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e_above_hull
float64
0
0.1
e_form
float64
-6.19
0.1
mat_id
stringlengths
12
12
formula
stringlengths
1
18
⌀
elements
stringlengths
5
40
spg
int64
1
229
band_gap_dir
float64
0
18
band_gap_ind
float64
0
17.7
nsites
int64
1
20
structure
stringlengths
494
5.93k
0
-1.73807
agm003187479
RbSmSe2
['Se', 'Rb', 'Sm']
166
2.4949
1.8964
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[8.39405662, -0.00019345, -0.000117], [7.27786854, 4.1824414, -0.000117], [7.27786839, 1.9421896, 3.70414744]], 'pbc': [True, True, True], 'a': 8.39405662304453, 'b': 8.394056621422369, 'c': 8.394056051860025, 'alpha': 29....
0.047707
-0.435735
agm002248267
NdAl2Os
['Nd', 'Os', 'Al']
63
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.12207533, -0.01242838, 0.0], [-2.05576695, 5.33444731, 0.0], [0.0, 0.0, 7.40779393]], 'pbc': [True, True, True], 'a': 4.122094066227024, 'b': 5.716861538980854, 'c': 7.40779393, 'alpha': 90.0, 'beta': 90.0, 'gamma': 111...
0.084826
-0.31418
agm005798120
KAgTe3
['K', 'Ag', 'Te']
14
0.047
0
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.87054896, 0.0, 0.25100726], [0.0, 8.93319126, 0.0], [-1.66909597, 0.0, 13.31831857]], 'pbc': [True, True, True], 'a': 5.875912672626252, 'b': 8.93319126, 'c': 13.42249942779202, 'alpha': 90.0, 'beta': 94.69494945589899,...
0.074294
-0.200315
agm006099889
Pm(H2Pd)6
['Pm', 'H', 'Pd']
148
0
0
19
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.86685699, -0.30820046, -2.18755655], [-3.0535377, 5.01905427, -2.1875565], [-0.18405747, -0.30820056, 6.25871787]], 'pbc': [True, True, True], 'a': 6.269003279956389, 'b': 6.26900324543055, 'c': 6.269004236216822, 'alph...
0.033952
-0.459576
agm006101158
Ca5NdGa6
['Ca', 'Nd', 'Ga']
71
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.01635974, -0.00320073, -1.40541825], [-3.76268834, 7.27102101, -3.79807713], [-0.19429594, -1.08364993, 8.95761729]], 'pbc': [True, True, True], 'a': 5.209517803328679, 'b': 9.025018557169975, 'c': 9.025018315615567, 'a...
0.068821
-0.288975
agm005865511
Pm3InNi
['Pm', 'In', 'Ni']
12
0.0447
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.04773154, 4e-08, 1.40964614], [2.21592252, 5.8100992, 1.80752003], [0.08744353, -0.38585495, 9.42928096]], 'pbc': [True, True, True], 'a': 5.240867861330571, 'b': 6.475700270035279, 'c': 9.437577540661422, 'alpha': 75.7...
0.084404
-0.465524
agm005934119
Nd2InBi4
['Nd', 'Bi', 'In']
139
0
0
7
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.15937082, 0.01921949, -3.53689072], [-2.04760925, 5.8090892, -3.53689072], [-0.20815062, -0.29504801, 6.78276995]], 'pbc': [True, True, True], 'a': 7.1026624763031965, 'b': 7.102662665470206, 'c': 6.7923742685039326, 'a...
0.04346
-0.365788
agm003577226
Ac6MgPb3
['Ac', 'Mg', 'Pb']
63
0.0305
0
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[9.67164585, -0.0, 0.0], [0.0, 8.89629787, 1.11318368], [0.0, -0.90009652, 8.92037667]], 'pbc': [True, True, True], 'a': 9.67164585, 'b': 8.965673075524496, 'c': 8.965673074565924, 'alpha': 88.62955201624399, 'beta': 90.0,...
