mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1206213
1.08513
1.765278
-3.510194
other
Eu2Br2F1
5
123
490.03
mp-1217764
0.930528
1.651791
2.61571
other
Ta2C1N1
4
123
44.14
mp-1219172
-3.521478
-4.138133
-3.23209
other
Sm2Sb1S1
4
123
110.5
mp-1222276
-4.295171
-4.17988
-3.865648
other
Li1Ho1Se2
4
123
91.89
mp-1185978
8.293103
12.058058
-0.812374
other
Mn2Pt2O5
9
123
110.24
mp-1078167
-8.094789
-5.576988
4.449106
other
Pr1In5Co1
7
123
160.76
mp-1219969
11.219253
9.238005
2.727147
other
Pa1In1O4
6
123
74.55
mp-1207351
-2.868219
-7.912918
1.387247
other
Y2Cu1As3
6
123
3,818.09
mp-973592
12.348223
9.217994
1.434252
other
Ho2Ge2O5
9
123
111.65
mp-1246694
1.275752
2.219879
1.375208
other
K1Mn1N1
3
123
67.12
mp-1215354
-8.416325
-4.814985
2.943599
other
Zr1In1Pd2
4
123
75.53
mp-1025370
-7.850947
-3.322908
2.712316
other
In1Si1Pt5
7
123
111.6
mp-1225169
-8.353118
-1.331511
2.613035
other
Ga2Fe1Ni9
12
123
133.72
mp-1206947
-5.038439
-4.893522
5.4852
other
Th2Si3Ir3
8
123
172.11
mp-1227631
9.382959
8.70883
1.751498
other
Ca3Cd1O4
8
123
109.4
mp-1215288
1.513872
1.788671
2.576355
other
Zr1Al1N2
4
123
44.11
mp-1018684
-8.28781
-8.253362
6.753324
other
Er2Mg3Ru1
6
123
140.94
mp-755552
-2.70835
-2.616078
-5.781819
other
Li1Y1S2
4
123
81.91
mp-1217075
-8.286334
-7.858482
3.608313
other
Ti3Zn1Hg4
8
123
152.21
mp-1213784
-7.078263
-4.284062
5.648587
other
Ce1Al6Pd1
8
123
153.12
mp-1206832
0.867562
1.734652
-4.420667
other
Bi2Cl2O1
5
123
150.72
mp-1079564
-3.915819
-3.892666
0.699135
other
Eu1Cu4P3
8
123
119.44
mp-1023208
-8.286104
-11.44863
6.526837
other
Ca1Mg6W1
8
123
175.18
mp-1225076
-7.973668
-5.682266
5.996917
other
Er2Al1Cu1
4
123
86.44
mp-505215
-5.553428
-4.365671
0.736412
other
Ba1Cu6As2
9
123
152.09
mp-985468
-7.943217
-4.29011
5.576902
other
Er2Ga8Co1
11
123
190.74
mp-1215292
-7.914658
-2.582922
3.344004
other
Zr1In1Ni2
4
123
65.38
mp-1211991
-3.439443
-1.599107
-4.159149
other
K2Li1S2
5
123
265.3
mp-1025325
-7.823833
-4.106562
5.178586
other
Np1Ga5Co1
7
123
120.4
mp-11873
-7.531614
-4.214452
1.283682
other
Tl1As1Pd5
7
123
115.95
mp-1222278
1.558719
2.841343
-3.735815
other
Li1I1O1
3
123
58.95
mp-1219411
-2.555592
0.472417
2.552655
other
Sc12B3C12
27
123
343.5
mp-1079433
-3.440534
-6.162733
6.279779
other
Ba1Mg4Si3
8
123
182.72
mp-20996
-8.155656
-5.362297
4.28262
other
Dy1In5Rh1
7
123
159.35
mp-1102596
-8.044891
-5.813092
4.718163
other
Sm2In8Co1
11
123
263.19
mp-1206833
-3.402693
-2.619177
-3.333607
other
Dy2S2F1
5
123
137.42
mp-1221629
-8.126954
-2.144073
3.405039
other
Mn1Ga1Rh2
4
123
56.4
mp-1207303
1.720319
2.293298
-4.637391
other
Pb2Cl2F1
5
123
174.78
mp-1206439
-5.150641
-5.363873
1.108824
other
Th2Bi1Te2
5
123
188.25
mp-1206705
0.533652
1.62625
-3.366866
other
Sm2I2O1
5
123
221.64
mp-1215335
-8.719293
-6.002402
2.850893
other
Zr1Al1Au2
4
123
72.8
mp-1217677
-8.670371
-6.362977
5.161696
other
Tb2Cu1Ag1
4
123
88.86
mp-753506
-3.837745
-1.753819
-5.397903
other
Li1Bi1S2
4
123
87.34
mp-1222306
11.410204
8.806759
-0.264223
other
Li1Ga1O2
4
123
34.81
mp-1207259
0.980462
1.482636
-3.462605
other
Tb2Br2O1
5
123
228.56
mp-1207045
0.917765
1.697612
-3.376432
other
Ca2Br2F1
5
123
334.05
mp-1226795
-3.604215
-1.828154
-5.629861
other
Cd1Pb1S2
4
123
97
mp-1218326
11.260267
10.328983
1.253107
other
Sr2Cr2O4
8
123
114.31
mp-1096819
7.257066
11.994045
1.864711
other
Sr4Mn4O10
18
123
240.98
mp-1208947
0.966744
1.771121
-3.500564
other
Sr2H1I2
5
