Datasets:
zdcao
/
alex-20s

Dataset card Data Studio Files
xet
 Community
1
e_above_hull
float64
0
0.1
e_form
float64
-6.19
0.1
mat_id
stringlengths
12
12
formula
stringlengths
1
22
⌀
elements
stringlengths
5
44
spg
int64
1
230
band_gap_dir
float64
0
18
band_gap_ind
float64
0
17.7
nsites
int64
1
296
structure
stringlengths
512
78.8k
wyckoff_sites
int64
1
20
0.092338
-0.304969
agm001095232
NdHoNi2
['Ni', 'Nd', 'Ho']
225
0
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.84972073, 0.0, 0.0], [2.42486036, 4.19998135, 0.0], [2.42486036, 1.39999378, 3.95978039]], 'pbc': [True, True, True], 'a': 4.84972073, 'b': 4.849720724520862, 'c': 4.849720722533059, 'alpha': 60.000000046379824, 'beta':...
3
0.088873
-0.298491
agm003365766
Ca2Ag5Au4
['Ca', 'Ag', 'Au']
69
0
0
11
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.61061756, 0.0, -0.0], [2.80530878, 4.66124682, -0.0], [2.80530878, 0.0, 9.35521225]], 'pbc': [True, True, True], 'a': 5.61061756, 'b': 5.440310585628838, 'c': 9.766767817128404, 'alpha': 81.4825383896865, 'beta': 73.307...
5
0.069004
-2.446715
agm006225418
Li2Fe(PO4)2
['Li', 'Fe', 'P', 'O']
61
0.0274
0
104
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[9.17802844, 0.0, 0.0], [0.0, 9.19127154, 0.0], [0.0, 0.0, 13.85375705]], 'pbc': [True, True, True], 'a': 9.17802844, 'b': 9.19127154, 'c': 13.85375705, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 1168.6717958659...
13
0.05428
-2.097628
agm005649843
Tm2NpS3
['Tm', 'Np', 'S']
139
0.0017
0
6
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[-1.92773418, 1.92773418, 8.24171388], [1.92773418, -1.92773418, 8.24171388], [1.92773418, 1.92773418, -8.24171388]], 'pbc': [True, True, True], 'a': 8.680908121692408, 'b': 8.680908121692408, 'c': 8.680908121692408, 'alph...
4
0.014926
-0.639328
agm005553766
Ac2Cd2Au3
['Ac', 'Cd', 'Au']
63
0
0
14
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.2836471, 0.0, -1.02126929], [0.0, 8.2402651, 0.0], [0.25185468, 0.0, 10.55075799]], 'pbc': [True, True, True], 'a': 4.403705648659491, 'b': 8.2402651, 'c': 10.553763544034267, 'alpha': 90.0, 'beta': 102.04219215914476, ...
5
0.013882
0.012653
agm005933934
Pr12SmHo3
['Pr', 'Sm', 'Ho']
123
0.0037
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.19658791, 0.0, 0.0], [0.0, 5.19658791, 0.0], [0.0, 0.0, 20.72483676]], 'pbc': [True, True, True], 'a': 5.19658791, 'b': 5.19658791, 'c': 20.72483676, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 559.66439119046...
8
0.02671
-0.18314
agm003302213
Tb2Co2Ni15
['Tb', 'Co', 'Ni']
166
0
0
19
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.26085456, -0.01665298, -0.01483878], [0.7957397, 6.21010269, -0.01483878], [0.7957397, 0.69840686, 6.17072309]], 'pbc': [True, True, True], 'a': 6.260894291761167, 'b': 6.260894287551357, 'c': 6.260894286418698, 'alpha'...
5
0
-1.208433
agm071444928
CeGeBr6
['Ce', 'Ge', 'Br']
212
0.8597
0.8597
32
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[11.77243639, 0.0, 0.0], [0.0, 11.77243639, 0.0], [0.0, 0.0, 11.77243639]], 'pbc': [True, True, True], 'a': 11.77243639, 'b': 11.77243639, 'c': 11.77243639, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 1631.545003...
3
0.060049
-1.818671
agm004891666
RbAg2PtF8
['Rb', 'Ag', 'Pt', 'F']
2
0.3485
0.2856
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.83145766, -0.26363931, 0.20732461], [-0.24178565, 5.52586731, 0.21901979], [0.38122523, 0.35943717, 7.71081737]], 'pbc': [True, True, True], 'a': 4.8430849982280515, 'b': 5.535489092815936, 'c': 7.728598337904479, 'alph...
7
0.04901
-0.789488
agm004849177
Ba2TbThBi4
['Ba', 'Tb', 'Th', 'Bi']
10
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.75062644, 0.0, 0.0], [0.0, 8.16961764, 0.12221438], [0.0, -2.87912618, 8.08883687]], 'pbc': [True, True, True], 'a': 4.75062644, 'b': 8.170531729237574, 'c': 8.585956526202121, 'alpha': 108.73552855455837, 'beta': 90.0,...
6
0.012052
-0.722629
agm005757782
La6CN2
['La', 'C', 'N']
12
0.0015
0
9
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.6199782, 0.0, -0.82943641], [-0.52466234, 7.4740572, -2.28982711], [0.16277833, -0.40751343, 9.0246302]], 'pbc': [True, True, True], 'a': 3.713786063669921, 'b': 7.834545921339479, 'c': 9.035292702901218, 'alpha': 109.6...
5
0.012204
-0.118985
agm005700612
Tl3(SnAu)4
['Tl', 'Sn', 'Au']
71
0
0
11
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.37953042, 1e-08, -1.08941836], [-0.96793555, 6.88998024, -3.89116387], [-0.06578036, 0.50882525, 9.08326265]], 'pbc': [True, True, True], 'a': 4.512994467403042, 'b': 7.971818061128694, 'c': 9.097740959143886, 'alpha': ...