0.014233
-0.058656
agm002060525
CuTe
['Te', 'Cu']
12
0.1343
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.18912154, -0.02333675, -0.00753679], [-1.06894742, 4.05046403, 0.00587338], [-0.90103669, -1.18559683, 5.60011984]], 'pbc': [True, True, True], 'a': 4.189193321392084, 'b': 4.189145729339232, 'c': 5.794725979922935, 'al...
0.007326
-3.187799
agm004889895
NdTmV2O8
['Nd', 'Tm', 'V', 'O']
119
3.01
3.01
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.06277283, -0.0005636, -0.0], [-2.68948464, 5.43358878, 0.0], [-1.68664409, -2.71651259, 5.15101987]], 'pbc': [True, True, True], 'a': 6.062772856196344, 'b': 6.062772852329025, 'c': 6.062772850692598, 'alpha': 106.15012...
0.055744
-0.176825
agm002218971
LiMgNiPb
['Pb', 'Ni', 'Mg', 'Li']
216
0
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.56859421, 0.0, 0.0], [2.28429711, 3.95651865, -0.0], [2.28429711, 1.31883955, 3.73024155]], 'pbc': [True, True, True], 'a': 4.56859421, 'b': 4.568594216446912, 'c': 4.568594211214753, 'alpha': 59.99999994496443, 'beta':...
0.053902
-1.306489
agm001108974
Eu3ZnO
['Eu', 'Zn', 'O']
221
0
0
5
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.01605452, 0.0, 0.0], [0.0, 5.01605452, 0.0], [0.0, 0.0, 5.01605452]], 'pbc': [True, True, True], 'a': 5.01605452, 'b': 5.01605452, 'c': 5.01605452, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 126.2079593522006...
0.038105
-0.130439
agm001134355
LaTm2Ag
['Tm', 'Ag', 'La']
123
0.0217
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.61300336, 0.0, 0.0], [0.0, 3.61300336, 0.0], [0.0, 0.0, 8.71809484]], 'pbc': [True, True, True], 'a': 3.61300336, 'b': 3.61300336, 'c': 8.71809484, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 113.8042078313135...
0.090855
-1.425327
agm004933328
Cs2CaNdI6
['Cs', 'Ca', 'Nd', 'I']
225
0.0031
0
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[8.83705851, 0.0, 0.0], [0.0, 8.84780128, 0.0], [0.0, 0.0, 12.50872256]], 'pbc': [True, True, True], 'a': 8.83705851, 'b': 8.84780128, 'c': 12.50872256, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 978.03872416315...
0.027251
-0.655588
agm002152149
SrGe2Rh
['Sr', 'Ge', 'Rh']
63
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.34839153, 0.0, 0.0], [0.0, 4.52961774, 0.00262321], [0.0, -2.25969279, 8.78031529]], 'pbc': [True, True, True], 'a': 4.34839153, 'b': 4.529618499581771, 'c': 9.066429732644806, 'alpha': 104.39920488319461, 'beta': 90.0,...
0.03812
-1.856806
agm004678527
Ba3U2AgS9
['Ba', 'U', 'Ag', 'S']
164
0.002
0
15
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.26016168, 0.0, 0.0], [-3.63008084, 6.28748445, 0.0], [0.0, 0.0, 8.9998573]], 'pbc': [True, True, True], 'a': 7.26016168, 'b': 7.260161679599629, 'c': 8.9998573, 'alpha': 90.0, 'beta': 90.0, 'gamma': 120.00000000182423, ...
0.034426
0.006886
agm005787265
Tm4MgSc
['Tm', 'Mg', 'Sc']
123
0
0
6
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.45167255, -0.00066036, 0.00015439], [0.00065991, 3.45167254, 0.00015439], [-0.00084963, -0.00084963, 14.12507878]], 'pbc': [True, True, True], 'a': 3.4516726166215568, 'b': 3.451672606535494, 'c': 14.125078831105636, 'a...
