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-1203388
6.735676
5.435023
-4.215132
other
Te8N4O28
40
62
649.65
mp-25082
5.880978
3.443846
-4.57127
other
Mo4C24O24
52
62
841.56
mp-1102041
-5.791256
-1.317655
2.225859
other
Ta4Ni4P4
12
62
153.13
mp-1232245
-4.157798
-4.250494
-3.890506
other
Pr8Mg4Se16
28
62
802.81
mp-768942
9.567459
6.946879
-3.625283
other
Ho8Se12O36
56
62
787.7
mp-23049
1.49123
2.563434
-5.672842
other
K4Mn4Cl12
20
62
494.01
mp-26372
12.280558
8.995069
-5.291189
other
Mo4P4O20
28
62
342.31
mp-1189253
-3.314489
0.461447
2.76658
other
Dy4Mo4C8
16
62
209.29
mp-1193851
11.302012
10.891223
-3.414354
other
Rb8Mo4O16
28
62
569.64
mp-1207852
12.602961
11.224908
-0.042437
other
V4Sn4O12
20
62
239.54
mp-776288
10.636956
8.117913
-7.197264
other
Fe4P4O16
24
62
275.85
mp-1212890
-4.219617
-3.624022
-3.873895
other
Dy4Cr4Se12
20
62
424.93
mp-1044823
13.462066
6.031944
-7.279572
other
Ti8P8O36
52
62
697.01
mp-1246802
0.698072
2.603556
1.592813
other
Ni16C4N16
36
62
381.22
mp-20243
7.794336
11.249436
1.518143
other
Sm4Fe4O12
20
62
234.87
mp-1201248
-3.339247
-3.902482
0.521766
other
Cd4P56Pb4
64
62
1,517.91
mp-29476
-5.303244
-2.732375
-4.208514
other
Cu12Sb4Se12
28
62
589.05
mp-1196085
8.928622
11.7734
-0.610068
other
Fe16Bi8O36
60
62
851.64
mp-540839
-1.203643
2.84625
-2.891228
other
Cs4Pb4I12
20
62
930.85
mp-19767
-5.266022
-3.41664
6.097424
other
Dy4Co4Si4
12
62
198.03
mp-16863
-2.732669
-0.777815
-5.388939
other
Rb12P4S16
32
62
963.29
mp-1207537
7.267282
8.663396
-2.3217
other
Yb4Ga4O12
20
62
223.88
mp-5053
9.241586
1.015188
0.993409
other
K24Cr24F96
144
62
2,281.28
mp-1192723
-0.46582
1.419211
-4.904922
other
Cs8Cu4Br16
28
62
1,063.61
mp-771958
1.09497
1.660697
-5.186195
other
Ba12La4Cl36
52
62
1,704.08
mp-12021
8.642236
1.772248
-0.187021
other
Ag4B4F16
24
62
280.36
mp-1246725
-6.319481
-1.896231
-1.91675
other
Cr16Te12N8
36
62
681.11
mp-1192811
-2.681357
-2.742807
-5.827225
other
Er8Zn4S16
28
62
652.06
mp-18162
8.119562
11.266972
-0.289011
other
Li4Cu8O8
20
62
199.42
mp-19802
6.673378
11.609343
0.962046
other
Tb4Co4O12
20
62
205.64
mp-1210385
-4.135012
-0.273217
-3.851383
other
Nb8Co4S16
28
62
443.97
mp-770771
10.261468
8.587564
3.2053
other
Sr4Sc8O16
28
62
351.23
mp-1209887
-6.126999
-1.419248
4.474188
other
Nb4Fe4Si4
12
62
163.69
mp-18164
-2.463664
-3.038837
-5.332158
other
Tb12S12N4
28
62
593.5
mp-1195613
-8.23305
-4.804878
3.81948
other
Sr8Al20Pd16
44
62
881.37
mp-19727
4.739131
2.005307
-2.54594
other
Pb4C4N8
16
62
257.18
mp-22164
-7.729764
-4.990562
3.748081
other
Pr4Ni4Sn4
12
62
264.18
mp-1019532
12.434325
7.246064
0.912839
other
Ba4Al16O28
48
62
681.8
mp-1208693
-2.998946
-2.486476
-4.345082
other
Sr4U8S20
32
62
714
mp-752418
-3.573042
-4.173609
-4.223489
other
La8Se8O4
20
62
510
mp-759707
10.726007
9.206452
-0.993885
other
Sb16O20F8
44
62
753.61
mp-1189690
-5.275677
0.278879
3.139092
other
Ta4Co4B8
16
62
153.72
mp-1245899
-7.161381
-0.351635
3.289301
other
Co12Sb4N4
20
62
237.73
mp-1102975
-7.906091
-4.842854
3.570653
other
Eu4Ga4Pt4
12
62
250.29
mp-1102042
-7.597927
-3.892855
3.682338
original
Ti4Cu4Ge4
12
62
172.65
mp-1213084
1.087155
2.22465
-5.873626
other
Cs4Sr4Cl12
20
62
712.41
mp-645182
-7.489133
-5.554163
3.791921
other
Sm8Ni4Sn16
28
62
680.52
mp-1202826
-2.774339
-2.614995
-4.983854
other
Gd8U4S20
32
62
702.01
mp-3196
10.474112
8.501286
1.799861
other
Nd4Ga4O12
20
62
239.71
mp-1192857
6.254458
5.818281
-4.181957
other