5
0.039988
-0.654863
agm006464581
Sr2Ho2Sn2H
['Sr', 'Ho', 'Sn', 'H']
139
0
0
7
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[-2.39460938, 2.39460938, 8.79735457], [2.39460938, -2.39460938, 8.79735457], [2.39460938, 2.39460938, -8.79735457]], 'pbc': [True, True, True], 'a': 9.426651345831553, 'b': 9.426651345831553, 'c': 9.426651345831553, 'alph...
4
0.037142
-0.423132
agm005957925
SmCd5Pt2
['Sm', 'Cd', 'Pt']
71
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.8615709, -0.0, 1.27825583], [1.44845349, 6.46728537, 2.09623789], [-0.15251314, -0.48200958, 6.9327065]], 'pbc': [True, True, True], 'a': 4.0676366335571075, 'b': 6.951115799724593, 'c': 6.951115946970435, 'alpha': 76.6...
4
0.097771
-2.26947
agm004899814
Y2AgOsO8
['Y', 'Ag', 'Os', 'O']
12
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.91017984, -0.13045724, -0.10981015], [-0.11235149, 4.90833659, 0.101531], [-0.14472147, 0.16281838, 7.04563255]], 'pbc': [True, True, True], 'a': 4.913139874016805, 'b': 4.9106719990240695, 'c': 7.0489993728446505, 'alp...
7
0.046525
-0.69819
agm005531437
Al5Ir2
['Al', 'Ir']
66
0
0
14
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.33010541, 0.00676862, 0.02222809], [-0.01884888, 5.97630322, 2.70003152], [-0.01980811, 0.47237376, 6.9184185]], 'pbc': [True, True, True], 'a': 5.330156056243852, 'b': 6.557951331525199, 'c': 6.934554338347962, 'alpha'...
4
0.038895
-0.699726
agm002177949
Tl2Sn(PS3)2
['S', 'P', 'Tl', 'Sn']
147
0.5349
0.5114
11
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.65589946, -1.2e-06, 0.0], [-3.32794869, 5.76417861, -0.0], [-0.0, -0.0, 7.40818348]], 'pbc': [True, True, True], 'a': 6.655899460000108, 'b': 6.655899453210982, 'c': 7.40818348, 'alpha': 90.0, 'beta': 90.0, 'gamma': 120...
4
0.083241
-1.599985
agm043322251
TbZr3(NbN3)2
['Tb', 'Zr', 'Nb', 'N']
12
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.89106458, 2.81689292, 0.00710117], [-4.89106458, 2.81689292, 0.00710117], [0.0, 1.87480706, 5.32017521]], 'pbc': [True, True, True], 'a': 5.644240327545601, 'b': 5.644240327545601, 'c': 5.640847966159378, 'alpha': 80.38...
6
0
-0.337832
agm069468272
La3InCo
['La', 'In', 'Co']
194
0
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.8076971, -6.59512484, 0.0], [3.8076971, 6.59512484, 0.0], [0.0, 0.0, 5.70389384]], 'pbc': [True, True, True], 'a': 7.615394202569782, 'b': 7.615394202569782, 'c': 5.70389384, 'alpha': 90.0, 'beta': 90.0, 'gamma': 120.00...
3
0.05883
-0.044931
agm004630569
Tb2Sm3Y6In
['Tb', 'Sm', 'Y', 'In']
12
0.0018
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.1522606, -0.00340927, -0.00326302], [-3.07758588, 5.32717442, -0.00326302], [-1.02548748, -1.77562018, 11.53930349]], 'pbc': [True, True, True], 'a': 6.152262409937812, 'b': 6.152262412899602, 'c': 11.720067262161347, '...
6
0.057322
-2.598828
agm010582616
Ba2SrPrSm2Mn2(NiO7)2
['Ba', 'Sr', 'Pr', 'Sm', 'Mn', 'Ni', 'O']
99
0
0
24
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.94486403, 0.0, 0.0], [0.0, 3.94486403, 0.0], [0.0, 0.0, 20.65643596]], 'pbc': [True, True, True], 'a': 3.94486403, 'b': 3.94486403, 'c': 20.65643596, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 321.45446934560...
19
0.057729
-1.650881
agm071514044
CeNd2(IBr2)3
['Ce', 'Nd', 'I', 'Br']
212
0.0227
0.0227
48
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[14.09583836, -0.0, 0.0], [0.0, 14.09583836, 0.0], [0.0, 0.0, 14.09583836]], 'pbc': [True, True, True], 'a': 14.09583836, 'b': 14.09583836, 'c': 14.09583836, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 2800.73960...
4
0.006489
-0.656689
agm002261084
CaYbSn
['Ca', 'Yb', 'Sn']
194
0.0646
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.38120727, 0.0, 0.0], [0.0, 7.10044419, -1.1e-07], [0.0, -3e-07, 9.31767923]], 'pbc': [True, True, True], 'a': 5.38120727, 'b': 7.100444190000001, 'c': 9.317679230000005, 'alpha': 90.00000273236968, 'beta': 90.0, 'gamma'...
3
0.000252
-2.137002
agm063022825
MgPb2WO6
['Mg', 'Pb', 'W', 'O']
12
2.9705
2.7295
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[2.8576267, 4.93545068, -0.00183385], [-2.8576267, 4.93545068, -0.00183385], [0.0, 3.3386419, 4.68931346]], 'pbc': [True, True, True], 'a': 5.703043672835688, 'b': 5.703043672835688, 'c': 5.7564042997840925, 'alpha': 59.88...
