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-769855
7.956234
11.77414
0.934237
other
Sr4Cr4O12
20
40
248.02
mp-760477
13.587153
4.789219
-1.361141
other
Sm2B2O6
10
40
128.5
mp-1216977
-6.283722
-0.796467
3.399073
other
V4Fe2Ge2
8
40
98.52
mp-762996
13.219547
0.403374
0.861923
other
Fe8O8F8
24
40
278.39
mp-1225988
-3.689434
-5.130509
5.854012
other
K8In18Si28
54
40
1,387.07
mp-1101913
8.029836
7.570503
-4.161864
other
Mn2Se2O8
12
40
188.08
mp-760457
13.566463
4.675451
-1.357047
other
Y2B2O6
10
40
121.23
mp-1198684
8.187959
8.71647
-3.808428
other
K12Mo14O68
94
40
1,652.88
mp-1221902
-4.978806
-4.681499
0.211789
other
Nd2Zn6As6
14
40
306.05
mp-1100876
13.553217
4.636071
-1.346654
other
Y2B2O6
10
40
123.11
mp-1215721
-8.875448
-4.694056
3.014223
other
Zn22Sb2Ru6
30
40
465.28
mp-504498
-5.178915
-7.124701
2.11856
other
K4Cd2Pb2
8
40
324.39
mp-1095543
5.328068
-0.428844
-2.961302
other
Li2B2H8
12
40
100.47
mp-765687
14.737497
12.231479
-0.883409
other
V8O8F8
24
40
262.82
mp-1222450
13.592917
4.686929
-1.40475
other
Lu2B2O6
10
40
113.67
mp-1224111
-6.458674
-6.25174
2.140657
other
K8Zn4Sn42
54
40
1,798.24
mp-781082
7.936441
11.758971
0.946548
other
Sr14Cr14O42
70
40
860.71
mp-644271
-3.102818
-1.168483
-5.480115
other
Li2H2S2
6
40
93.66
mp-1220597
2.679999
-0.000694
-1.394433
other
Nb6Sn2H4
12
40
161.73
mp-579552
9.458063
4.060367
-5.82574
other
La24C12O60
96
40
1,365.18
mp-989603
0.875455
2.572301
1.759875
other
La2Mo2N6
10
40
162.76
mp-1228673
-7.30917
-1.563592
2.756127
other
Al2Si18Ni32
52
40
582.93
mp-1223628
-5.134279
-5.046953
0.415114
other
La2Cd6As6
14
40
371.11
mp-866810
-3.385977
-1.746245
-5.638305
other
Ca4Sn2S8
14
40
348.63
mp-1217607
13.64364
4.660573
-1.460668
other
Tb2B2O6
10
40
119.31
mp-1220229
-4.974952
-4.739153
0.20214
other
Pr2Zn6As6
14
40
308.83
mp-1099330
-7.812768
-9.88168
6.506447
other
Ce1Mg6Ga1
8
38
188.67
mp-1021279
-6.916049
-11.408584
5.943257
other
Li2Mg12C2
16
38
316.39
mp-1028413
-7.409547
-10.928501
5.346217
other
Mg14Ga1Co1
16
38
335.84
mp-1224912
-6.177214
-0.49948
3.413737
other
Fe4Si4W4
12
38
150.65
mp-1026484
-7.520991
-11.488269
5.897658
other
Mg14B1Mo1
16
38
327.05
mp-1023052
-7.714191
-10.2201
6.63054
other
Y2Mg12Co2
16
38
345.06
mp-1023483
-7.220906
-10.890206
5.375439
other
Mg12Al2Zn2
16
38
332.36
mp-1022975
-7.202361
-10.987904
5.776178
other
Na2Mg12Mn2
16
38
359.33
mp-1026540
-7.120968
-11.378808
5.634632
other
Mg14Ga1C1
16
38
342.14
mp-694895
11.499453
11.307777
-2.471502
other
Ge3W18O54
75
38
1,150.07
mp-1023484
-7.351483
-10.803744
5.403679
other
Mg12Al2Cu2
16
38
315.31
mp-1021906
-7.198799
-11.64551
5.695656
other
Mg12Ni2C2
16
38
288.17
mp-1028058
-7.034614
-10.717381
6.272826
other
Sr1Y1Mg14
16
38
404.83
mp-1226349
-5.324227
0.541173
3.154373
other
Cr3Ni1B6
10
38
78.76
mp-1021757
-8.402083
-11.324823
6.002477
other
Mg12Ni2W2
16
38
293.4
mp-866894
-3.415565
-1.68374
-5.552037
other
Ca1Sn1S3
5
38
131.57
mp-1021697
-7.93726
-10.400088
6.505278
other
Mg12Ti2V2
16
38
332.16
mp-1246674
0.915198
2.415159
1.664645
other
Li1Mn1N1
3
38
35.51
mp-1021699
-8.055841
-10.199186
6.316345
other
Mg12Nb2V2
16
38
325.98
mp-1028376
-7.705899
-10.44752
6.280838
other
Hf1Mg14Ni1
16
38
342.69
mp-1026860
-6.770698
-11.121815
5.80132
other
Rb1Li1Mg14
16
38
396.66
mp-1227379
-7.379737
-5.318635
3.568398
other
Ce2Ni1Sn4
7
38
178.53
mp-1026663
-6.659356
-11.379879
6.11214
other
Cs1Mg14C1
16
38
387.45
mp-1021304
-6.200498
-11.024373
5.747911
other
K2Na2Mg12
16
