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-776272
7.941561
13.883167
-1.645631
other
Mn10Fe2O24
36
15
427.64
mp-753709
-1.182212
1.890148
-1.6653
other
Ba2Ca2I8
12
15
512.75
mp-756564
1.105698
1.631761
-5.093804
other
Ba2Y2Cl10
14
15
371.12
mp-572430
7.759083
9.875691
-3.767454
other
Ba8Cr16O56
80
15
1,287.09
mp-754144
-1.258294
1.984674
-1.718068
other
Ba2Y2I10
14
15
753.18
mp-1178516
-1.236398
1.956312
-1.636819
other
Ba2Sr4I12
18
15
846.26
mp-698669
11.468432
11.083493
-3.966441
other
Nd4Mo6O24
34
15
491.39
mp-14152
10.510486
10.673264
3.284904
other
Sm2Nb2O8
12
15
156.83
mp-1043238
12.733659
8.850271
-1.719143
other
Ge4Mo2O12
18
15
250.7
mp-1247401
0.839497
2.133234
1.697592
other
Ba6Os4N8
18
15
337.77
mp-5414
-3.586735
-1.437765
-5.284612
other
Na2Sb2S4
8
15
193.51
mp-1104448
14.4831
5.452488
-2.089031
other
Fe4B8O16
28
15
224.24
mp-761026
10.145832
11.912885
-1.880996
other
Na10V2O10
22
15
299.34
mp-29302
-3.173212
-1.71632
-5.555962
other
Ba6Ga4S12
22
15
608.19
mp-773953
1.111314
1.693669
-5.213314
other
Ba8La4Cl28
40
15
1,296.95
mp-1209922
2.233355
2.794595
-4.244505
other
Nb2N2Cl12
16
15
492.6
mp-556506
10.271432
0.424198
0.433356
other
Mn4Cd4F20
28
15
396.92
mp-1212624
9.676108
7.738698
-3.111487
other
Ge14N4O30
48
15
734.44
mp-1101484
13.515159
6.808217
-5.997333
other
Sn4P6O20
30
15
523.91
mp-753643
10.125901
2.131093
1.601742
other
Li4V2F10
16
15
175.96
mp-1246996
1.1528
2.134875
1.684359
other
Sr6Mn4N8
18
15
270.76
mp-1303680
6.469199
14.306854
-1.81709
other
Li6Co8O16
30
15
280.97
mp-772744
13.460672
5.780191
-6.911231
other
Tm4P8O26
38
15
497.22
mp-727928
7.167187
6.133062
-3.820749
other
Sb16Cl4O42
62
15
1,078.72
mp-542445
8.718507
1.405565
1.700605
other
K4Pa2F14
20
15
302.96
mp-1202497
9.051951
5.501886
-6.277876
other
Rb24S16O64
104
15
1,852.31
mp-729138
8.653196
7.657288
-5.140033
other
Sn2P4O18
24
15
336.04
mp-1304693
7.099427
12.955286
-1.817158
other
Co4Ni2O8
14
15
145.48
mp-756176
-4.999323
-0.411593
-5.743847
other
Li8Cr4S12
24
15
383.84
mp-555102
13.23459
4.758993
-2.697544
other
Ni4B8O16
28
15
213.67
mp-15113
12.855192
6.291526
-0.908387
other
Na4Si6O14
24
15
252.77
mp-1204574
7.73438
7.810974
-4.284896
other
Fe6P16O74
96
15
1,406.53
mp-1215756
8.535187
1.493892
0.982714
other
Zr6Bi2F30
38
15
514.82
mp-1209391
8.42269
6.872281
-3.810545
other
Rb6Se4O16
26
15
512.13
mp-561875
8.019749
10.666504
-0.393219
other
Na20Co8O20
48
15
683.14
mp-989623
1.034799
2.350247
1.678258
other
Sr4Re4N12
20
15
340.57
mp-569670
-0.995711
1.111398
-1.553073
other
La2Nd2I8
12
15
454.59
mp-1220031
11.481356
11.115211
-4.029509
other
Pr4Mo6O24
34
15
501.08
mp-1179320
10.152632
9.255838
-1.809254
other
Sr24Te24O72
120
15
2,262.3
mp-545622
10.945806
11.347068
-2.393652
other
Zn2W2O8
12
15
158.91
mp-1207911
-8.021677
-3.572789
2.752533
other
Y4Ge6Pt18
28
15
470.3
mp-1245730
2.137845
2.408294
1.194247
other
Sn4Pb10N12
26
15
546.52
mp-752898
9.469808
0.630084
-0.316168
other
Li2Cu6F14
22
15
264.03
mp-1046352
10.842777
10.961543
-3.284267
other
Ta4Mo2O16
22
15
314.04
mp-17024
1.526039
1.857526
1.570542
other
Ba8Nb4N12
24
15
494.19
mp-680674
-0.48053
1.237916
-4.702268
other
Cs6Bi4Br18
28
15
1,177.05
mp-1189104
-3.33659
-4.261867
0.677088
other
Eu6Ga4P8
18
15
429.5
mp-758107
9.228187
7.657828
-5.122593
other
Yb4P8O26
38
15
513.93
mp-672715
-3.786372
-1.518202
-5.18386
other
Ba14Fe12S28
54
15
1,414.78
mp-1246127
1.046368
2.073381
