028
-1.466928
0
true
-0.029026
0.3333
6.0928
5.7595
5.836859
false
false
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249416
TbHo(NiIr)2
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.647005926278931,-6.241667e-10,2.682950145571469],[1.5610834437374121,4.148099117952978,2.662025102479105],[0.11393129833389501,0.054932987504328006,5.168566671800483]],"pbc":[true,true,true],"a":5.365900256480125,"b":5.170114...
false
-32.856748
-32.856748
-0.725094
0
true
-0.007151
0
null
null
6.662756
false
true
false
NM
0.025242
0.000258
0.025242
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249417
PrYUAs3
156
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.163478338520918,1.283753863899999e-6,-0.0013499200112140001],[-2.081738057497013,3.6056786802022622,0.0013499200219090001],[-0.000559781148535,0.000323189798915,10.39837799414079]],"pbc":[true,true,true],"a":4.163478557362652...
false
-30.564958
-30.564958
-1.60126
0
true
-0.010914
0
null
null
5.468953
false
true
true
FM
2.713705
0.017384
2.713705
1
1
[ "As3-", "Y3+", "Pr3+", "U3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249418
TbDy(SbTe)2
99
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.262371884588898,0.0,0.0],[0.0,4.262371884588898,0.0],[0.0,0.0,9.319544523634699]],"pbc":[true,true,true],"a":4.262371884588898,"b":4.262371884588898,"c":9.319544523634699,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":169.315...
false
-28.848622
-28.848622
-1.272736
0
true
-0.028328
0
null
null
6.069181
false
true
false
NM
0.000001
0
0.000001
0
0
[ "Te2-", "Sb-", "Dy3+", "Tb3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249419
LiLa(AgAs)2
164
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.426815862459518,-6.6080397000000014e-9,0.0],[-2.213406942683895,3.833734653950886,0.0],[0.0,0.0,7.161247332699081]],"pbc":[true,true,true],"a":4.426815862459518,"b":4.426815073032212,"c":7.161247332699081,"alpha":90.0,"beta":...
false
-18.203281
-18.203281
-0.826897
0
true
-0.013537
0.4281
7.5301
7.102
7.259083
false
false
false
NM
0
0
0
0
0
[ "As3-", "Ag+", "La3+", "Li+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249420
SmZnCu3Ag
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.40920256773143,-0.014394549929014,2.52214838282133],[1.456163301287112,4.161833789007487,2.522148384737385],[-0.020356825502419,-0.014394547053325001,5.079555451000396]],"pbc":[true,true,true],"a":5.079616811465738,"b":5.0796...
false
-15.682847
-15.682847
-0.259548
0
true
-0.024345
0
null
null
5.761409
false
true
false
NM
0.000009
0
0.000009
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249421
Ce2Al4FeRu
38
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.135735189092843,0.077312768601925,0.0],[-3.351464942568627,3.892226733590758,0.0],[0.0,0.0,7.194993917115336]],"pbc":[true,true,true],"a":5.136317084903871,"b":5.136316404481437,"c":7.194993917115336,"alpha":90.0,"beta":90.0,...
false
-16.593555
-16.593555
-0.537608
0
true
-0.014151
0
null
null
8.860661
false
true
true
FM
0.010584
0.000073
0.010584
1
2
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249422
TmCdCu3Pt
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.432380873278659,0.040440491274502006,2.62507516056724],[1.515587804231378,4.165409161371555,2.625075161550288],[0.05719127271207101,0.040440494000879006,5.151092654754574]],"pbc":[true,true,true],"a":5.151568230914557,"b":5.1...
false
-23.717477
-23.717477
-0.508454
0
true
-0.017924
0
null
null
6.10402
false
true
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249423
HoTh2In3Ru2
12
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.318722844417655,0.042308818368334,1.202591934712183],[6.89873633692423,4.648695313379413,1.202591938950615],[0.08511351630031101,0.026237144278519003,5.104516416733855]],"pbc":[true,true,true],"a":8.405305893290421,"b":8.4053...