5
0.023015
-2.058524
agm005067794
NaHoAgCl5
['Na', 'Ho', 'Ag', 'Cl']
15
3.4771
3.4771
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.59158143, -0.75036321, -0.0354965], [-2.93376733, 7.04188631, -0.0354965], [-1.92884441, -2.60537859, 9.24102383]], 'pbc': [True, True, True], 'a': 7.62865738886959, 'b': 7.628657388495894, 'c': 9.793107769336887, 'alph...
6
0.011183
-0.331284
agm034638188
Tb2HoTmZn4
['Tb', 'Ho', 'Tm', 'Zn']
166
0.0003
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[8.68251799, -0.02078903, -0.01273031], [7.22451806, 4.81589968, -0.01273031], [7.22451806, 2.17780128, 4.29537348]], 'pbc': [True, True, True], 'a': 8.682552210682909, 'b': 8.68255221624857, 'c': 8.682552213901344, 'alpha...
5
0
-2.870673
agm003249152
SmAlGe2O7
['Sm', 'Al', 'Ge', 'O']
14
3.5561
3.3578
44
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.57381575, 0.0, 0.0], [0.0, 7.28280734, 0.01172228], [0.0, 5.95082502, 11.35185078]], 'pbc': [True, True, True], 'a': 6.57381575, 'b': 7.282816773982871, 'c': 12.817052490726743, 'alpha': 62.24351765340694, 'beta': 90.0,...
11
0.01345
-0.580111
agm005630322
U2(Al3Rh)3
['U', 'Al', 'Rh']
15
0.0034
0
28
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.04165194, -0.05477126, -2.95222114], [-4.15903577, 6.40358387, 0.00517393], [0.23497761, 0.19781433, 10.37792342]], 'pbc': [True, True, True], 'a': 7.635670998313812, 'b': 7.63567231393643, 'c': 10.382467890522905, 'alp...
8
0.033523
-1.833311
agm004727747
Na4Tb3AsS8
['Na', 'Tb', 'As', 'S']
166
2.2612
2.0941
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.91142761, -0.0, 0.0], [-0.0, 8.08582513, 0.11216634], [-3.95571381, -3.95214353, 5.59723172]], 'pbc': [True, True, True], 'a': 7.91142761, 'b': 8.086603076741712, 'c': 7.9117705449361795, 'alpha': 119.31864037772812, 'b...
6
0.057871
-0.32242
agm005964755
Sm3Cd3In
['Sm', 'Cd', 'In']
44
0.037
0
7
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.82168236, 0.0, -1.05189237], [-0.17928025, 3.53764785, -0.82178874], [-0.11611336, 0.6909297, 11.04455939]], 'pbc': [True, True, True], 'a': 4.93508848338096, 'b': 3.6362660039992223, 'c': 11.066759158938526, 'alpha': 9...
7
0.039652
-1.57457
agm005151642
K2CaInBr5
['K', 'Ca', 'In', 'Br']
36
2.632
2.6311
18
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.45303086, -0.0, 0.0], [-2.22651543, 9.78079015, 0.0], [0.0, 0.0, 15.7484543]], 'pbc': [True, True, True], 'a': 4.45303086, 'b': 10.03101325481953, 'c': 15.7484543, 'alpha': 90.0, 'beta': 90.0, 'gamma': 102.8243652152683...
9
0.036833
-0.429975
agm002316537
Th3(SiAg)4
['Si', 'Ag', 'Th']
71
0.0156
0
11
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.18957651, 0.00101327, -0.00046338], [-0.00202277, 4.28516037, 0.00113179], [2.09131045, 2.14841586, 12.91966644]], 'pbc': [True, True, True], 'a': 4.189576658157826, 'b': 4.285160996878135, 'c': 13.262995552537934, 'alp...
6
0.028122
-0.194938
agm005873646
NaSm2Tl9
['Na', 'Sm', 'Tl']
123
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.8145496, 0.0, 0.0], [0.0, 4.8145496, 0.0], [0.0, 0.0, 14.51079694]], 'pbc': [True, True, True], 'a': 4.8145496, 'b': 4.8145496, 'c': 14.51079694, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 336.3586456958048},...
6
0.086688
0.031186
agm001401728
GdHoTmMg
['Gd', 'Mg', 'Tm', 'Ho']
216
0
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.47417875, 0.0, 0.0], [2.73708937, 4.74077786, 0.0], [2.73708937, 1.58025929, 4.46964823]], 'pbc': [True, True, True], 'a': 5.47417875, 'b': 5.474178745458826, 'c': 5.474178745980116, 'alpha': 59.99999999025288, 'beta': ...
4
0.028522
-1.339104
agm004618681
Tb6Sb3AsP2
['Tb', 'Sb', 'As', 'P']
12
0.1997
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.20353117, 0.0, -0.0], [0.0, 8.51564481, 0.22569856], [-2.10176558, -2.53358108, 8.90792103]], 'pbc': [True, True, True], 'a': 4.20353117, 'b': 8.518635241050411, 'c': 9.496710415660939, 'alpha': 103.99513096314993, 'bet...
7
0
-0.141693
agm002179696
Hg2Pd
['Hg', 'Pd']
123
0
0
3
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.00397233, 0.0, 0.0], [0.0, 4.80639749, 0.0], [0.0, 0.0, 4.80639749]], 'pbc': [True, True, True], 'a': 3.00397233, 'b': 4.80639749, 'c': 4.80639749, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 69.39613710565187...
2
0
-2.17876
agm002173899
CsTcO4
['Cs', 'Tc', 'O']
88
3.4426
3.4084
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.128108, 2.704e-05, 0.00017812], [2.764e-05, 6.12806185, 3.207e-05], [-3.06380962, -3.06398587, 7.23553628]], 'pbc': [True, True, True], 'a': 6.128108002648281, 'b': 6.128061850146249, 'c': 8.43373725333914, 'alpha': 111...