0.039697
-0.568341
agm002186570
SmSi2
['Si', 'Sm']
191
0
0
3
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.13234889, 0.0, 0.0], [0.0, 4.09389005, 0.0], [0.0, 2.04694502, 3.54541278]], 'pbc': [True, True, True], 'a': 4.13234889, 'b': 4.09389005, 'c': 4.093890044382009, 'alpha': 60.00000003540782, 'beta': 90.0, 'gamma': 90.0, ...
0.047984
0.046758
agm005637488
Pr2Sm6Er
['Pr', 'Sm', 'Er']
191
0
0
9
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.5117939, 0.49147151, 0.2481366], [-0.90855311, 8.77523281, -4.5221974], [2.88820444, -0.06791008, 10.15439998]], 'pbc': [True, True, True], 'a': 3.5546887927747557, 'b': 9.913649628061199, 'c': 10.55737541342664, 'alpha...
0.005403
-0.688998
agm004512281
Nd2MnGe3Ir4
['Nd', 'Mn', 'Ge', 'Ir']
115
0
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.19181819, 0.0, 0.0], [0.0, 4.19181819, 0.0], [0.0, 0.0, 10.55067912]], 'pbc': [True, True, True], 'a': 4.19181819, 'b': 4.19181819, 'c': 10.55067912, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 185.38956728429...
0
-0.746989
agm005701221
ThGe2Pd
['Th', 'Ge', 'Pd']
71
0.0355
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.33165628, -0.0, -1.00640484], [-0.96789873, 7.6560304, -4.16592228], [-0.01213389, 0.29364206, 9.77289526]], 'pbc': [True, True, True], 'a': 4.447032362153312, 'b': 8.769637271875055, 'c': 9.777313263551395, 'alpha': 11...
0.092092
-2.773797
agm004886388
SmZr(GeO4)2
['Sm', 'Zr', 'Ge', 'O']
119
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.92049232, 0.11688078, -0.0], [-2.5211189, 5.35815733, 0.0], [-1.69968671, -2.73751905, 4.96819333]], 'pbc': [True, True, True], 'a': 5.921645922200381, 'b': 5.9216459266803465, 'c': 5.921645921998378, 'alpha': 107.22339...
0.023329
0.020832
agm005649833
Pr5Dy5Tm2
['Pr', 'Dy', 'Tm']
12
0.0038
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.96921456, -1e-08, 1.12108204], [2.65732256, 10.46387243, -0.20502058], [0.82224196, -1.31220314, 7.92900535]], 'pbc': [True, True, True], 'a': 5.094106230117954, 'b': 10.797963829232927, 'c': 8.078804661689693, 'alpha':...
0
-0.235536
agm003774341
CuMoPt6
['Cu', 'Mo', 'Pt']
123
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.95541475, 0.0, 0.0], [0.0, 3.95541475, 0.0], [0.0, 0.0, 7.78519417]], 'pbc': [True, True, True], 'a': 3.95541475, 'b': 3.95541475, 'c': 7.78519417, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 121.8017438486050...
0.026355
-0.500631
agm005732859
Dy6Ni2Pt
['Dy', 'Ni', 'Pt']
71
0.0142
0
18
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.75550304, 0.14188761, -2.72964726], [-4.06374158, 6.70147039, -2.48902055], [0.00825967, -0.14188661, 8.2218447]], 'pbc': [True, True, True], 'a': 8.223073249177965, 'b': 8.223072680901582, 'c': 8.223073044985306, 'alph...
0.088891
0.032425
agm003176437
CoReNi2
['Re', 'Co', 'Ni']
139
0.0012
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.50224509, -0.00614534, -0.01837697], [1.74748204, 4.1492837, 0.01837697], [-3.11529236, -2.08600617, 2.4928133]], 'pbc': [True, True, True], 'a': 4.50228678880624, 'b': 4.5022867985319, 'c': 4.502286794309013, 'alpha': ...
