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-1211501
9.568595
1.697677
-3.457708
other
K1H8W1N2F6
18
225
203.19
mp-20988
4.185168
2.167608
-3.185775
other
Cs2Li1Cr1C6N6
16
225
321.53
mp-976447
10.027081
1.837484
-3.704264
other
Na1Cr1H8N2F6
18
225
161.03
mp-20484
4.290924
2.369636
-3.301517
other
Li2Fe1Cu1C6N6
16
225
268.23
mp-1209962
10.061645
1.810938
-3.7113
other
Na1V1H8N2F6
18
225
158
mp-865095
9.969376
1.891691
-3.803783
original
Na1Ga1H8N2F6
18
225
157.43
mp-21013
4.238371
2.277547
-3.207692
other
Cs2Li1Fe1C6N6
16
225
301.4
mp-6854
4.170526
2.237722
-3.160102
other
Cs2Li1Mn1C6N6
16
225
308.97
mp-1202049
9.383654
2.978317
-4.374277
other
Mo6H24C8N2O20
60
225
771.49
mp-1189338
4.488456
2.35865
-3.013558
other
Cs2Li1Fe1C6N6
16
225
314.9
mp-20140
4.35853
2.339418
-3.249026
other
Rb2Fe1Cu1C6N6
16
225
274.27
mp-643394
9.976842
1.905106
-3.692479
other
Na1In1H8N2F6
18
225
168.48
mp-571284
4.359307
2.313497
-3.206342
other
Cs2Fe1Ni1C6N6
16
225
270.38
mp-556938
10.330265
6.922347
1.609172
other
Pr30Ti24Se58I8O25
145
225
3,282.78
mp-23657
10.796078
4.116274
-7.296709
other
Na6S2Cl1O8F1
18
225
249.22
mp-1209571
4.514904
2.319037
-3.178714
other
Rb2Mn1Fe1C6N6
16
225
253.18
mp-1105542
10.038007
1.886789
-3.745217
other
Na1Fe1H8N2F6
18
225
159.17
mp-7331
4.348739
2.286958
-3.184947
other
Cs2Mg1Fe1C6N6
16
225
287.34
mp-1188970
4.278795
2.306774
-3.20518
other
Cs2Cd1Fe1C6N6
16
225
314.1
mp-1211490
9.575418
1.706634
-3.582695
other
K1Mo1H8N2F6
18
225
203.04
mp-640345
4.504363
2.307898
-3.164003
other
Cs2Mn1Fe1C6N6
16
225
255.36
mp-1189460
9.972191
1.788918
-3.756102
other
Na1Al1H8N2F6
18
225
154.43
mp-6884
4.250269
2.292733
-3.241915
other
Cs2Li1Co1C6N6
16
225
298.44
mp-22776
4.411015
2.347195
-3.268027
other
K2Fe1Co1C6N6
16
225
255.9
mp-1200887
-0.420449
2.348818
-2.20169
other
Li4Eu8C4I12N8
36
227
890.87
mp-566231
8.723894
3.759016
-7.395802
other
Na12Mg4C8Cl4O24
52
227
732.35
mp-646116
8.688421
3.689448
-7.384261
other
Na12Mg4C8Br4O24
52
227
748.26
mp-568863
2.401119
2.096672
-3.45262
other
Li4Eu8C4Br12N8
36
227
780.96
mp-569782
3.153096
2.101701
-3.488689
other
Sr8Li4C4Br12N8
36
227
804.27
mp-540866
8.909466
3.808853
-7.455945
other
Na12Mg4C8S2O32
58
227
719.87
mp-2223896
-4.714649
-1.138908
-5.743045
other
Mg1Co1Cu2Sn1S4
9
23
177.06
mp-2227975
-4.379142
-1.199832
-5.663935
other
Mg1Fe1Ag2Sn1S4
9
23
209.95
mp-1228709
9.086231
9.166455
2.589489
other
Ba6Sc6In2Cu6O24
44
23
624.75
mp-2222841
-4.365843
-1.379595