3
0.092447
-2.017911
agm004682340
Sm8Se3S3O
['Sm', 'Se', 'S', 'O']
166
0.0001
0
15
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[8.01906499, 4.749e-05, 2.725e-05], [-4.00949105, 6.94468555, -0.02441417], [-2.94e-06, -4.60643845, 6.68002516]], 'pbc': [True, True, True], 'a': 8.019064990186921, 'b': 8.019056797411134, 'c': 8.11430904833431, 'alpha': ...
5
0.083647
-1.757074
agm004967473
NbCd2NiO6
['Nb', 'Cd', 'Ni', 'O']
14
0.0975
0.0975
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.33254278, 0.0, 0.02349717], [0.0, 5.47719263, 0.0], [0.0803883, 0.0, 8.0430685]], 'pbc': [True, True, True], 'a': 5.33259454839088, 'b': 5.47719263, 'c': 8.043470219654521, 'alpha': 90.0, 'beta': 89.17489829210639, 'gam...
6
0.019294
-1.992661
agm003232114
NdSI
['Nd', 'S', 'I']
61
2.0075
2.0075
24
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.10209012, 0.0, 0.0], [0.0, 7.3029809, 0.0], [0.0, 0.0, 14.42589986]], 'pbc': [True, True, True], 'a': 7.10209012, 'b': 7.3029809, 'c': 14.42589986, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 748.219903585475}...
3
0.029839
-2.020328
agm005035426
CeDyPdS3
['Ce', 'Dy', 'Pd', 'S']
11
0.0086
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.85898096, 0.0, 0.0], [0.0, 7.93666691, 0.10237011], [0.0, -1.9997684, 8.39375412]], 'pbc': [True, True, True], 'a': 3.85898096, 'b': 7.937327086602287, 'c': 8.62868367021619, 'alpha': 102.6616263519636, 'beta': 90.0, 'g...
6
0.071761
-1.195367
agm003688210
Pu6SiSe12
['Pu', 'Si', 'Se']
148
0
0
19
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[8.08771378, -0.05972641, -0.07155079], [-1.28516069, 7.98517648, -0.07155079], [-1.28516069, -1.49730208, 7.84386699]], 'pbc': [True, True, True], 'a': 8.088250796482697, 'b': 8.088250795531508, 'c': 8.088250792025756, 'a...
4
0.059853
-0.590002
agm002356881
Sm3Fe2Si7
['Si', 'Fe', 'Sm']
65
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.15394103, 0.0, 0.0], [0.0, 4.07522211, -0.00057978], [0.0, 2.03535996, 12.39438545]], 'pbc': [True, True, True], 'a': 4.15394103, 'b': 4.075222151242518, 'c': 12.560393339778132, 'alpha': 80.68248518645116, 'beta': 90.0...
7
0.086994
-0.716967
agm002320367
Sm2SnAu
['Au', 'Sn', 'Sm']
225
0.0052
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.32388444, 0.00038961, -0.00027366], [2.66227963, 4.61042622, -0.00022916], [-2.66227809, -1.53719556, 4.34629308]], 'pbc': [True, True, True], 'a': 5.323884461289506, 'b': 5.323886062914075, 'c': 5.323622672150389, 'alp...
3
0.046556
-0.149003
agm005809726
Na2Cd3Bi
['Na', 'Cd', 'Bi']
25
0
0
6
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.54954102, 0.0, 0.0], [0.0, 5.07699204, 0.0], [0.0, 0.0, 8.99942185]], 'pbc': [True, True, True], 'a': 3.54954102, 'b': 5.07699204, 'c': 8.99942185, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 162.1785047015032...
6
0.041326
-0.70765
agm003246695
Y3Ge6N11
['Y', 'Ge', 'N']
100
2.8063
2.6762
40
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[10.36670371, 0.0, 0.0], [-0.0, 10.36670371, 0.0], [0.0, 0.0, 5.16274653]], 'pbc': [True, True, True], 'a': 10.36670371, 'b': 10.36670371, 'c': 5.16274653, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 554.83286196...
8
0.008949
-1.469562
agm004619590
PrTm3(ThAs3)2
['Pr', 'Tm', 'Th', 'As']
12
0.0142
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.17988112, 0.0, -0.0], [0.0, 8.3083762, 0.32616387], [-2.08994056, -2.36517306, 8.75429346]], 'pbc': [True, True, True], 'a': 4.17988112, 'b': 8.31477588097357, 'c': 9.305887874452477, 'alpha': 102.53648544469863, 'beta'...
7
0
-3.938863
agm002218267
Li2YbCeF8
['Yb', 'Li', 'Ce', 'F']
82
2.5073
2.5073
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.25281585, 0.00048595, 0.00015008], [0.00300166, 5.25113223, 0.00020308], [-2.62801298, -2.62604254, 5.42662439]], 'pbc': [True, True, True], 'a': 5.252815874622167, 'b': 5.251133091833515, 'c': 6.576534339230732, 'alpha...
6
0.045058
-1.735159
agm005970852
NiHg3F7
['Ni', 'Hg', 'F']
63
0.5119
0.0589
22
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.77023903, 0.17257264, 0.0], [-2.18290546, 6.41099427, 0.0], [0.0, 0.0, 7.70709277]], 'pbc': [True, True, True], 'a': 6.772438101556331, 'b': 6.772438539940444, 'c': 7.70709277, 'alpha': 90.0, 'beta': 90.0, 'gamma': 107....