38
443.03
mp-1022634
-7.328072
-10.607183
5.572183
other
Y2Mg12Bi2
16
38
403.5
mp-1017200
-7.757514
-10.147157
6.448711
other
Hf2Mg12Cd2
16
38
354.73
mp-1017221
-7.059987
-11.71352
5.591305
other
Mg12Cd2C2
16
38
314.64
mp-1022206
-7.996286
-10.976345
5.855583
other
Mg12V2Fe2
16
38
313.45
mp-1022061
-7.6361
-10.097976
6.43812
other
La2Mg12Ni2
16
38
369.81
mp-1016552
-7.032077
-10.770256
6.673983
other
Ba2Mg12Nb2
16
38
408.49
mp-755296
5.111041
11.089982
-2.309353
other
Fe6O11F1
18
38
191.79
mp-1219754
10.373
11.618993
2.888601
other
Pr1Nb4O12
17
38
249.78
mp-1219356
-8.325911
-4.228001
4.988717
other
Sc4Al4Cu4
12
38
197.64
mp-5106
-2.839545
0.655659
2.547714
other
Tb1Co1C2
4
38
48.04
mp-1028173
-7.047055
-10.934344
5.822428
other
Ca1Mg14Zn1
16
38
372.75
mp-1028374
-6.848483
-11.174384
5.754137
other
Rb1Mg14Ni1
16
38
381.54
mp-1021654
-7.432678
-10.1694
6.048404
other
Ce2Mg12Sn2
16
38
397.07
mp-1022543
-7.482731
-10.393078
5.95787
other
Mg12Zr2Sn2
16
38
362.16
mp-1023285
-6.938435
-11.076263
5.710091
other
Mg12Al2Si2
16
38
330.66
mp-1022586
-7.686886
-10.070311
6.470346
other
Ce1Mg6Ni1
8
38
180.31
mp-1218998
-7.996562
-5.509366
5.994571
other
Sm1Y1Ni2
4
38
81.57
mp-1220478
-5.840213
-1.843779
4.044289
other
Nb4V4Si4
12
38
175.2
mp-1026491
-7.809254
-11.489692
6.032673
other
Mg14B1W1
16
38
324.69
mp-1022236
-7.712649
-10.115258
6.502033
other
Ce1Mg6Fe1
8
38
181.94
mp-1022598
-7.859443
-10.226409
6.474192
other
Mg12Nb2Zn2
16
38
325.25
mp-1079285
-7.421499
-6.38201
5.884921
other
Tb6Fe1Bi2
9
38
254.72
mp-2222853
-4.165343
0.010578
-4.602287
other
Mg1Mo2S4
7
38
160.06
mp-1065668
-2.535085
0.6406
2.36757
other
Gd1Ni1C2
4
38
49.75
mp-1026898
-7.289053
-11.160872
4.838702
other
Mg14Cu1Bi1
16
38
359.43
mp-1022594
-7.313574
-11.006032
5.225248
other
Mg12Zn2Ga2
16
38
331.36
mp-1022831
-7.398727
-10.467278
6.528409
other
Y2Mg12Si2
16
38
359.99
mp-1216281
-5.799958
-0.844011
3.621755
other
V4Si4W4
12
38
164.78
mp-1017037
-7.269962
-10.907439
5.105336
other
Mg12Cd2Ga2
16
38
346.74
mp-1021359
-7.487649
-10.43826
6.47017
other
Li2Mg12Ti2
16
38
344.62
mp-1021414
-6.849581
-10.897791
5.100478
other
Na2Mg12Sn2
16
38
380.7
mp-1026556
-7.299016
-11.26897
5.936744
other
Mg14Cr1C1
16
38
338.26
mp-1021708
-7.971899
-10.390477
6.513407
other
Mg12Ti2V2
16
38
327.79
mp-1022507
-6.670157
-11.260113
5.839418
other
K2Mg12Fe2
16
38
388.28
mp-1022387
-6.672004
-11.213399
5.851447
other
Ba1Mg6Fe1
8
38
214.66
mp-1028014
-7.202481
-10.967456
5.128757
other
Mg14Zn1Sn1
16
38
359.5
mp-1021292
-6.481819
-11.170988
5.679591
other
K2Mg12Cd2
16
38
418.52
mp-1021679
-7.822834
-10.954275
5.667546
other
Mg12V2Cd2
16
38
339.37
mp-1099288
-6.454162
-11.341067
5.810078
other
Rb1Mg6Co1
8
38
193.65
mp-1022216
-7.714266
-11.027379
5.539464
other
Mg12Ga2Fe2
16
38
313.76
mp-849219
15.13975
12.640141
-0.852173
other
V6O8F4
18
38
200
mp-1215304
-5.694861
-2.405598
4.76029
other
Zr4Co4Si4
12
38
172.8
mp-1023255
-6.809258
-10.85545
5.398811
other
Ca2Mg12Sn2
16
38
397.39
mp-1021348
-6.140309
-11.171868
5.776751
other
K2Rb2Mg12
16
38
529.71
mp-1023482
-7.345472
-10.829597
5.397292
other
Mg12Al2Cu2
16
38
316.44
mp-1023164
-6.666352
-11.457472
6.229595
other
Ca1Mg6C1
8
38
185.57
mp-1022109
-6.53144
-11.188165
5.518214
other
K1Mg6Ni1
8
38
208.66
mp-1026793
-7.386023
-10.940724
5.712932
other
Li1Mg14Cr1
16
38
354.55
mp-1017184
-7.230422
-11.130281
4.294631
other
Mg12Cd2Bi2
16
38
380.96
mp-1215764
-7.450016
-4.211082
5.059553
other
Yb4Al4Ni4
12
38
207.1