-5.934538
other
Mg1Cu2Sn1Hg1S4
9
23
203.79
mp-2222882
-4.581559
-1.342458
-5.917597
other
Mg1Zn1Cu2Sn1S4
9
23
186.92
mp-1223608
-4.844319
-1.096163
-5.787651
other
Mn2Fe3Cu10Sn5S20
40
23
834.25
mp-2226450
-4.706724
-1.264835
-5.788741
other
Mg1Mn1Cu2Sn1S4
9
23
186.54
mp-1228549
11.293695
9.968137
-1.259373
other
Cs2Na8U8Mo5O44
67
23
1,048.85
mp-2222817
-4.757616
-1.122203
-5.761131
other
Mg1Fe1Cu2Sn1S4
9
23
178.64
mp-1216244
-5.29964
-2.595147
-4.092579
other
Zn2Fe3Cu10Sn5Se20
40
23
948.97
mp-24013
8.722092
1.09978
-4.175292
other
Cr8Cu8H144N48Cl40
248
228
2,848.15
mp-24430
8.697358
1.18091
-4.153992
other
Cd8Co8H144N48Cl40
248
228
2,923.45
mp-24429
8.720297
1.093282
-4.177432
other
Cr8Cu8H144Br40N48
248
228
3,212.11
mp-23857
8.727606
1.175872
-4.160677
other
Co8Cu8H144N48Cl40
248
228
2,774.25
mp-24198
8.676543
1.086377
-4.164185
other
Cr8Hg8H144N48Cl40
248
228
3,065.05
mp-1178803
3.744159
2.632097
-4.081897
other
Zn4Cu2C4N2Cl12
24
24
610.58
mp-1173713
10.289085
11.40309
3.219689
other
Na6Pr2Ti4Nb4O24
40
26
487.03
mp-555901
8.426426
3.767745
-6.89602
other
K2Cu2C2O6F2
14
26
189.27
mp-1173782
10.244564
11.451546
3.17733
other
Na6Gd2Ti4Nb4O24
40
26
479.6
mp-1222496
10.079319
9.922422
0.152888
other
Mg4Te2Pb8W2O24
40
26
531.72
mp-1333286
10.447854
8.597288
-7.184063
other
Ca2V4Ni4P8O36
54
26
676.51
mp-1227594
9.002237
8.949362
2.684179
other
Ba2Sr2Y8Cu4O20
36
26
501.09
mp-578628
8.086767
9.868374
1.544941
other
Sr4Y2Cu6Pb4O16
32
26
442.94
mp-767927
11.625565
13.5061
-0.837117
other
Li8Ti2V8Cr8O36
62
26
665.74
mp-1226662
10.397715
11.613921
3.114834
other
Cs2Na2Eu2Nb10O30
46
26
659.62
mp-1194007
-4.657109
-1.365278
-5.718622
other
Fe2Cu8Bi2Pb2S12
26
26
510.13
mp-768109
9.950272
13.653782
-0.959755
other
Li8Ti6V4Fe8O36
62
26
691.89
mp-755641
8.385274
3.780689
-6.762994
other
Li2Cu2C2O6F2
14
26
156.62
mp-759138
14.85525
7.700408
-6.134829
other
Li4Mn2Fe2P4O16
28
26
307.48
mp-676988
10.227615
11.49472
3.179232
other
Na6Ho2Ti4Nb4O24
40
26
475.13
mp-1173718
10.260947
11.419291
3.21384
other
Na6Nd2Ti4Nb4O24
40
26
485.64
mp-1222715
13.553136
6.563435
-6.392252
other
Li4Ti4As2P2O20
32
26
370.35
mp-774626
8.634643
14.3268
-0.584676
other
Li8Ti6Mn8Fe4O36
62
26
684.68
mp-689927
10.260867
11.454975
3.184115
other
Na6Dy2Ti4Nb4O24
40
26
477.04
mp-1173802
9.859278
11.415656
2.900015
other
Na6Eu2Ti4Nb4O24
40
26
485.46
mp-774678
12.103982
13.315578
-0.555539
other
Li8Ti6V8Cr4O36
62
26
685.96
mp-554164
13.063962
5.724918
-6.534216