8
0.098562
-0.524225
agm001979366
KAc2Pt
['Ac', 'K', 'Pt']
166
0
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.46264644, 0.0, 0.0], [2.23132322, 3.86476518, -0.0], [2.23132322, 1.28825506, 11.89653653]], 'pbc': [True, True, True], 'a': 4.46264644, 'b': 4.462646435541538, 'c': 12.172345124147245, 'alpha': 79.43733143939217, 'beta...
3
0.049398
-1.997359
agm005029994
Rb3IBrF
['Rb', 'I', 'Br', 'F']
12
4.0069
4.0069
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.49289389, 0.0, 0.0], [-2.74644695, 9.4115176, 0.18977757], [0.0, -2.54509778, 9.43784057]], 'pbc': [True, True, True], 'a': 5.49289389, 'b': 9.805898730373936, 'c': 9.77498630866043, 'alpha': 103.36836887479993, 'beta':...
6
0.014611
-2.772492
agm010812430
Ca3TmFe2(WO6)2
['Ca', 'Tm', 'Fe', 'W', 'O']
1
2.4076
2.3443
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.4863327, -0.01011365, 0.02408705], [-0.00753209, 5.70493234, 0.01247021], [0.05798847, 0.06127367, 7.85525139]], 'pbc': [True, True, True], 'a': 5.486394897105322, 'b': 5.704950941287321, 'c': 7.855704393966536, 'alpha'...
20
0.069343
-2.078623
agm004934492
NpCu(PbO3)2
['Np', 'Cu', 'Pb', 'O']
12
0.0433
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.68594506, -0.0, -0.34278644], [-0.0, 5.67142007, -0.0], [-2.61653422, -2.83571003, 4.79276738]], 'pbc': [True, True, True], 'a': 5.69626840736866, 'b': 5.67142007, 'c': 6.152895404398296, 'alpha': 117.44352490329977, 'b...
5
0.02558
-0.200446
agm006027561
Cd4CuPd15
['Cd', 'Cu', 'Pd']
123
0
0
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.02119021, 0.0, 0.0], [0.0, 4.02119021, 0.0], [0.0, 0.0, 19.92746224]], 'pbc': [True, True, True], 'a': 4.02119021, 'b': 4.02119021, 'c': 19.92746224, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 322.22648064579...
9
0.056297
-0.643438
agm005673247
HfZrGe
['Hf', 'Zr', 'Ge']
51
0.0155
0
18
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.73087801, 0.0, 0.0], [0.0, 7.54134916, 0.0], [0.0, 0.0, 12.90431348]], 'pbc': [True, True, True], 'a': 3.73087801, 'b': 7.54134916, 'c': 12.90431348, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 363.07387677582...
6
0.008863
-0.015669
agm007893189
V7W
['V', 'W']
166
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.11780572, -2.13632245, 0.04719834], [7.11780572, 2.13632245, 0.04719834], [6.45247829, 0.0, 3.68711045]], 'pbc': [True, True, True], 'a': 7.431639089819787, 'b': 7.431639089819787, 'c': 7.431639089287136, 'alpha': 33.41...
5
0
-0.441746
agm007682161
CeTa(H3Ru)2
['Ce', 'Ta', 'H', 'Ru']
166
0.0025
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.36451124, -0.29770829, 1.16004284], [-2.25384132, 3.86989466, 0.6491358], [0.71407142, -0.58822183, 5.98400869]], 'pbc': [True, True, True], 'a': 4.525846658986175, 'b': 4.525180953517494, 'c': 6.055102221775027, 'alpha...
4
0.005491
-1.321843
agm005672181
Dy2AuSe
['Dy', 'Au', 'Se']
63
0.034
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.26553824, 0.0, 0.0], [0.0, 3.91431447, -0.69522036], [0.0, 0.0475898, 11.6349928]], 'pbc': [True, True, True], 'a': 4.26553824, 'b': 3.9755740615677015, 'c': 11.635090126213713, 'alpha': 99.8369129841836, 'beta': 90.0, ...
4
0.07781
-1.15314
agm005757413
Ca2TeAu
['Ca', 'Te', 'Au']
63
0.0967
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.53692501, 0.0, 0.0], [0.0, 4.26970107, -0.75834036], [0.0, -0.03306919, 12.21288414]], 'pbc': [True, True, True], 'a': 4.53692501, 'b': 4.336522492592892, 'c': 12.212928911133103, 'alpha': 100.22640415503392, 'beta': 90...
4
0.004422
-1.439293
agm009406353
Nd8Sb5Se3
['Nd', 'Sb', 'Se']
166
0
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.65064354, -4.42867489, 0.0044461], [7.65064354, 4.42867489, 0.0044461], [5.0828467, 0.0, 7.23257886]], 'pbc': [True, True, True], 'a': 8.83999590640547, 'b': 8.83999590640547, 'c': 8.83999590168569, 'alpha': 60.12992078...
6
0.079321
-0.95155
agm002232947
ThCuP
['P', 'Cu', 'Th']
187
0.2088
0
3
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.18033954, 0.0, 0.0], [0.0, 3.98313933, 0.0], [0.0, 1.99156966, 3.44949985]], 'pbc': [True, True, True], 'a': 4.18033954, 'b': 3.98313933, 'c': 3.9831393304506104, 'alpha': 60.0000000867917, 'beta': 90.0, 'gamma': 90.0, ...
3
0.002727
-1.142727
agm037000892
La2Ce3SmSb6
['La', 'Ce', 'Sm', 'Sb']
12
0.0007
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[2.26945921, 9.89665004, 0.04205955], [-2.26945921, 9.89665004, 0.04205955], [0.0, 2.05640847, 8.84734112]], 'pbc': [True, True, True], 'a': 10.153614928971457, 'b': 10.153614928971457, 'c': 9.083185602481686, 'alpha': 77....
