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-1023169
-7.747995
-11.016464
5.60912
other
Mg12Mn2Cu2
16
38
315.83
mp-1022235
-7.684088
-10.11792
6.419332
other
La2Mg12Fe2
16
38
360.25
mp-1100151
-6.953956
-11.656953
5.111014
other
Mg6B1Sb1
8
38
166.32
mp-1217951
-6.128567
-2.043919
3.880777
other
Ta4Ti4Co4
12
38
179.13
mp-1021788
-8.416508
-11.44264
5.997582
other
Mg12Ni2W2
16
38
295.22
mp-1028230
-7.044503
-11.330319
5.752966
other
Mg14Al1B1
16
38
335.87
mp-1217612
-7.862355
-4.187291
5.929505
other
Tb4Al4Ni4
12
38
204.89
mp-759670
9.517005
0.934291
-0.373211
other
Ni6O1F11
18
38
204.56
mp-1021693
-7.089935
-11.154441
6.214501
other
Sr1Mg6V1
8
38
199.84
mp-1224041
-7.251617
0.472526
5.044078
other
Ho2Fe9Si3
14
38
190.65
mp-1219470
-3.264818
-1.860827
-5.335095
other
Sb1Pb1S2
4
38
101.68
mp-1021317
-6.518222
-10.967484
5.855155
other
Sr2Li2Mg12
16
38
420.12
mp-1016614
-8.687297
-11.344161
6.155015
other
Mg12Cr2W2
16
38
309.88
mp-1017095
-7.258213
-11.141998
4.451931
other
Mg12Ga2Bi2
16
38
373.24
mp-1226937
-5.16577
-4.552172
5.877913
other
Ce3Th3Si4
10
38
257.18
mp-1023382
-6.925079
-10.914641
5.871805
other
Ca2Mg12Ni2
16
38
360.34
mp-1026803
-7.202447
-10.934004
5.326875
other
Li1Mg14Cd1
16
38
362.06
mp-1021404
-6.302174
-11.320814
5.68622
other
Cs2Mg12Sn2
16
38
476.05
mp-1017171
-6.139323
-11.175004
5.869682
other
Rb2Ba2Mg12
16
38
530.72
mp-1215246
-6.475223
-3.195056
4.020132
other
Zr4Ti4Rh4
12
38
213.88
mp-1016616
-7.556953
-11.129673
4.97644
other
Mg12Cr2Sb2
16
38
349.28
mp-1028234
-7.152361
-10.889101
5.217458
other
Mg14Al1Sn1
16
38
361.43
mp-998240
8.298027
1.052549
0.822081
other
Cs2Tl2F6
10
38
206.64
mp-1222497
-7.346633
-3.578085
5.640617
other
Lu1Al8Ni3
12
38
192.85
mp-552177
11.108392
7.860385
2.886061
other
Ce4Se3O4
11
38
215.29
mp-1026843
-7.116579
-11.076655
5.642481
other
Li1Mg14Si1
16
38
348.74
mp-1028351
-7.743791
-10.472127
6.285855
other
Mg14Nb1Ni1
16
38
333.59
mp-1100167
-6.554747
-11.127838
5.808371
other
Ba1Mg6Ga1
8
38
219.12
mp-1098076
-7.115225
-10.888995
6.567646
other
Ce1Mg6B1
8
38
176.01
mp-2217095
12.692462
10.650821
2.075599
other
Mg1Nb2O5
8
38
111.63
mp-1022610
-7.916244
-11.006425
5.82306
other
Mg12V2Zn2
16
38
325.99
mp-1026697
-7.106645
-10.95157
5.560885
other
Na1Mg14Ga1
16
38
363.98
mp-1217195
-5.708407
-2.639282
3.703895
other
Ti5Nb5Ge6
16
38
272.04
mp-1022545
-7.715819
-9.618974
6.645893
other
Mg12Zr2Ti2
16
38
352.61
mp-1224897
-6.167244
-0.717947
3.48649
other
Fe4Si4Mo4
12
38
149.83
mp-1021287
-6.967995
-11.095491
5.772335
other
Li2Mg12Si2
16
38
331.66
mp-1017054
-8.371161
-11.791164
6.282327
other
Mg12W2C2
16
38
281.67
mp-1224047
-4.540805
-1.164954
-2.937575
other
K4Nb6Se12
22
38
543.96
mp-1225572
-4.993536
-3.836735
6.15157
other
Er2Fe1Si4
7
38
126.43
mp-1087231
-6.76959
-4.833788
4.261646
other
Yb2Ge6Pd1
9
38
188.08
mp-1021384
-8.583056
-11.006798
6.324601
other
Mg12Ti2W2
16
38
318.77
mp-1028115
-7.380563
-10.568685
6.363751
other
Ca1Mg14Nb1
16
38
369.95
mp-1022537
-7.417913
-10.151826
6.335377
other
Li2Mg12Zr2
16
38
357.68
mp-1227127
-6.111002
-7.358764
4.010742
other
Ca4Mg4Cd4
12
38
313.01
mp-1224074
10.964946
11.550527
2.9583
other
K6Nb11O30
47
38
672.69
mp-1098327
-6.515409
-11.263693
5.684657
other
Rb1Mg6Co1
8
38
220.25
mp-1205942
-6.982845
-4.214073
5.16318
other
Tm2Ni1Ge6
9
38
170.46
mp-1218096
-5.511209
-2.358922
4.093143
other
Ta4Al4Cu4
12
38
172.03
mp-1215302
-7.801948
-4.487164
3.863872
other
Zr4Al4Pd4
12
38
210.12
mp-1028237
-7.056482
-10.919829