0.07039
0.068773
agm004741409
La2TbHo2Tm
['La', 'Tb', 'Ho', 'Tm']
51
0.0016
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.68893254, 0.0, 0.0], [0.0, 7.06238145, 0.0], [0.0, 0.0, 9.84047968]], 'pbc': [True, True, True], 'a': 5.68893254, 'b': 7.06238145, 'c': 9.84047968, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 395.3650028462621...
0.023804
-0.644404
agm004517218
Pr2Ni4Sb3Pt
['Pr', 'Ni', 'Sb', 'Pt']
115
0
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.34681231, 0.0, 0.0], [0.0, 4.34681231, 0.0], [0.0, 0.0, 10.28417532]], 'pbc': [True, True, True], 'a': 4.34681231, 'b': 4.34681231, 'c': 10.28417532, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 194.31720195740...
0.019946
-0.157804
agm005657804
Pm2YCd
['Pm', 'Y', 'Cd']
139
0.0037
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.02060711, 0.01779087, -1.39577691], [-0.40046213, 5.00464264, -1.39577678], [-0.00241572, -0.00262572, 9.73525967]], 'pbc': [True, True, True], 'a': 5.21104648324375, 'b': 5.2110469860919, 'c': 9.735260323814517, 'alpha...
0.045999
-0.640676
agm003715837
SmSi3Pd
['Sm', 'Si', 'Pd']
107
0
0
5
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.32155266, 0.0, 0.0], [0.0, 4.32155266, -0.0], [-2.16077633, -2.16077633, 4.77982682]], 'pbc': [True, True, True], 'a': 4.32155266, 'b': 4.32155266, 'c': 5.673151956872639, 'alpha': 112.3880519401065, 'beta': 112.3880519...
0.093016
-1.607275
agm003469341
TlAg2F5
['Tl', 'Ag', 'F']
8
0.3611
0.3611
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.38183653, -0.39951719, -0.42958179], [-0.33217396, 6.35945202, 0.53860491], [-3.50649853, -2.4567137, 4.94187974]], 'pbc': [True, True, True], 'a': 6.408743402184826, 'b': 6.390857906686728, 'c': 6.538589259869618, 'alp...
0.021342
-0.543876
agm005722229
Pm3Hg2Ir
['Pm', 'Hg', 'Ir']
65
0.0232
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.1768095, 1e-08, 0.02123967], [2.58840526, 7.83409545, 0.01061983], [-0.03113699, -0.0, 7.58684045]], 'pbc': [True, True, True], 'a': 5.176853071400806, 'b': 8.250636708187775, 'c': 7.586904344059076, 'alpha': 90.0000221...
0.018268
0.010832
agm004660066
Tb2Pr6Dy3Ho
['Tb', 'Pr', 'Dy', 'Ho']
12
0.0058
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.31024259, -0.00099629, 0.00782011], [-3.15444838, 5.46521894, 0.00782011], [-1.06340745, -1.84127819, 11.7089608]], 'pbc': [True, True, True], 'a': 6.310247514271058, 'b': 6.310247522747405, 'c': 11.90045813377039, 'alp...
0.074656
-0.330789
agm003532836
V(InPd4)2
['V', 'In', 'Pd']
12
0.0019
0
11
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.08390554, -0.0, 0.0], [-0.0, 6.37751862, 0.28784822], [-2.04195277, -2.45453342, 6.66902084]], 'pbc': [True, True, True], 'a': 4.08390554, 'b': 6.384011305300444, 'c': 7.393926182290562, 'alpha': 106.91544947233952, 'be...
0.094123
0.020661
agm003356024
Na2Mg3Tl8
['Na', 'Mg', 'Tl']
12
0.0239
0
13
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.15817179, -0.0, 0.63654635], [-0.0, 8.50901484, -0.0], [-1.57131592, -4.25450742, 7.04355586]], 'pbc': [True, True, True], 'a': 6.190983043980182, 'b': 8.50901484, 'c': 8.377442704084633, 'alpha': 120.52090888347544, 'b...