7
0.098075
-1.869762
agm011122604
Ba3ZnNi2O7
['Ba', 'Zn', 'Ni', 'O']
47
0.0015
0
13
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.97297208, 0.0, 0.0], [0.0, 4.05842678, 0.0], [0.0, 0.0, 12.35574195]], 'pbc': [True, True, True], 'a': 3.97297208, 'b': 4.05842678, 'c': 12.35574195, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 199.22418442326...
8
0.057792
-0.382206
agm009587644
Sr3Tl3Ge2
['Sr', 'Tl', 'Ge']
63
0
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[2.31128345, -6.14726005, -0.0], [2.31128345, 6.14726005, 0.0], [0.0, 0.0, 17.1964545]], 'pbc': [True, True, True], 'a': 6.567407198321869, 'b': 6.567407198321869, 'c': 17.1964545, 'alpha': 90.0, 'beta': 90.0, 'gamma': 138...
5
0.086653
-0.579555
agm004800863
CaZn2GaPd4
['Ca', 'Zn', 'Ga', 'Pd']
166
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.4448264, -0.0, 0.0], [2.2224132, 3.84933257, 0.0], [2.2224132, 1.28311086, 7.72484212]], 'pbc': [True, True, True], 'a': 4.4448264, 'b': 4.444826393234841, 'c': 8.139943469675345, 'alpha': 74.1556108502317, 'beta': 74.1...
5
0.052326
-1.709141
agm004860286
Li2TmCrS4
['Li', 'Tm', 'Cr', 'S']
10
0.8886
0.7915
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.69828665, -1.97e-06, -1.63e-06], [3.86e-05, 6.45416654, -0.17610563], [3.384e-05, 2.225333, 5.91648998]], 'pbc': [True, True, True], 'a': 3.698286650000884, 'b': 6.456568664582081, 'c': 6.321151844836077, 'alpha': 70.95...
6
0.04233
-0.121068
agm005895596
Ce12In3Ag
['Ce', 'In', 'Ag']
123
0
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.81667857, 0.0, 0.0], [0.0, 4.81667857, 0.0], [0.0, 0.0, 19.05876732]], 'pbc': [True, True, True], 'a': 4.81667857, 'b': 4.81667857, 'c': 19.05876732, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 442.17088137428...
8
0.009042
-2.323913
agm004730299
Sm3Dy(HoS2)4
['Sm', 'Dy', 'Ho', 'S']
166
0.0001
0
16
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.84892697, -0.0, 0.0], [-0.0, 7.8917661, 0.02583105], [-3.92446349, -3.91994991, 5.55252558]], 'pbc': [True, True, True], 'a': 7.84892697, 'b': 7.891808374526925, 'c': 7.848436869708918, 'alpha': 119.8108186827913, 'beta...
6
0.043645
-0.012811
agm005939771
Pu2PaCu9
['Pu', 'Pa', 'Cu']
166
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.92533134, 1.1e-06, 1.46585445], [2.24453701, 4.3841698, 1.46585445], [0.05695807, 0.03482866, 8.81621447]], 'pbc': [True, True, True], 'a': 5.138834311142188, 'b': 5.138834546186185, 'c': 8.816467253857008, 'alpha': 73....
5
0.018322
-0.800092
agm005202871
YCoSiH
['Y', 'Co', 'Si', 'H']
129
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.83856641, 0.0, 0.0], [0.0, 3.83856641, 0.0], [0.0, 0.0, 7.37692239]], 'pbc': [True, True, True], 'a': 3.83856641, 'b': 3.83856641, 'c': 7.37692239, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 108.6959422518309...
4
0.075741
-0.693273
agm005883809
Th2BePd9
['Th', 'Be', 'Pd']
123
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.19660634, 0.0, 0.0], [0.0, 4.19660634, 0.0], [0.0, 0.0, 11.71556935]], 'pbc': [True, True, True], 'a': 4.19660634, 'b': 4.19660634, 'c': 11.71556935, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 206.32880552509...
6
0.08781
-0.08762
agm004013149
In2HgAu
['Au', 'Hg', 'In']
12
0
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.58670663, -0.12196036, 0.12887955], [2.92930567, 3.53156061, 0.12887955], [1.65947662, 0.75281301, 6.23063829]], 'pbc': [True, True, True], 'a': 4.590137468257948, 'b': 4.590137469488896, 'c': 6.491644135437956, 'alpha'...
3
0.03331
-0.766923
agm005758620
Dy2InSb
['Dy', 'In', 'Sb']
63
0.0975
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.35171212, 0.0, 0.0], [0.0, 4.42505502, -0.78593228], [0.0, -0.12107006, 12.16854664]], 'pbc': [True, True, True], 'a': 4.35171212, 'b': 4.494307675134537, 'c': 12.169148913925069, 'alpha': 100.64129873758131, 'beta': 90...
4
0
-0.314866
agm003258456
Tl3AsSe3
['Tl', 'As', 'Se']
160
1.0675
1.0675
7
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.36162481, 0.00437523, 0.00670517], [-1.82230003, 6.09503995, 0.00670517], [-1.82230063, -2.44859504, 5.58157138]], 'pbc': [True, True, True], 'a': 6.361629848171758, 'b': 6.36162985018295, 'c': 6.361630005434621, 'alpha...
3
0.03316
-0.513911
agm002189537
SrPb
['Pb', 'Sr']
123
0.1309
0
2
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.77844192, 0.0, 0.0], [0.0, 3.77844192, 0.0], [0.0, 0.0, 4.79939397]], 'pbc': [True, True, True], 'a': 3.77844192, 'b': 3.77844192, 'c': 4.79939397, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 68.51913998345933...