false
-37.884374
-37.884374
-0.582285
0
true
-0.056034
0
null
null
7.80061
false
true
false
NM
0.000001
0
0.000001
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249424
Yb2AlCu2
71
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.921259593521171,4.636031799999999e-9,-1.601402911305032],[-1.071440819471274,4.603920241350866,-2.6235718206900183],[-0.05970182000929201,-0.079271457828662,5.455389548883676]],"pbc":[true,true,true],"a":4.235654386764582,"b"...
false
-20.708659
-20.708659
-0.41177
0.030224
false
null
0
null
null
4.451646
false
true
false
NM
0.000009
0
0.000009
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249425
ErTm9Os4
1
Triclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.778272863030675,-0.0021309108947170003,-2.3539147754406082],[-0.365140547720598,7.216815074078259,-0.889602178995717],[-0.00464070804827,-0.001785140723242,8.256252649911591]],"pbc":[true,true,true],"a":6.239339435425481,"b":...
false
-40.529594
-40.529594
-0.389895
0.000014
false
null
0
null
null
3.775575
false
true
false
NM
0.004424
0.000013
0.004424
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249426
Er3Tm7OsRu3
1
Triclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.771808924385453,-0.002250950186626,-2.340229173456482],[-0.36329889335644805,7.158071702312503,-0.8662429673038601],[0.0038646123911890004,-0.002266344180579,8.303438712869522]],"pbc":[true,true,true],"a":6.228198448242405,"b...
false
-34.47965
-34.47965
-0.416616
0.000024
false
null
0
null
null
4.351939
false
true
false
NM
0.00096
0.000003
0.00096
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249427
Dy7Er(LuRu2)2
1
Triclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.839492445414314,0.002300734900169,-2.344913091627202],[-0.337599836429253,7.127693805877395,-0.8413209037496671],[0.004238514193917,-0.002353775900708,8.39889902764673]],"pbc":[true,true,true],"a":6.292717594228789,"b":7.1851...
false
-31.524
-31.524
-0.405717
0
true
-0.001726
0
null
null
4.653787
false
true
false
NM
0.000017
0
0.000017
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249428
Ho4Tm6Ru3Rh
1
Triclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.81793150062536,0.008808616906022,-2.3343023195211],[-0.34967978262898003,7.115624438696104,-0.8626115658290571],[-0.004339321663045,0.0016294648490730002,8.351378356722288]],"pbc":[true,true,true],"a":6.268761588752777,"b":7....
false
-32.108153
-32.108153
-0.489474
0
true
-0.000793
0
null
null
4.544576
false
true
false
NM
0.011072
0.000032
0.011072
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249429
Yb2ZnP2
36
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.868771592055842,0.015529017160424001,0.0],[-6.845127114800998,3.880983659836623,0.0],[0.0,0.0,6.844637629455989]],"pbc":[true,true,true],"a":7.868786915295076,"b":7.868786398530761,"c":6.844637629455989,"alpha":90.0,"beta":90...
false
-20.935283
-20.935283
-0.94058
0.072175
false
null
0
null
null
5.053407
false
true
false
NM
0.001758
0.000008
0.000879
0
0
[ "P3-", "Zn2+", "Yb2+" ]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249430
LaSn6RuRh3
8
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.045871206052864,-0.09620354523332601,-3.434652399183516],[-2.0920629531095,5.673188913292109,-3.43465240357293],[0.036749750899579006,0.051836997518507004,6.896584469368346]],"pbc":[true,true,true],"a":6.954038457293118,"b":6...
false
-25.683447
-25.683447
-0.587528
0
true
-0.023796
0
null
null
9.722266
false
true
false
NM
0.000127
0.000001
0.000127
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249431
CeRe2NiC
63
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.5925159364665245,0.013225024836753,0.0],[-4.304214596277123,3.570733952407181,0.0],[0.0,0.0,7.7146387998335895]],"pbc":[true,true,true],"a":5.592531573528573,"b":5.592531112982604,"c":7.7146387998335895,"alpha":90.0,"beta":90...
false
-31.819799
-31.819799
-0.301637
0
true
-0.031426
0
null
null
7.616539
false
true
true
FM
0.379607
0.002457
0.189803
2
1
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249432
LiYb2TcH6
225
Cubic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.392201713557775,2.1783216e-9,-2.535837779444103],[1.464067239906333,4.141006597542276,-2.535837779444101],[-6.1612264000000016e-9,-4.356644e-9,5.071676537465977]],"pbc":[true,true,true],"a":5.07167715220871,"b":5.071676425750...