0.006205
-1.074413
agm004603145
Dy6Sn2BiTe3
['Dy', 'Sn', 'Bi', 'Te']
12
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.40625467, 0.0, -0.0], [0.0, 8.80742524, 0.33272806], [-2.20312734, -2.5205732, 9.25068007]], 'pbc': [True, True, True], 'a': 4.40625467, 'b': 8.81370792119301, 'c': 9.83779147422372, 'alpha': 102.7403077717695, 'beta': ...
0.055381
-0.222497
agm003262054
Sc5Tl3
['Sc', 'Tl']
65
0.0063
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.33747768, -0.4840053, 0.0], [-1.26873568, 6.22801688, 0.0], [0.0, 0.0, 4.87661859]], 'pbc': [True, True, True], 'a': 6.355933013722397, 'b': 6.3559330143787705, 'c': 4.87661859, 'alpha': 90.0, 'beta': 90.0, 'gamma': 105...
0.048537
-0.98244
agm004719451
Na4CdSb3S8
['Na', 'Cd', 'Sb', 'S']
166
0
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.86895114, 0.0, -0.0], [0.0, 8.14744546, 0.18776759], [-3.93447557, -3.92953597, 5.56784269]], 'pbc': [True, True, True], 'a': 7.86895114, 'b': 8.149608836719038, 'c': 7.869067490563104, 'alpha': 118.8769452070526, 'beta...
0.015501
-1.855538
agm004963278
PmTl2InCl6
['Pm', 'Tl', 'In', 'Cl']
146
3.6344
3.5801
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.89648024, 0.00338515, 0.00055228], [3.95114801, 6.83661048, 0.00023088], [3.94935146, 2.28034205, 6.68799119]], 'pbc': [True, True, True], 'a': 7.896480984904869, 'b': 7.896253130787942, 'c': 8.094847927979867, 'alpha':...
0.0882
-1.848993
agm004948616
PuTl2CdO6
['Pu', 'Tl', 'Cd', 'O']
148
0.016
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.1012918, 0.00021484, -3.228e-05], [3.05081436, 5.28424244, -0.00015177], [3.05082533, 1.76181073, 4.95250716]], 'pbc': [True, True, True], 'a': 6.101291803867888, 'b': 6.101695374804735, 'c': 6.077733081697814, 'alpha':...
0.089538
-0.288436
agm001918648
PuUZnRh
['Rh', 'Zn', 'U', 'Pu']
216
0.0264
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.70703974, 0.0, 0.0], [2.35351987, 4.07641599, 0.0], [2.35351987, 1.35880533, 3.84328186]], 'pbc': [True, True, True], 'a': 4.70703974, 'b': 4.7070397387330924, 'c': 4.70703974475745, 'alpha': 60.00000003640182, 'beta': ...
0.056662
-0.374991
agm004525462
Ba2SrCd3Pb4
['Ba', 'Sr', 'Cd', 'Pb']
115
0.2518
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.09400437, 0.0, 0.0], [0.0, 5.09400437, 0.0], [0.0, 0.0, 13.34056331]], 'pbc': [True, True, True], 'a': 5.09400437, 'b': 5.09400437, 'c': 13.34056331, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 346.17268342175...
0.025757
-0.029738
agm006042526
Tb15Pr4In
['Tb', 'Pr', 'In']
123
0.0001
0
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.0271599, 0.0, 0.0], [0.0, 5.0271599, 0.0], [0.0, -9.9e-07, 25.43533886]], 'pbc': [True, True, True], 'a': 5.0271599, 'b': 5.0271599, 'c': 25.43533886000002, 'alpha': 90.00000223007926, 'beta': 90.0, 'gamma': 90.0, 'volu...
0.066323
-0.738387
agm005753583
Sm2SbPd6
['Sm', 'Sb', 'Pd']
12
0
0
9
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.8574612, 0.0, 0.0], [-2.9287306, 4.83507928, 1.06300998], [0.0, 0.04117745, 6.25344839]], 'pbc': [True, True, True], 'a': 5.8574612, 'b': 5.75199485299155, 'c': 6.253583960320841, 'alpha': 79.02748092681227, 'beta': 90....