2
0.01133
-3.399732
agm011024495
Ca2La2Ti3NiO12
['Ca', 'La', 'Ti', 'Ni', 'O']
1
2.3385
1.9571
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.49774423, 0.01230769, 0.00274508], [-0.03945981, 5.60196493, 0.00989385], [-0.02697139, -0.00861944, 7.80378345]], 'pbc': [True, True, True], 'a': 5.497758691793924, 'b': 5.602112640943858, 'c': 7.803834819184626, 'alph...
20
0.081792
-1.804491
agm004689146
LiCa3Tm3Se8
['Li', 'Ca', 'Tm', 'Se']
166
1.0286
0.7933
15
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[8.13987198, -2.64e-06, -2.53e-05], [-4.06993825, 7.04895038, -0.02488519], [-1.959e-05, -4.67551914, 6.78865408]], 'pbc': [True, True, True], 'a': 8.139871980039747, 'b': 8.13957726735219, 'c': 8.242954776461579, 'alpha':...
5
0.053619
-0.088652
agm001133485
NdSc2Ag
['Sc', 'Nd', 'Ag']
123
0.0001
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.50482009, 0.0, 0.0], [0.0, 3.50482009, 0.0], [0.0, 0.0, 8.07375207]], 'pbc': [True, True, True], 'a': 3.50482009, 'b': 3.50482009, 'c': 8.07375207, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 99.17606391844804...
3
0.033125
-0.578237
agm005186613
NdSmTlAu
['Nd', 'Sm', 'Tl', 'Au']
99
0
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.71214095, 0.0, 0.0], [0.0, 3.71214095, 0.0], [0.0, 0.0, 7.94136645]], 'pbc': [True, True, True], 'a': 3.71214095, 'b': 3.71214095, 'c': 7.94136645, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 109.4319537033019...
4
0.043639
-0.087721
agm006116720
La6Pr5Pb
['Pr', 'Pb', 'La']
71
0
0
12
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.90890076, -0.00642441, -1.42741591], [-3.35153758, 8.92165358, -2.42177591], [0.19546913, -0.49634325, 9.81881522]], 'pbc': [True, True, True], 'a': 5.112226924217425, 'b': 9.833295750150882, 'c': 9.83329533407327, 'alp...
6
0
-0.001771
agm010064084
Tb7Dy2
['Tb', 'Dy']
12
0
0
9
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[1.78773177, 9.30983052, -0.05566906], [-1.78773177, 9.30983052, -0.05566906], [0.0, 4.18892941, 8.54403808]], 'pbc': [True, True, True], 'a': 9.480085877081077, 'b': 9.480085877081077, 'c': 9.515656378540212, 'alpha': 64....
5
0.068781
-0.698056
agm028591926
Si4PdRh6
['Si', 'Pd', 'Rh']
187
0
0
11
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.87818402, -6.71721176, 0.0], [3.87818402, 6.71721176, 0.0], [0.0, 0.0, 2.89775256]], 'pbc': [True, True, True], 'a': 7.7563680367595795, 'b': 7.7563680367595795, 'c': 2.89775256, 'alpha': 90.0, 'beta': 90.0, 'gamma': 11...
5
0.052683
-0.77916
agm006121218
Sm5Pd4Rh
['Sm', 'Pd', 'Rh']
123
0
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.53238578, 0.0, 0.0], [0.0, 3.53238578, 0.0], [0.0, 0.0, 18.14304073]], 'pbc': [True, True, True], 'a': 3.53238578, 'b': 3.53238578, 'c': 18.14304073, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 226.38431374588...
6
0.033413
-0.641412
agm005563520
Er5(HgGe)2
['Er', 'Hg', 'Ge']
64
0
0
18
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.13693892, 0.0, 2.59066495], [0.0, 7.59846105, 0.0], [0.89962395, 0.0, 8.64764898]], 'pbc': [True, True, True], 'a': 7.592591259311229, 'b': 7.59846105, 'c': 8.694317462153577, 'alpha': 90.0, 'beta': 64.11023829689758, '...
4
0
-1.777785
agm066023842
Tb4PuN5
['Tb', 'Pu', 'N']
166
0.032
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[14.26916111, -1.74625207, -0.00438936], [14.26916111, 1.74625207, -0.00438936], [14.05638384, 0.0, 3.01271433]], 'pbc': [True, True, True], 'a': 14.375617355146767, 'b': 14.375617355146767, 'c': 14.375617353407836, 'alpha...
6
0.059805
-0.781628
agm003285633
Pu2Br13
['Br', 'Pu']
2
0.0012
0
15
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.78103244, -0.61635068, -0.04171718], [-1.79975187, 8.56573359, -0.85226125], [-0.60577885, -5.1532128, 10.57041048]], 'pbc': [True, True, True], 'a': 7.805516915373124, 'b': 8.794159878389427, 'c': 11.775234515409236, '...
8
0.024522
0.022658
agm005756652
TbErSc3
['Tb', 'Er', 'Sc']
11
0.0002
0
10
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.33745387, 0.00114682, -0.00095304], [-0.00093104, 5.68937526, 1.67870604], [0.00175783, 0.38256819, 9.0808881]], 'pbc': [True, True, True], 'a': 5.337454078290447, 'b': 5.931866964511935, 'c': 9.088943293622629, 'alpha'...
5
0.073686
-0.743789
agm003288648
Ca5P2
['Ca', 'P']
15
0.0046
0
14
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.71655518, -0.0, 0.0], [-0.0, 7.61434456, 0.14953037], [-3.35827759, -0.98634428, 7.892997]], 'pbc': [True, True, True], 'a': 6.71655518, 'b': 7.615812655912298, 'c': 8.634251852488086, 'alpha': 95.52416754354107, 'beta'...
