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-558178
6.483462
4.730505
-4.53429
other
K2C2Br2N4O8
18
2
309.35
mp-763832
9.595273
3.656318
-8.79838
other
Li12Mn4P4C4O28
52
2
586.43
mp-24835
8.909686
7.020953
-4.661147
other
K2Mg1Cr2H4O10
19
2
244.74
mp-672441
7.506766
5.163856
-1.836985
other
Sr2Zn2Ni2P4O16
26
2
317.82
mp-776091
9.553683
9.29678
2.220672
other
Li2La2Nd2Sb2O12
20
2
261.67
mp-1190396
10.444932
5.249163
-6.099332
other
Sm2Zn1Te2S2O14
21
2
306.26
mp-1179167
4.626464
2.962943
-3.672739
other
Te1C4Se4N8Cl2
19
2
471.7
mp-1180897
6.253117
5.252132
-4.603683
other
K2Pd1N2Cl2O4
11
2
234.26
mp-555919
8.175771
1.631836
-4.548059
other
K6H18C12S12O6
54
2
933.87
mp-2228946
14.339793
8.346195
-6.162308
other
Mg1V2P2H2O10
17
2
184.58
mp-1210726
9.566904
6.565105
-3.860301
other
Mg3Fe2H4Se6O20
35
2
433.95
mp-707343
8.818933
1.864687
-4.239842
other
Zr2H24C4N12F12
54
2
585.25
mp-1194959
10.483519
4.668539
-6.954498
other
K2Sb4P2S4O24
36
2
543.2
mp-698276
9.064767
2.889647
-5.039856
other
Cu2H22C8N4O20
56
2
541.44
mp-1193691
8.990472
5.677546
-4.722702
other
Co2H8Se2Cl2O12
26
2
327.21
mp-1516204
8.394451
7.037883
-1.17287
other
Ba2Sr2Sm2Se2O12
20
2
299.05
mp-1519531
11.220053
10.401011
1.176217
other
Ba2Pr2Eu2W2O12
20
2
315.4
mp-774813
12.546064
4.205268
-3.139825
other
Rb2Co1B12H20O30
65
2
635.09
mp-1227607
9.06399
1.664191
-4.206431
other
Co2H30N12Cl4O4
52
2
510.17
mp-707958
8.795352
2.26373
-4.705081
other
P2H18C4N8O10
42
2
426.14
mp-983519
8.302316
0.713146
-4.457681
other
Sn1H22C6N2Cl4
35
2
386.9
mp-1173434
9.03534
5.22794
-4.940925
other
Rb2Cu4H5S4O20
35
2
502.06
mp-887423
13.443367
8.378927
-7.8304
other
Li6Mn2V2P6O24
40
2
432.75
mp-1518395
10.20624
9.761866
2.792265
other
Ba2Eu2Nb2Bi2O12
20
2
312.16
mp-1518025
6.091132
8.731709
-0.679385
other
Ba2Ca2In2Bi2O12
20
2
299.91
mp-1219317
-7.513544
0.743098
5.029106
other
Sm2Mn2Al2Fe13C1
20
2
262.81
mp-729903
10.250744
2.404634
-2.960783
other
Zn2In2H28O14F10
56
2
500.86
mp-1234676
8.376145
9.997477
-3.549972
other
Mg1Cr4Hg4H4O18
31
2
460.61
mp-2226456
10.191363
8.948775
1.837044
other
Ba2Pr1Mg1Sb1O6
11
2
202.13
mp-780499
15.544683
5.930018
-2.162113
other
Li4Mn2Fe2B4O12
24
2
251.82
mp-1521863
10.253459
10.757134
1.722067
other
Ba2Sr2Ce2V2O12
20
2
293.55
mp-1577040
13.592566
6.91344
-6.603742
other
Li2Mn2P4H2O14
24
2
279.86
mp-740710
11.890192
4.708228
-5.084004
other
Na4Li2P6H16O26
54
2
599.27