0.086097
-0.287357
agm004706875
RbCu4(GeI4)3
['Rb', 'Cu', 'Ge', 'I']
155
0
0
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[9.81610121, -0.18193059, -0.25275127], [-2.54169494, 9.4830759, -0.25275127], [-2.54169494, -3.24984241, 8.91241471]], 'pbc': [True, True, True], 'a': 9.821039909756392, 'b': 9.821039909178102, 'c': 9.82103990526872, 'alp...
0
-0.680479
agm005901536
Pr2ErSi2
['Pr', 'Er', 'Si']
127
0
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.44105682, 0.0, 0.0], [0.0, 7.60977368, 0.0], [0.0, 0.0, 7.60977368]], 'pbc': [True, True, True], 'a': 4.44105682, 'b': 7.60977368, 'c': 7.60977368, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 257.1756292713082...
0.042782
0.012193
agm003469543
Sm5Y2Mg
['Sm', 'Y', 'Mg']
139
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.1406768, -0.00054962, -0.00046908], [-0.00038688, 7.14044204, -0.00033186], [-3.57037087, -3.57015192, 5.01695516]], 'pbc': [True, True, True], 'a': 7.140676836559432, 'b': 7.140442058192655, 'c': 7.11782073100151, 'alp...
0.024586
-1.770662
agm004850542
Sm4SiAsS2
['Sm', 'Si', 'As', 'S']
10
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.13277987, -2.05e-06, -1.25e-06], [4.342e-05, 7.12681101, -0.13278096], [3.894e-05, 2.51765494, 6.71001258]], 'pbc': [True, True, True], 'a': 4.1327798700006975, 'b': 7.128047836363125, 'c': 7.166788347801335, 'alpha': 7...
0.042097
-2.56104
agm005023604
CsTbZnO3
['Cs', 'Tb', 'Zn', 'O']
11
2.59
2.5698
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.60143307, 0.0, 0.0], [0.0, 8.23965762, -0.31622631], [0.0, -2.51110498, 8.14740864]], 'pbc': [True, True, True], 'a': 3.60143307, 'b': 8.245723544599361, 'c': 8.525603542725138, 'alpha': 109.32762260821482, 'beta': 90.0...
0.011957
-0.20689
agm005724617
ErSc2Co
['Er', 'Sc', 'Co']
62
0.0131
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.93256662, 0.0, 0.0], [0.0, 6.61164566, 0.0], [0.0, 0.0, 8.8382737]], 'pbc': [True, True, True], 'a': 5.93256662, 'b': 6.61164566, 'c': 8.8382737, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 346.6726981365961},...
0.085803
-0.316412
agm002249162
ThAl5Fe
['Fe', 'Th', 'Al']
123
0
0
7
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.29404901, 0.0, 0.0], [0.0, 4.29404901, 0.0], [0.0, 0.0, 7.10312734]], 'pbc': [True, True, True], 'a': 4.29404901, 'b': 4.29404901, 'c': 7.10312734, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 130.9735485667406...
0.08175
-0.67859
agm004777621
BaCu(BiSe2)2
['Ba', 'Cu', 'Bi', 'Se']
63
0
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.54713819, 0.0, 0.0], [-2.2735691, 6.81483294, 0.0], [0.0, 0.0, 14.61272808]], 'pbc': [True, True, True], 'a': 4.54713819, 'b': 7.184084106730923, 'c': 14.61272808, 'alpha': 90.0, 'beta': 90.0, 'gamma': 108.4497641685326...
0.023939
-1.278429
agm002339781
Tb4GeTe3
['Ge', 'Te', 'Tb']
139
0.0941
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.11689767, 3.08e-06, 0.00012471], [3.08e-06, 6.11690424, 9.298e-05], [3.05858248, 3.05855318, 6.15952107]], 'pbc': [True, True, True], 'a': 6.116897671272056, 'b': 6.116904240707447, 'c': 7.526577851429228, 'alpha': 66.0...