4
0.094115
-0.161594
agm003334619
Er2Mg3Cd4
['Er', 'Mg', 'Cd']
64
0.0238
0
18
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.13318654, 0.0, 0.0], [0.0, 8.1309113, 0.0], [-3.06659327, -0.0, 8.62859383]], 'pbc': [True, True, True], 'a': 6.13318654, 'b': 8.1309113, 'c': 9.157326343792896, 'alpha': 90.0, 'beta': 109.56516012248267, 'gamma': 90.0,...
5
0.003349
-1.77355
agm004826025
PmSm(HoSe2)2
['Pm', 'Sm', 'Ho', 'Se']
10
0.0075
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.05680103, -1.85e-06, -1.67e-06], [4.301e-05, 7.27109994, -0.22660237], [3.756e-05, 2.47694478, 6.63111721]], 'pbc': [True, True, True], 'a': 4.0568010300007655, 'b': 7.274630091860856, 'c': 7.078627755245941, 'alpha': 7...
6
0.063346
-0.905924
agm002215054
LuGePd
['Ge', 'Lu', 'Pd']
194
0
0
6
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.39519938, 0.0, 0.0], [-2.19759969, 3.80635431, 0.0], [0.0, 0.0, 6.82722894]], 'pbc': [True, True, True], 'a': 4.39519938, 'b': 4.395199373264388, 'c': 6.82722894, 'alpha': 90.0, 'beta': 90.0, 'gamma': 120.00000005069445...
3
0.020824
-0.274419
agm007902268
NbPd7
['Nb', 'Pd']
12
0
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[1.98109206, 4.45172409, -0.00025562], [-1.98109206, 4.45172409, -0.00025562], [0.0, 3.50662725, 7.05239552]], 'pbc': [True, True, True], 'a': 4.872635138097553, 'b': 4.872635138097553, 'c': 7.876085146883485, 'alpha': 66....
5
0.037235
-0.329332
agm006455123
Hf2Ti4Sn2H
['Hf', 'Ti', 'Sn', 'H']
139
0
0
9
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[-3.08158358, 3.08158358, 4.05910697], [3.08158358, -3.08158358, 4.05910697], [3.08158358, 3.08158358, -4.05910697]], 'pbc': [True, True, True], 'a': 5.955557414294134, 'b': 5.955557414294134, 'c': 5.955557414294134, 'alph...
4
0.058478
-0.349539
agm005552644
K2Ge2Pd3
['K', 'Ge', 'Pd']
12
0.0236
0
7
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.13999251, 1e-08, 1e-08], [-2.06999521, 5.43918199, -3.13609956], [-1.01e-06, -0.39999796, 7.86831771]], 'pbc': [True, True, True], 'a': 4.13999251, 'b': 6.6109531340038625, 'c': 7.8784784034421795, 'alpha': 121.03352061...
4
0.047798
-3.459025
agm005150172
Ba2YTmO5
['Ba', 'Y', 'Tm', 'O']
36
3.2018
3.1287
18
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.68427121, 0.0, 0.0], [-1.8421356, 7.16095455, 0.0], [0.0, 0.0, 12.35535423]], 'pbc': [True, True, True], 'a': 3.68427121, 'b': 7.3941012730387365, 'c': 12.35535423, 'alpha': 90.0, 'beta': 90.0, 'gamma': 104.426381297959...
9
0.065833
-3.37253
agm005649261
Mg2ZnF6
['Mg', 'Zn', 'F']
164
5.4015
5.3607
27
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.460502, 0.0, 0.0], [0.0, 7.88682318, -4.5534598], [0.0, -0.0, 9.1069186]], 'pbc': [True, True, True], 'a': 4.460502, 'b': 9.106919129035974, 'c': 9.1069186, 'alpha': 120.00000171071737, 'beta': 90.0, 'gamma': 90.0, 'vol...
6
0.055765
-0.221247
agm005211248
TaNbCrTc
['Ta', 'Nb', 'Cr', 'Tc']
99
0
0
4
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.14517313, 0.0, 0.0], [0.0, 3.14517313, 0.0], [0.0, 0.0, 6.30732945]], 'pbc': [True, True, True], 'a': 3.14517313, 'b': 3.14517313, 'c': 6.30732945, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 62.39282206643302...
4
0.024326
-1.42018
agm004832395
LiLa2HoTe4
['Li', 'La', 'Ho', 'Te']
10
0.0016
0
8
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.45030876, 0.0, 0.0], [0.0, 7.73341841, 0.14693312], [0.0, -2.69269384, 7.19734378]], 'pbc': [True, True, True], 'a': 4.45030876, 'b': 7.734814131307866, 'c': 7.68455318177177, 'alpha': 109.42351775964497, 'beta': 90.0, ...
6
0.074103
-0.973582
agm004706370
Cs4Rb(InI4)3
['Cs', 'Rb', 'In', 'I']
229
0
0
20
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[10.8967616, 0.0, 0.0], [-3.63225387, 10.27356536, -0.0], [-3.63225387, -5.13678268, 8.89716859]], 'pbc': [True, True, True], 'a': 10.8967616, 'b': 10.896761600692285, 'c': 10.896761601345627, 'alpha': 109.47122061597305, ...
5
0.028845
-1.089781
agm005848007
Tb2PdI2
['Tb', 'Pd', 'I']
166
0.0118
0
5
{'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.05487977, -0.0, 0.74993985], [1.95809035, 3.55076533, 0.74993987], [-0.12800251, -0.07558806, 12.02931877]], 'pbc': [True, True, True], 'a': 4.123646411584446, 'b': 4.123646693899557, 'c': 12.030237249017791, 'alpha': 8...
3