other
K4Li4Zn4P8O28
48
26
678.69
mp-1173701
10.236803
11.51248
3.198571
other
Na6Tm2Ti4Nb4O24
40
26
468.31
mp-768043
8.012172
14.241546
-1.088283
other
Li8Ti2Mn8Fe8O36
62
26
644.99
mp-1227036
8.515409
1.042205
1.091411
other
Cs4Na4Sn2Ge2F24
36
26
651.78
mp-1173706
10.259436
11.465266
3.18476
other
Na6Tb2Ti4Nb4O24
40
26
478.4
mp-768100
9.297271
14.137342
-0.556696
other
Li8Ti6Mn8Cr4O36
62
26
675.66
mp-774525
8.426976
14.248078
-0.924043
other
Li8Ti6Mn8Co4O36
62
26
649.7
mp-1177270
8.485398
13.982306
-0.765351
other
Li8Ti6Mn4Fe8O36
62
26
675.05
mp-1298647
7.795349
10.403908
1.415981
other
Ba4Y2Tl2Co4O14
26
26
396.52
mp-1173711
10.245424
11.494547
3.218803
other
Na6Er2Ti4Nb4O24
40
26
471.33
mp-1177277
10.663219
13.497589
-1.445188
other
Li8Ti2V8Fe8O36
62
26
679.38
mp-774870
6.436216
13.569083
-1.843235
other
Li8Ti2Fe8Co8O36
62
26
639.23
mp-1214692
11.848073
6.726024
0.248859
other
Ba12Na2Nd2Si8O32
56
26
876.57
mp-1173732
10.252755
11.440224
3.21493
other
Na6Sm2Ti4Nb4O24
40
26
481.63
mp-1203604
9.219463
7.890357
-6.076215
other
V2Co4P4N2O24
36
26
467.6
mp-1173615
10.839024
12.033752
2.340963
other
Na2Mg2Ti6O14F2
26
26
361.13
mp-774581
11.376878
13.521666
-0.59273
other
Li8Ti6V4Cr8O36
62
26
672.95
mp-1192353
7.919258
10.381425
1.369191
other
Sr4Fe2Cu2Pb4O12
24
26
386.43
mp-2232614
10.057523
10.833683
1.226829
other
Ba2Y1Mg1Fe3O8
15
25
231.28
mp-2215860
8.05361
9.530621
1.559765
other
Ba2Tm1Mg1Cu3O7
14
25
213.65
mp-1236492
10.593401
10.605321
1.198881
other
Ba2Li1Y2Fe4O10
19
25
268.82
mp-2218101
10.875355
9.663077
0.448475
other
Mg1Ti1Zn1Bi2O6
11
25
184.47
mp-2227598
10.913432
10.040968
1.500587
other
Ba1Nd1Mg1Mn2O5
10
25
177.99
mp-2242050
8.012328
9.542922
1.532596
other
Ba2Y1Mg1Cu3O7
14
25
214.56
mp-1227458
7.225591
9.894807
1.208531
other
Ba1Sr1Pr1Cu3O7
13
25
177.14
mp-2228583
8.127324
9.479299
1.653006
other
Ba2Nd1Mg1Cu3O7
14
25
210.53
mp-2217572
7.677311
11.045785
1.218856
other
Ba1Ho1Mg1Co2O6
11
25
161.98
mp-2229366
11.747584
10.333758
2.614778
other
Cs1Sr2Mg1Nb3O10
17
25
262.55
mp-1048241
11.560596
8.40934
-2.255667
other
Al2Sb6Se4Cl2O16
30
25
522.57
mp-1222940
10.559629
11.431749
3.222587
other
La1Nb2Cu1Cl1O7
12
25
184.42
mp-1216246
-9.452201
-0.465472
4.451858
other
Y1Lu1Th2B16Rh16
36
25
432.15
mp-2223136
7.95803
9.484663
1.217039
other
Sr2Mg1Tl1Cu1O5
10
25
154.89
mp-1076812
12.056087
10.938487
-0.974894
other
K2Na2Nb1W3O12
20
25
257.32
mp-2217628
11.166437
9.658092
0.640415
other
Mg1Ti1Zn1Bi2O6
11
25
177.32