false
-12.647839
-12.647839
-0.433759
0.168221
false
null
0
null
null
5.802117
false
true
false
NM
0.000198
0.000002
0.000198
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249433
Dy5GaTe4
12
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.629431391132394,0.021604287953856,3.533630212476398],[5.227608021459019,4.077001050461571,3.533629219622788],[0.027628919756966002,0.009550676931292001,10.643130723712016]],"pbc":[true,true,true],"a":7.512414378448222,"b":7.5...
false
-28.729338
-28.729338
-1.427269
0
true
-0.080048
0
null
null
5.984081
false
true
false
NM
0.000015
0
0.000015
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249434
CaYb3(MgSb2)2
8
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.952561924371127,0.001994215762528,0.017587618927116],[-7.755728223121966,4.471804508070493,-0.017587617911248],[0.014448978423954002,-0.0038652375456400003,7.340352987033442]],"pbc":[true,true,true],"a":8.95257942220764,"b":8...
false
-23.534732
-23.534732
-0.755702
0.266519
false
null
0
null
null
4.974038
false
true
false
NM
0.021921
0.000075
0.021921
0
0
[ "Mg2+", "Ca2+", "Sb3-", "Yb2+" ]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249435
Tm5HgTe4
12
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.5910246774785834,-0.011500014826055002,3.5940842572398752],[5.238361804330556,4.000162021791275,3.594084256976268],[-0.024225440010631,-0.008168094303399001,10.625383488950305]],"pbc":[true,true,true],"a":7.50727515131903,"b"...
false
-33.935079
-33.935079
-1.270884
0
true
-0.031854
0
null
null
5.968555
false
true
false
NM
0.000005
0
0.000005
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249436
Ca2TbPuN4
119
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.700738761982051,1.9528457000000002e-9,3.9280646017830563],[2.9035976233325,3.461506421052211,7.987509492351049],[0.053229238194311,1.5076e-11,6.023477194061479]],"pbc":[true,true,true],"a":6.923013357501611,"b":9.176775781918...
false
-22.5511
-22.5511
-1.529303
0
true
-0.067743
0
null
null
6.036952
false
true
true
FM
2.999957
0.025394
2.999957
1
1
[ "Ca2+", "N3-", "Tb4+", "Pu4+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249437
CeTh(NbSi3)2
187
Hexagonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.144443282604889,-8.562087999999999e-10,0.0],[-3.072220642784017,5.321243963584544,0.0],[0.0,0.0,5.7805696112237435]],"pbc":[true,true,true],"a":6.144443282604889,"b":6.14444277359088,"c":5.7805696112237435,"alpha":90.0,"beta"...
false
-21.307156
-21.307156
-0.664493
0
true
-0.001785
0
null
null
8.066816
false
true
false
NM
0.116993
0.000619
0.116993
0
0
[ "Si2.67-", "Th4+", "Nb4.50+", "Ce3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249438
Pr2Nd2SiI5
12
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.844405628643816,0.0031930048823150003,2.143249748086061],[8.87558417393616,4.258676540434558,2.143249745909291],[0.026212320708956002,0.0059678428725020004,9.03924036163366]],"pbc":[true,true,true],"a":10.075011258516051,"b":...
false
-26.376575
-26.376575
-1.455464
0
true
-0.005782
0
null
null
4.461596
false
true
false
NM
0.000009
0
0.000009
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249439
Nd2AlZnI
187
Hexagonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.32923612735864,2.4503729e-9,0.0],[-2.164618559465551,3.74922870199808,0.0],[0.0,0.0,16.990729520296817]],"pbc":[true,true,true],"a":4.32923612735864,"b":4.329236580260881,"c":16.990729520296817,"alpha":90.0,"beta":90.0,"gamma...
false
-20.643064
-20.643064
-0.835583
0
true
-0.028022
0
null
null
4.737548
false
true
false
NM
0.000005
0
0.000002
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249440
PrPu2O6
71
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.952950832404492,-0.009900816849901,-4.39399319734025],[-0.514011941660882,3.626724701285209,-5.515583376433003],[0.018815365493421003,0.009900822154555,6.621068512938142]],"pbc":[true,true,true],"a":6.621102339691107,"b":6.62...