mp-567609
7.825296
0.256846
-4.521743
other
Al2Sn4P2H48C16
72
2
878.44
mp-2215923
11.513325
10.334564
1.038439
other
Sr2Mg1Cd1W1O6
11
2
168.28
mp-1180891
4.361214
2.471699
-3.338211
other
K3Re1C4N4O2
14
2
356.41
mp-803039
7.659461
5.088963
-2.059275
other
Li2Mn2P2H2O10
18
2
182.56
mp-1205183
12.14845
7.609445
-6.936664
other
K2Fe4P6O16F12
40
2
518.55
mp-774641
8.577908
5.34839
-7.76197
other
Na6Mn4P4C4O28
46
2
613.28
mp-1233931
11.821767
7.130973
-3.578484
other
Ba10Mg1As6Cl2O24
43
2
806.74
mp-1222845
13.621057
6.69266
-7.184937
other
Li2Ti4Ni1P4O20
31
2
353.93
mp-697835
8.200791
12.639887
-0.769131
other
Ca10V5Fe15Bi2O48
80
2
998.09
mp-1046206
13.79348
6.761894
-5.450757
other
Sr2Zn2Sn2P4O16
26
2
361.33
mp-756223
9.009873
4.716002
-8.441716
other
Li8Fe4P4C4O28
48
2
547.8
mp-1193185
12.442822
6.275182
-6.894501
other
Ba2Fe2B2P4O18
28
2
354.67
mp-1223629
8.713919
10.302145
1.545556
other
La8Zn2Cu4Mo2O24
40
2
612.22
mp-730887
10.208489
2.559035
-3.896351
other
Cr2H24N6O6F12
50
2
427.32
mp-1202138
10.410007
4.070847
-4.21823
other
K2Mg4U3H52O48
109
2
1,012.68
mp-504939
10.37121
2.60919
-2.929946
other
V2Cu3H24O12F12
53
2
479.06
mp-1046379
12.983578
6.867513
-6.606425
other
Sr4Zn4Co4P8O32
52
2
644.7
mp-1519152
9.747727
9.742105
3.636763
other
Ba2Sr2Y2Nb2O12
20
2
302.54
mp-1220863
12.934729
6.131276
-0.841682
other
Na4Be4Si12H4O32
56
2
655.26
mp-866620
12.224101
4.959609
-5.31257
other
Cs2Mg1P4H8O16
31
2
397.07
mp-1199276
12.017463
6.786774
-4.409624
other
Cs3Sc3As6H6O24
42
2
630.42
mp-559195
9.511232
6.90868
-3.447945
other
Sm2Mn2Se4Cl2O12
22
2
363.88
mp-1266205
13.377494
6.739387
-1.006868
other
Li6V2Si8H4O24
44
2
509.78
mp-1197821
10.002442
4.152127
-4.29814
other
Al2H28Se2N2O28
62
2
555.87
mp-1205193
8.620671
1.511409
-4.48096
other
H28C8S4N4O8
52
2
545.36
mp-733624
9.005702
4.879238
-4.388317
other
K6H4S4N2O14
30
2
435.01
mp-1333085
7.54666
5.164541
-1.848962
other
Sr2Mg2Co2P4O16
26
2
321.6
mp-694249
5.798051
3.346552
-4.67843
other
Cr6Co4As4C40O40
94
2
1,647.94
mp-707490
11.678134
5.482899
-5.53123
other
K8Te1P8H10O32
59
2
918.01
mp-1203046
7.576955
2.512302
-3.234315
other
H6C12Se2O6F10
36
2
482.54
mp-1204438
8.094167
10.044434
-3.472896
other
Cr6Cu1Si2Pb10O34
53
2
829.5
mp-1520565
7.790457
8.182871
1.051214
other
Ba2Sr2Tb2Ce2O12
20
2
335.95
mp-707923
5.690299
3.242742
-4.721594
other
H2Os12C36S4O38
92
2
1,554.51
mp-1173266
8.786774
10.121107