123
2,113.03
mp-1206186
-5.311961
-4.588427
5.46837
other
Dy2Si3Pt3
8
123
161.49
mp-1207136
-0.429476
0.573113
-0.245625
other
Rb1Ag1C2
4
123
110.81
mp-1210730
-3.244448
-7.45063
1.131639
other
Na2Mg1As2
5
123
1,020.12
mp-1225483
-7.414113
-5.99772
4.123908
other
Er1In2Sn1
4
123
98.3
mp-1216672
-8.074907
-1.923948
2.906827
other
Ti1Zn1Ni2
4
123
51.09
mp-1223830
-8.36066
-2.226688
4.008149
other
Hf2B1Ir6
9
123
131.64
mp-1186384
12.133922
9.89772
1.597586
other
Pa2Rh2O5
9
123
111.97
mp-752688
11.046822
11.248286
0.044412
other
Mn2Cd2O4
8
123
101.29
mp-1078014
-7.770156
-3.201883
2.567553
other
Si1Sb1Pt5
7
123
116.32
mp-1207279
1.32502
1.796541
-3.829921
other
Yb2Cl2F1
5
123
352.66
mp-9486
8.814226
0.802437
1.448797
other
K2Al1F5
8
123
127.82
mp-1225050
-8.078179
-3.142189
2.397022
other
Er2B1Pt6
9
123
145.9
mp-1207997
-4.563795
-4.192607
1.578305
other
U2I2N1
5
123
206.3
mp-1025386
-7.904151
-3.234119
2.25237
other
Hg1P1Pt5
7
123
111.87
mp-1226486
-3.641016
1.846002
2.950107
other
Ce1Th1B12
14
123
139.49
mp-1023329
-7.297563
-10.180987
6.470211
other
Ca1Mg6Zr1
8
123
195.34
mp-1228910
-6.953557
-0.642218
4.282044
other
Al2Fe1Ni1
4
123
46.12
mp-1078125
-8.099321
-5.576301
4.475903
other
Nd1In5Co1
7
123
159.18
mp-1215896
10.837629
8.911745
3.157546
other
Y1Pa1O4
6
123
77.05
mp-1208621
-8.424883
-6.113067
2.822876
other
Sr1Ga4Au3
8
123
165.35
mp-1021393
-7.583861
-11.343624
6.209171
other
K1Mg6Mo1
8
123
189.14
mp-1216677
-8.240722
-4.653207
1.838711
other
Tl4Pd15Pb1
20
123
345.33
mp-541849
-7.668888
-1.313754
4.3714
other
Al6B4Ru8
18
123
210.88
mp-1207378
0.941724
1.665489
-3.460525
other
La2Br2O1
5
123
294.27
mp-1215913
-3.412766
1.207532
2.77991
other
Y1Co1C1
3
123
46.07
mp-1222298
-2.646864
-2.675071
-5.73197
other
Li1Pr1S2
4
123
92.42
mp-1206426
-2.897718
-8.254788
1.372833
other
Pr2Ag1Sb3
6
123
3,513.4
mp-1214876
1.2127
1.500334
-3.571662
other
Ba2H1Cl2
5
123
573.55
mp-1207235
1.09338
2.065613
-3.433243
other
Yb2I2O1
5
123
556.85
mp-21398
-7.978422
-5.650245
4.365355
other
Ho1In5Co1
7
123
152.88
mp-1191683
9.78958
8.951738
3.222789
other
Ce7Zr1O16
24
123
320.02
mp-1220743
-8.10362
-1.573995
2.62254
other
Nb1Ga3Ni12
16
123
181.2
mp-1025324
-7.809309
-3.232353
2.595312
other
Si1Sn1Pt5
7
123
111.73
mp-20441
-7.311324
-0.043704
3.810081
other
Mn2Co2C1
5
123
54.04
mp-1224797
-8.032958
-0.921198
3.356797
other
Ga1Co2Ni1
4
123
45.97
mp-1219730
-4.133833
-4.064587
0.793523
other
Pr1U1P2
4
123
95.54
mp-10136
-5.022337
0.076734
3.20236
other
Ti4Re2B4
10
127
112.49
mp-1205030
-7.722116
-4.774223
3.365824
other
Sm10Sn20Rh8
38
127
922.91
mp-1214056
-6.728271
-5.958329
5.516889
other
Ce18In4Cu2
24
127
662.72
mp-1079644
-6.964942
-4.623193
5.614279
other
Tm4Cd2Ge4
10
127
213.63
mp-1207530
-8.817036
-1.653653
3.948081
other
Zn22B16Rh36
74
127
923.4
mp-1205689
-8.791577
-5.881303
3.957231
other
Nd4Cd2Pd4
10
127
236.56
mp-1207894
-7.227459
-2.809888
4.759455
other
U4Ga2Co4
10
127
170.27
mp-20705
-7.482306
-3.079432
4.300062
other
U4Sn2Ru4
10
127
196.65
mp-21288
-6.992399
-4.89026
5.41831
other
La4In2Ge4
10
127
265.11
mp-1095204
-8.099622
-4.912593
5.038689
other
Tm4Ni4Sn2
10
127
187.93
mp-1079822
-8.215943
-4.768799
3.349594
other
Hf4In2Pd4
10
127
188.58
mp-19906
-7.182774
-3.174538
3.865117
other
Zr4In2Ni4
10
127
171.2
mp-1200816
-8.089179
-3.652773
5.417107
other
Gd12Ga42Co14
68
127
1,175.37
mp-1206454
-8.738702
-5.740527
4.79332
other
Er4Cd2Cu4
10
127
201.29