false
-29.976294
-29.976294
-3.537199
0
true
-0.033315
0
null
null
6.818489
false
true
true
FM
7.000011
0.05858
7.000011
2
1
[ "Pr4+", "O2-", "Pu4+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249441
LiTmFeH6
216
Cubic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.989779604291447,0.0,2.3035000497360962],[1.329926534763815,3.761599211355691,2.3035000497360962],[0.0,0.0,4.607000099472193]],"pbc":[true,true,true],"a":4.607000517685473,"b":4.606999641184579,"c":4.607000099472193,"alpha":59...
false
-8.625464
-8.625464
-0.55304
0
true
-0.099015
2.2008
4.276
2.0752
2.173021
false
false
false
NM
0
0
0
0
0
[ "Tm3+", "Fe2+", "Li+", "H-" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249442
CeB2OsRu
22
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.650436971702327,-0.003028688068447,3.6064180801677233],[3.165198035291931,4.686409740249899,1.952570818894947],[-0.004718131915094,0.008902269426542,5.558989889323988]],"pbc":[true,true,true],"a":6.703260289821112,"b":5.98276...
false
-25.369683
-25.369683
-0.581063
0
true
-0.001102
0
null
null
8.33915
false
true
false
NM
0.000669
0.000005
0.000335
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249443
LiPrZnPt3
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.713545296530235,-1.4362799e-9,2.8812113627602662],[1.476184867611706,4.476425615019665,2.881211365963887],[0.08133638790502101,0.058822349680141,5.163126659366633]],"pbc":[true,true,true],"a":5.524390299330883,"b":5.524390191...
false
-33.458875
-33.458875
-0.931473
0
true
-0.042196
0
null
null
6.43104
false
true
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249444
SmCuAgPt3
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6634066690636065,3.6270440000000004e-9,2.692419210948489],[1.554468565002535,4.3967015248078765,2.69241920661794],[0.11898036507363001,0.08413228895862401,5.178758585089987]],"pbc":[true,true,true],"a":5.384838249061099,"b":5...
false
-36.812932
-36.812932
-0.746474
0
true
-0.022613
0
null
null
7.596381
false
true
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249445
Sm2PaRh3
166
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.905440774933623,-0.006324490603530001,2.133056050476385],[1.3960464380090671,4.702599757703147,2.133056047290493],[-0.008486816753750001,-0.006324488420744001,5.34912977980341]],"pbc":[true,true,true],"a":5.34914173583358,"b"...
false
-35.631912
-35.631912
-0.843486
0
true
-0.097238
0
null
null
8.480546
false
true
false
NM
0.00015
0.000001
0.00015
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249446
DyGaCu3Ag
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.39899857683481,2.4420076000000004e-9,2.539762825840053],[1.466332859445179,4.14741497011828,2.539762828961387],[0.027518099835062003,0.019457974784489,5.031864030624647]],"pbc":[true,true,true],"a":5.079525931670566,"b":5.079...
false
-16.565138
-16.565138
-0.344997
0
true
-0.027451
0
null
null
6.89263
false
true
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249447
YbGeAsRu2
107
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.937536365610812,0.031548035787471,-4.233794453037166],[-0.585787759716281,3.893846249397558,-4.233794453472381],[-0.026937700570611,-0.031548045666543005,5.781737948644486]],"pbc":[true,true,true],"a":5.781885797872345,"b":5....
false
-23.937854
-23.937854
-0.746263
0.070957
false
null
0
null
null
7.768603
false
true
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249448
CeAgPt4
216
Cubic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.63099526764366,4.5757046e-9,2.673705785873332],[1.5436647629448241,4.366144135960506,2.673705785873332],[4.7371181e-9,3.3496485e-9,5.347412555292967]],"pbc":[true,true,true],"a":5.347412439521614,"b":5.34741228499845,"c":5.34...