1.431147
other
Ca6Ir4N8
18
15
263.05
mp-765284
10.4952
0.892299
1.668205
other
Li4Mn8F20
32
15
430.16
mp-849512
11.664462
10.742945
-0.231721
other
Na14V4O12
30
15
460.24
mp-29606
9.65691
8.719062
0.321895
other
Rb4Zn6O8
18
15
278.54
mp-772874
6.396238
8.988294
-0.931476
other
Ca6Bi12O30
48
15
854.83
mp-1308681
5.473139
11.063686
-2.173579
other
Li6Fe6O16
28
15
287.84
mp-5586
9.868129
8.44819
3.224517
other
Na4Er4O8
16
15
209.3
mp-1246184
0.478916
2.783758
1.746383
other
Fe4Ni6N8
18
15
166.86
mp-1247293
1.710518
2.453949
1.342425
other
Cr4Bi8N12
24
15
416.78
mp-1189553
2.899538
3.12965
-4.372491
other
Sb2Cl12O4
18
15
488.2
mp-26198
9.249421
8.317071
-5.983486
other
Co4P8O28
40
15
454.74
mp-752669
10.150345
9.570212
3.655371
other
Ce2Hf2O8
12
15
156.63
mp-4078
11.730227
4.043137
-7.02593
other
La4S2O12
18
15
246.18
mp-774407
11.307491
11.2056
-2.798732
other
Hg8W8O28
44
15
691.14
mp-1005831
-7.885594
-2.524611
5.268058
other
Tb4Co6Ge10
20
15
326.57
mp-1178024
7.809745
10.089184
-3.931403
other
Li4Cr4O14
22
15
310.72
mp-30541
-4.753392
-1.806112
1.139333
other
Nb2Ni8P32
42
15
624.29
mp-1194399
8.666041
3.657489
-7.077071
other
Ca6C6O18
30
15
376.26
mp-17867
-4.687043
-1.842243
1.128736
other
Mn4Nb2P24
30
15
447.58
mp-31248
10.587806
9.470217
-1.759782
other
Ce4Te8O22
34
15
544.66
mp-570423
-1.169807
1.827851
-1.520379
other
Ba12Pr6I38
56
15
2,357.39
mp-541735
-3.432851
-0.674042
-4.902693
other
K8Ti6S28
42
15
1,019
mp-28092
6.49589
0.414764
-3.478781
other
B40H52O2
94
15
1,021.52
mp-1207722
2.09486
2.785902
-4.419075
other
W2N2Cl12
16
15
502.17
mp-776271
1.883081
1.75927
2.777147
other
Zr12N12O6
30
15
397.74
mp-771772
13.824712
4.51927
-1.813004
other
Lu8B12O30
50
15
469.44
mp-729904
7.705109
6.878052
-4.079246
other
V16Se16O104
136
15
2,674.11
mp-1190580
-4.773007
1.149511
3.2601
other
Ce4Re6B12
22
15
268.94
mp-1203441
2.728635
2.625397
-4.469084
other
Si32C12Cl80
124
15
3,398.88
mp-1195696
11.153895
11.040151
-3.968375
other
Gd4Mo6O24
34
15
487.14
mp-1245577
2.389179
2.230984
1.53602
other
Ga4Sn6N8
18
15
322.23
mp-1387359
9.509642
2.520648
1.790969
other
Ca2V2F8
12
15
161.73
mp-1095378
8.793543
7.250395
-4.063197
other
As2Au2O8
12
15
183.84
mp-622116
8.842721
2.479714
-0.590445
other
Re8O8F32
48
15
744.08
mp-1189452
6.554376
6.057528
-3.732982
other
Cr2Cl6O12
20
15
398.2
mp-1193139
6.31278
5.473535
-4.279248
other
Sr2N4O20
26
15
417.15
mp-1214771
2.484244
2.883689
-4.013228
other
Au2N2Cl8
12
15
363.02
mp-647283
13.890786
4.334819
-1.903548
other
Ho20B40O90
150
15
1,367.88
mp-1354918
10.601931
8.070704
-7.05695
other
Fe2P8O24
34
15
459.8
mp-570477
-1.010082
1.126284
-1.525499
other
La2Sm2I8
12
15
450.48
mp-1246109
0.746548
2.589828
1.751144
other
Mn6In4N8
18
15
260.28
mp-542067
-3.439127
-0.686073
-4.945266
other
Rb8Ti6S28
42
15
1,084.17
mp-1246530
1.412375
1.928766
1.553735
other
Sr10Cr4N12
26
15
453.98
mp-1181155
8.012836
4.270856
-4.655391
other
H4N4O4
12
15
127.97
mp-1178521
-1.207449
1.82534
-1.610531
other
Ba2La2I10
14
15
585.61
mp-30110
-1.026471
1.518171
-1.610923
other
Sr2La2I8
12
15
481.71
mp-770928
7.026124
12.864323
-1.575969
other
Li12Cr4O16
32
15
275.16
mp-1205351
-3.22459
-3.543292
-4.473647
other
La8Se6N4
18
15
459.09
mp-30540
-4.654816
-1.782305
0.99011
other
V2Ni8P32
42
15
603.78
mp-757247
10.110928
12.134302
-3.965604
other
V4Cu4O14
22
15
293.24
mp-29194
-4.580751
-2.721404
-4.08639
other
Cs4Au4Se6
14
15
493.59