2.030385
other
Sr4La4Mg2Ru2O16
28
2
394.34
mp-1518619
10.373217
10.907011
1.04147
other
Ba2Sr2Eu2W2O12
20
2
316.25
mp-1522319
11.216853
10.406672
1.25678
other
Ba2Sr2Dy2W2O12
20
2
299.9
mp-698721
10.45716
5.052371
-4.636218
other
Mn1V2P2H8O14
27
2
355.26
mp-1306808
9.484254
5.928739
-4.337707
other
Na2Co4H6Se4O20
36
2
407.55
mp-1196947
8.503832
1.642218
-4.569841
other
H24C10S4N4O10
52
2
615.64
mp-1196821
8.914834
1.257996
-3.998837
other
Fe2H54N18Cl4O1
79
2
857.37
mp-568816
4.37479
2.353912
-3.279442
other
K2Fe1Cu1C6N6
16
2
267.85
mp-1192109
7.22364
4.738868
-4.625141
other
K2H4Pd1N4O10
21
2
311.72
mp-24340
9.589171
3.297592
-4.582328
other
K6Ge2H6S6O4
24
2
483.78
mp-677385
8.698482
10.240444
1.829794
other
Sr6La4Mg2Ru3O20
35
2
546.07
mp-699505
9.832652
5.002234
-4.291178
other
K2V10Zn2H32O44
90
2
1,059.6
mp-1046426
14.810948
8.020603
-4.789601
other
Sr2V2Zn2P4O16
26
2
330.18
mp-734377
11.969677
4.844542
-5.099461
other
K4Cd4P12H32O52
104
2
1,244.59
mp-695982
12.119947
4.968852
-5.174893
other
Ba2Na2P6H12O24
46
2
566.77
mp-694995
9.696557
5.089475
-7.038273
other
Li2Mg2Cr6S12O48
70
2
898.62
mp-1100935
10.301915
3.386641
-4.553776
other
V2H38S4N6O27
77
2
776.43
mp-775258
15.586905
6.199732
-2.078627
other
Li8Mn2Fe6B8O24
48
2
504.1
mp-2240103
11.305559
10.528206
1.191684
other
Sr2Mg1Zn1Mo1O6
11
2
163.79
mp-1342911
7.39927
5.624502
-2.867216
other
Ba2H2Pd1S10O34
49
2
720.68
mp-2229984
12.485627
7.933025
-0.409934
other
Tb2Mg1Cu1Ge4O12
20
2
286.39
mp-1192298
11.225942
8.230012
-3.803045
other
Mn2Mo2H4Se2O14
24
2
300.53
mp-774663
8.502526
5.746498
-6.918405
other
Na8Ni4P4C4O28
48
2
604.97
mp-728780
14.445669
8.280461
-6.498584
other
Ba2V3P6H1O22
34
2
453.26
mp-722906
12.238122
4.115281
-3.262016
other
Na6Cu2B16H34O46
104
2
963.01
mp-768834
13.131312
8.393702
-8.048855
other
Li6Mn2V2P6O24
40
2
494.39
mp-802351
8.17958
5.313177
-2.303569
other
Li3Cr2P4H1O14
24
2
294.87
mp-769506
9.229413
4.742885
-8.305206
other
Na8Fe4P4C4O28
48
2
612.03
mp-1412519
7.603913
5.150105
-2.382578
other
Na2Cu3H8C8O16
37
2
471.54
mp-23718
12.574556
5.148844
-5.305882
other
Ca4Mn2P4H8O20
38
2
398.83
mp-807977
7.538123
5.576766
-2.089063
other
Li3V6Fe4Cu2O24
39
2
486.97
mp-1520324
6.218014
8.548551
-0.038161
other
Ba2Tb2Eu2Bi2O12
20
2
330.34
mp-758573
9.151972
3.170969
-4.461792
other
H16Ru3C6Cl6O14
45
2
658.94
mp-1518460
9.879995
9.620955
3.580969
other
Ba2Nd2Eu2Nb2O12
20
2
318.07