0.029561
-0.582662
agm003455604
Ac4HIr2
['Ac', 'H', 'Ir']
166
0
0
7
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.35493636, 0.0, -0.0], [2.17746818, 3.77148552, -0.0], [2.17746818, 1.25716184, 13.51408999]], 'pbc': [True, True, True], 'a': 4.35493636, 'b': 4.354936360325164, 'c': 13.745997665672832, 'alpha': 80.88553008578056, 'bet...
0.049469
-0.34411
agm003342922
Mg3(Zn2Rh)2
['Mg', 'Zn', 'Rh']
12
0.0791
0
9
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.91933393, 0.0, -0.0], [-1.95966697, 4.40739211, 1.0654423], [-0.0, 1.17731646, 8.28865787]], 'pbc': [True, True, True], 'a': 3.91933393, 'b': 4.939693020748205, 'c': 8.371853040569922, 'alpha': 70.18279402419637, 'beta'...
0.045249
-0.305527
agm002263578
U(Co3As2)2
['Co', 'As', 'U']
187
0
0
11
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.66663532, 0.0, 0.0], [0.0, 6.81995495, -1.404e-05], [0.0, -3.41009524, 5.90866321]], 'pbc': [True, True, True], 'a': 3.66663532, 'b': 6.819954950014451, 'c': 6.822100151352087, 'alpha': 119.99085856466233, 'beta': 90.0,...
0.039582
-0.228078
agm003527531
Tm8Zn2Ru
['Tm', 'Zn', 'Ru']
12
0.0322
0
11
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.1050133, -0.0, 0.0], [-0.0, 6.69565781, 0.0479389], [-2.55250665, -2.81411784, 8.06127072]], 'pbc': [True, True, True], 'a': 5.1050133, 'b': 6.695829421867556, 'c': 8.911713361460286, 'alpha': 108.01663096415598, 'beta'...
0.06362
-1.283255
agm005201643
CePmIN
['Ce', 'Pm', 'I', 'N']
160
0.0308
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.75191794, -0.0015263, -0.00027761], [-1.87645699, 3.25043569, 0.00018253], [-1.87553301, -1.08180402, 7.67933085]], 'pbc': [True, True, True], 'a': 3.751918260723819, 'b': 3.753188383689638, 'c': 7.978724604412007, 'alp...
0.026245
-1.405337
agm004603041
Pr6SnTe3P2
['Pr', 'Sn', 'Te', 'P']
12
0.0265
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.37860149, 0.0, -0.0], [0.0, 8.98978451, 0.2050232], [-2.18930074, -2.70861146, 9.35697535]], 'pbc': [True, True, True], 'a': 4.37860149, 'b': 8.992122110423889, 'c': 9.984117460843272, 'alpha': 104.46883534126819, 'beta...
0.085926
-0.515462
agm005672234
Nb2CoPt6
['Nb', 'Co', 'Pt']
12
0.0273
0
9
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.73401371, -0.0, -1.11662433], [-0.6092711, 5.92803456, -2.03741399], [-0.14345303, 0.10592145, 6.32191002]], 'pbc': [True, True, True], 'a': 3.897397629292643, 'b': 6.2979251174094895, 'c': 6.324424434394222, 'alpha': 1...
0
-0.333578
agm006078687
MgTa3Os4
['Mg', 'Os', 'Ta']
139
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.31722396, -0.0, -1.16536451], [-0.30951938, 4.31114069, -1.146651], [-0.41207524, -0.46992587, 7.05291893]], 'pbc': [True, True, True], 'a': 4.471744308652455, 'b': 4.471749636481258, 'c': 7.080558011899108, 'alpha': 10...
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Alex-20: contains ~1.3M general inorganic materials curated from the Alexandria database, with energy above the convex hull less than 0.1 eV/atom and no more than 20 atoms in unit cell.
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