Mn4N4O16
24
62
451.01
mp-22228
-7.63994
-4.279544
3.556026
other
Dy4Co4Sn4
12
62
252.49
mp-20616
-7.465875
-4.077487
4.814227
other
Ce4Ni4Ge4
12
62
223.32
mp-1101976
-6.086253
-1.337657
1.904002
other
V4Ni4As4
12
62
158.71
mp-1044841
13.01562
7.156857
-6.088227
other
Sb8P8O36
52
62
819.58
mp-776476
5.694099
11.129675
-1.809712
other
Cd4Fe4O12
20
62
224.18
mp-7124
-5.3111
-3.918058
5.027348
other
Tb4Si4Pt4
12
62
224.45
mp-5601
-7.633458
-4.257567
3.5563
other
Ho4Co4Sn4
12
62
248.02
mp-20949
-7.199667
-1.237345
3.154033
other
Mn4Si4Ni4
12
62
143.63
mp-1227504
-4.437806
-2.603125
-4.063736
other
Bi8Se8S4
20
62
564.21
mp-1101809
-6.0719
-6.520502
3.526922
other
Sr4Cd4Ge4
12
62
308.34
mp-2675451
15.116799
12.339959
-0.892763
other
V4O4F4
12
62
125.57
mp-1246310
-4.716565
-2.624003
-4.177585
other
In16Se12N8
36
62
866.99
mp-1102863
-7.856994
-2.760158
5.44766
other
Dy4Co4Ge4
12
62
208.89
mp-1188132
-3.234866
0.493878
2.751427
other
Ho4Mo4C8
16
62
207.2
mp-19320
6.190728
9.729968
-2.066647
other
K8Fe4O16
28
62
453.09
mp-616140
-4.446792
-5.582973
0.55755
other
Cs20Si4As12
36
62
1,423.45
mp-1201001
-7.564366
-6.218602
6.137316
other
Y20Ni8Te8
36
62
924.93
mp-1208318
-6.325691
-3.763938
4.006122
other
Tb4Si4Pt8
16
62
280.15
mp-1095442
-5.675052
-1.538116
2.59491
other
Hf4V4P4
12
62
177.84
mp-1192894
-1.238585
3.132695
-2.993138
other
Cs8Co4I16
28
62
1,363.72
mp-1222966
-4.420076
-3.377682
-3.487897
other
La4Sb4Se12
20
62
564.45
mp-22453
-7.844781
-4.269039
3.366509
other
Yb4Ge4Pt4
12
62
233.89
mp-18974
6.506478
11.472423
0.695323
other
Ho4Ni4O12
20
62
207.61
mp-770886
8.461652
12.587173
-0.325836
other
Li12Fe4O12
28
62
292.97
mp-1195505
-5.648618
-1.7193
4.265922
other
Sc8Si16Mo12
36
62
560.22
mp-839723
8.360463
2.128985
-1.207242
other
Fe4N8F20
32
62
473.19
mp-1102199
0.275114
2.382555
-3.482506
other
Pb4I4O4
12
62
337.64
mp-569015
-5.601446
-4.256128
0.539763
other
Mg8Cu8As8
24
62
390.56
mp-1180484
6.761936
9.783347
-2.2997
other
Mn4Ag4O16
24
62
362.69
mp-753605
-4.507595
-1.576599
-5.733946
other
Li4Cu4S4
12
62
211.29
mp-4698
11.708083
7.312794
-0.903899
other
K8Ge32O68
108
62
1,678.54
mp-558977
-2.598322
-2.751054
-5.443743
other
La12Er12S36
60
62
1,405.41
mp-645630
-7.904822
-4.080013
3.514931
other
Dy12Ge24Pt16
52
62
1,004.43
mp-1193757
-4.17862
-4.313515
-3.754108
other
Ba4Sm8Se16
28
62
853.12
mp-1210359
-6.26007
-5.338475
2.989602
other
Pr20Ni4Sb8
32
62
958.57
mp-21537
-8.393559
-6.106606
3.12875
other
Ce4In16Au8
28
62
666.97
mp-16818
-4.810207
-2.999407
-3.96082
other
Rb8Cd12Se16
36
62
1,126.46
mp-1237864
-4.075141
-0.332899
-3.980071
other
Nb8Cu4S16
28
62
458.44
mp-21651
-7.005018
-4.779181
5.260843
other
Ce20Ge8Ru4
32
62
809.26
mp-1200765
-5.365367
-2.978277
4.271229
other
Sc8Nb12Si16
36
62
609
mp-1194059
-2.595708
-2.743916
-5.659572
other
Ca4Er8S16
28
62
647.87
mp-1043943
9.391852
9.757936
-0.139013
other
Mg4Sn12O28
44
62
552.9
mp-1232069
-2.760918
-2.681492
-5.760288
other
Nd8Mg4S16
28
62
766.61
mp-5926
8.294932
0.840988
1.713611
other
K4Ca4F12
20
62
332.23
mp-10383
-5.773406
-3.819505
-1.210252
other
La4Te4As4
12
62
346.6
mp-778740
8.503467
12.001686
-0.6143
other
Na8Co12O16
36
62
453.5
mp-680182
-6.36894
-4.959936
0.09188
other
Bi72Ir16I24
112
62
3,861.04
mp-754853
10.077991
9.834705
3.832663
other
Ca4Hf4O12
20
62
252.29
mp-17986
10.930923
10.83146
1.757003
other
Ti4Tl8O12
24
62
468.01
mp-21898
7.19919
8.394298
-0.631966
other
Sr4Tb4O12
20
62
323.8