5.626097
other
Na1Mg14Al1
16
38
365.79
mp-1026662
-7.021051
-10.829071
6.2664
other
Rb1Mg14Nb1
16
38
386.83
mp-1023289
-8.331761
-11.117946
6.068787
other
Mg12Al2W2
16
38
314.22
mp-1022458
-7.684716
-10.13624
6.336788
other
Mg12Zr2Cd2
16
38
358.35
mp-1022616
-7.308807
-11.012197
5.223298
other
Mg12Zn2Ga2
16
38
332.36
mp-777544
10.662169
0.723484
-0.988753
other
Co6O3F9
18
38
209.71
mp-1022463
-7.746576
-10.106578
6.371616
other
Mg12Zr2Ga2
16
38
344.39
mp-1026401
-6.804299
-11.081243
5.70978
other
K1Li1Mg14
16
38
391
mp-1017064
-6.587961
-11.349493
5.213421
other
Rb2Mg12Bi2
16
38
452.61
mp-1016609
-6.613358
-11.39049
5.349569
other
Ba2Mg12Sb2
16
38
448.66
mp-1022348
-6.439193
-11.392225
5.929937
other
Cs2Mg12Fe2
16
38
435.77
mp-1021706
-7.240521
-11.183859
4.669791
other
Mg12Ni2Sb2
16
38
330.8
mp-1217084
-7.026336
-2.73116
4.208351
other
Ti4Al4Ni4
12
38
168.85
mp-1022650
-7.538322
-10.147868
6.419849
other
Y2Mg12Cd2
16
38
385.02
mp-754050
8.813528
15.472301
-1.530422
other
Mn2O3F1
6
38
64.45
mp-1021319
-7.283702
-11.341804
6.712603
other
Mg12Ti2B2
16
38
299.86
mp-1021280
-7.173965
-11.228889
4.57618
other
Li2Mg12Bi2
16
38
371.17
mp-1099089
-7.563185
-10.957058
5.358805
other
Mg14Co1Ni1
16
38
324.33
mp-1028326
-6.957968
-11.245163
6.10536
other
Cs1Mg14V1
16
38
390.97
mp-1216953
-7.05649
-2.056671
5.224667
other
U4Mn4Al4
12
38
199.57
mp-1021311
-7.150393
-10.605892
6.694355
other
K1Mg6Nb1
8
38
196.93
mp-1022962
-7.809463
-9.508062
6.672536
other
Ce2Y2Mg12
16
38
413.45
mp-29932
-5.355203
-3.195031
1.170446
other
Zr5P7Pd9
21
38
330.82
mp-1215600
-7.004261
-3.232723
4.175134
other
Zr2Co1Ni1
4
38
64.97
mp-1022672
-6.919662
-11.556851
5.645248
other
Mg6Zn1B1
8
38
155.32
mp-1022384
-7.734863
-9.506521
6.692125
other
Hf2Mg12Zr2
16
38
359.94
mp-1285654
6.831334
10.22705
-0.728442
other
Rb4Co2O6
12
38
210.05
mp-1021687
-7.501444
-11.246424
5.953963
other
Mg12V2Si2
16
38
319.52
mp-1100174
-6.404467
-11.374696
5.31912
other
Cs1Mg6Bi1
8
38
237.18
mp-1220393
-6.197703
-1.416906
4.056968
other
Nb4Cr4Ga4
12
38
179.09
mp-5684
-6.941288
-4.439752
5.009081
other
Ce2Cu1Ge6
9
38
185.54
mp-1026626
-6.516111
-11.135236
5.991798
other
Rb1Ba1Mg14
16
38
432.94
mp-1023360
-6.254231
-11.280042
5.955297
other
Cs2Mg12Al2
16
38
447.59
mp-2215836
12.681525
12.324465
-1.464203
other
Mg1V4O8
13
38
163.81
mp-1028320
-7.469247
-11.011385
5.866704
other
Li1Mg14V1
16
38
352.13
mp-1016647
-6.342834
-11.548391
6.184103
other
Ba1Mg6B1
8
38
202.76
mp-1099318
-7.017952
-11.111298
6.507371
other
La1Mg6B1
8
38
183.68
mp-1017057
-8.342014
-12.007257
6.424198
other
Mg12B2W2
16
38
284.66
mp-1021277
-7.142062
-11.170145
4.761591
other
Li2Mg12Sb2
16
38
360.57
mp-1226327
-5.2901
0.36596
3.240291
other
Cr3B4Mo3
10
38
104.35
mp-779339
11.853966
1.308484
2.676156
other
Fe6O2F10
18
38
223.98
mp-752977
6.294504
13.061166
-2.727078
other
Co6O9F3
18
38
180.92
mp-1016372
-6.398399
-11.411251
5.358293
other
Cs1Mg6Sb1
8
38
252.83
mp-1017455
-7.810417
-9.629964
6.719499
other
La2Hf2Mg12
16
38
396.45
mp-1099331
-7.263519
-10.35609
5.559787
other
Ce1Mg6Bi1
8
38
208.39
mp-1220078
-6.766551
-3.434144
1.042858
other
Ni2As3Pd4
9
38
133.47
mp-1021420
-6.746106
-10.490255
6.281219
other
K2La2Mg12
16
38
460.44
mp-1026659
-7.082423
-10.983819
5.138191
other
Na1Mg14Sb1
16
38
375
mp-1017119
-6.949845
-11.509455
5.163706
other
Mg12Sb2C2
16
38
325.98
mp-1017436
-7.481699
-10.746284
6.495427
other
Mg12Nb2Si2
16
38
317.34
mp-1026583
-6.905551
-10.931718
5.778544
other
Sr1Mg14Cd1
16
38
395.34