false
-43.833063
-43.833063
-0.808501
0
true
-0.068958
0
null
null
9.429278
false
true
false
NM
0.000055
0.000001
0.000055
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249449
ErCu3AgPt
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.330529909173052,6.8660652e-9,2.500232308639793],[1.4435096442181081,4.082862167633491,2.500232314492809],[-0.07943732166735301,-0.056170487991825,5.138053745121766]],"pbc":[true,true,true],"a":5.000465067512084,"b":5.00046449...
false
-23.701971
-23.701971
-0.483735
0
true
-0.006463
0
null
null
7.171637
false
true
false
NM
0.000006
0
0.000006
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249450
ScPa(NiSn)2
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.225974217411486,-0.013470877964807,6.344674909628291],[1.909583330141188,3.769951076055099,6.344674909439234],[-0.022002457684428003,-0.013470879177667,7.623205795809566]],"pbc":[true,true,true],"a":7.623249914547373,"b":7.62...
false
-27.599186
-27.599186
-0.647468
0
true
-0.169249
0.2593
8.3367
8.0774
8.132669
false
false
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249451
CePrGeBr2
156
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.353421608962885,-5.9465006000000015e-9,3e-16],[-2.176711314893307,3.770176473530067,1e-16],[1e-16,3e-16,10.207523668054607]],"pbc":[true,true,true],"a":4.353421608962885,"b":4.353424260274223,"c":10.207523668054607,"alpha":90...
false
-21.810137
-21.810137
-1.683272
0
true
-0.080865
0.1293
3.3622
3.2329
3.314531
false
false
true
FM
1.001916
0.00598
1.001916
1
1
[ "Br-", "Pr3+", "Ge4-", "Ce3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249452
NaLaNiPt3
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.644197254440969,-0.0067303762027120006,2.4030386293697372],[1.459330865197902,4.408964372707088,2.403037645958308],[-0.009331762727233,-0.0067303737521220005,5.229061234841496]],"pbc":[true,true,true],"a":5.2290733491091945,"...
false
-34.081072
-34.081072
-0.788767
0
true
-0.00845
0
null
null
8.516111
false
true
true
FM
0.580124
0.005408
0.580124
1
1
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249453
PrCuHgPd3
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.7304685686858035,-4.5287490000000007e-10,2.731138018859694],[1.576822855376641,4.459929503220327,2.73113801959579],[0.132805968035231,0.09390774758915,5.232249346040432]],"pbc":[true,true,true],"a":5.4622749617156,"b":5.46227...
false
-27.012356
-27.012356
-0.595703
0
true
-0.075828
0
null
null
6.950799
false
true
false
NM
0.000007
0
0.000007
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249454
Tb3UN4
139
Tetragonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.712052896403105,7.288453e-10,3.9470947399354133],[2.924076789082596,3.471566748120615,7.981722991161059],[0.068050839974924,-2.3435606000000003e-9,6.008175121239096]],"pbc":[true,true,true],"a":6.9431336712851,"b":9.182042401...
false
-28.155534
-28.155534
-1.888492
0
true
-0.01036
0
null
null
7.183418
false
true
true
FM
1.82259
0.015418
1.82259
4
3
[ "U3+", "N3-", "Tb3+" ]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249455
TbMgCuNi3
160
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.286737471797624,4.3935959000000006e-9,2.49943430715482],[1.414705651938992,4.046570037180304,2.4994343081630293],[0.007559401228884001,0.005365100604418,4.9128084769442735]],"pbc":[true,true,true],"a":4.96218601101333,"b":4.9...
false
-14.02353
-14.02353
-0.325583
0
true
-0.051856
0
null
null
5.886217
false
true
false
NM
0
0
0
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249456
TmLu(FeCo)2
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.430114154530685,-0.06743816740852801,-2.381312879940623],[-1.514680375134226,4.108558381665027,-2.475200132284923],[-0.018722950323228002,0.06743817406463201,5.029534401008007]],"pbc":[true,true,true],"a":5.030020910569622,"b...
false
-21.609391
-21.609391
-0.193363
0
true
-0.002966
0
null
null
6.797714
false
true
true
FiM
6.341634
0.069061
6.341634
6
4
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249457
La2CoBr
194
Hexagonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.040534116994149,0.0,0.0],[-2.020267058497074,3.499205521574123,0.0],[0.0,0.0,15.796800903921627]],"pbc":[true,true,true],"a":4.040534116994149,"b":4.040534403994507,"c":15.796800903921627,"alpha":90.0,"beta":90.0,"gamma":119....
false
-22.364655
-22.364655
-0.868988
0
true
-0.069264
0
null
null
7.570053
false
true
false
NM
0.000068
0
0.000034
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249458
HoTh(ZnGa)2
164
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.362277502727156,-5.5620997000000024e-9,0.0],[-2.181138261017114,3.777843096938949,0.0],[0.0,0.0,7.536786656128925]],"pbc":[true,true,true],"a":4.362277502727156,"b":4.362277223969383,"c":7.536786656128925,"alpha":90.0,"beta":...
false
-25.1077
-25.1077
-0.597139
0.000234
false
null
0
null
null
5.070003
false
true
false
NM
0.000009
0
0.000009
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249459
TbTm(ZnGa)2
164
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.350821903479611,8.7288657e-9,0.0],[-2.17541143666735,3.7679222116992213,0.0],[0.0,0.0,7.175306532144799]],"pbc":[true,true,true],"a":4.350821903479611,"b":4.350822073148873,"c":7.175306532144799,"alpha":90.0,"beta":90.0,"gamm...
false
-18.487367
-18.487367
-0.644993
0
true
-0.021184
0
null
null
4.00751
false
true
false
NM
0.000011
0
0.000011
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249460
Ce2NpRu3
166
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.779593622750804,-0.056398377093827,2.105070534970799],[1.351229870242957,4.584961863460047,2.105070534933512],[-0.076353034463694,-0.056398378545277,5.222069213265754]],"pbc":[true,true,true],"a":5.222931928790688,"b":5.22293...
false
-37.277586
-37.277586
-0.447741
0
true
-0.196468
0
null
null
11.532481
false
true
true
FiM
3.032156
0.026142
3.032156
6
3
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249461
Np2Al3Ga
166
Trigonal
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.785092232779994,-0.054153570637785,2.74722210918639],[1.565073376902963,4.5222322169342695,2.747222110690185],[-0.07696455584163,-0.0541535586695,5.51710082134992]],"pbc":[true,true,true],"a":5.51790445754788,"b":5.5179043326...
false
-33.341875
-33.341875
-0.39396
0.027462
false
null
0
null
null
9.483712
false
true
true
FM
8.808749
0.072619
8.808749
2
1
[]
true
null
null
null
null
null
null
null
false
false
false
true
true
mp-3249462
AcEuCd4
44
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6440342619715285,-1.2260555e-9,-2.063858038152728],[2.5036819009522002,5.810156003325935,-0.6231518561329501],[0.044526871495067004,-0.021979083154041002,6.357058161962583]],"pbc":[true,true,true],"a":5.081984280575164,"b":6....
false
-31.649779
-31.649779
-0.386727
0
true
-0.000049
0
null
null
3.401011
false
true
true
FM
7.74612
0.045006
7.74612
1
1
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249463
Dy2ReTcC3
8
Monoclinic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.5795014387513975,0.019774406958779002,2.378311132343609],[4.593703449390182,3.166877509743403,2.378311131742985],[0.025868381233653003,0.008102686809848,5.680961945248649]],"pbc":[true,true,true],"a":6.065277501848454,"b":6.0...
false
-25.063874
-25.063874
-0.466647
0
true
-0.002558
0
null
null
6.467645
false
true
false
NM
0.000001
0
0.000001
0
0
[]
true
null
null
null
null
null
null
null
false
false
false
false
true
mp-3249464
SmPa(CoSi2)2
38
Orthorhombic
{"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.39784436053361,-0.055818270359183006,0.0],[-7.415627609875181,3.941497125263758,0.0],[0.0,0.0,3.974731505341643]],"pbc":[true,true,true],"a":8.39802986319125,"b":8.398031462003793,"c":3.974731505341643,"alpha":90.0,"beta":90....
false
-21.745766
-21.745766
-0.726708
0
true
-0.068803
0
null
null
9.219153
false
true
false
NM
0.000014
0
0.000014
0
0
[ "Co4+", "Sm3+", "Pa5+", "Si4-" ]
true
null
null
null
null
null
null
null
false
false
false
false
true