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-758733
11.463419
5.596676
-3.549479
other
Li2Mn6Al4H12O24
48
2
435.84
mp-694938
10.06536
10.889473
2.258337
other
Ba2La8Ti2Cr8O30
50
2
618.93
mp-2229573
14.15194
7.552192
-5.272946
other
Mg1Sb2P2H2O10
17
2
217.77
mp-2228485
12.127874
7.66529
-3.698305
other
Mg1Zn2Cu1As2O8
14
2
209.1
mp-1199400
11.227302
4.313583
-4.605829
other
Zn2Co2P4H24O22
54
2
556.73
mp-561386
5.133422
3.015877
-3.793812
other
K2Hg3C8N8O8
29
2
489
mp-1414227
8.596284
4.309942
-5.354807
other
Na2Cu1H4C4O10
21
2
241.26
mp-1183004
11.19613
4.32242
-4.532593
other
Al2Fe1P2H18O18
41
2
402.79
mp-777764
12.142378
4.973489
-5.224119
other
Li2Fe2P6H16O26
52
2
513.74
mp-1044661
12.789841
11.13214
0.339347
other
Y4V13Si2Sb2O28
49
2
638.23
mp-1190527
10.403517
5.218685
-6.183634
other
Dy2Zn1Te2S2O14
21
2
294.79
mp-1224806
11.468045
11.222253
-3.783597
other
K10Al2Cr8Mo20O80
120
2
2,069.97
mp-1218248
14.313836
5.154901
-7.538987
other
Sr1Ca1Zr8P12O48
70
2
1,067.98
mp-1233592
14.193241
7.605886
-5.570145
other
Mg1Cr2Sb2P4O16
25
2
352.42
mp-1218626
10.237839
11.364272
0.508489
other
Sr4Fe2Mo1W1O12
20
2
259.67
mp-938380
7.291106
6.059594
-1.787699
other
Sr4La4Mn7Cu1O24
40
2
474.92
mp-1235680
10.975037
11.674338
-1.904563
other
Li1Zn2Ag1W1O6
11
2
147.11
mp-743819
9.889794
11.189425
3.002652
other
Ca20Ti16Nb2Fe2O60
100
2
1,161.87
mp-733994
7.396484
4.998451
-1.823234
other
Ca2P2H8O10F2
24
2
259.35
mp-1182745
8.044495
2.618467
-1.926856
other
C4S4N4O4F20
36
2
812.8
mp-1046445
14.37329
7.231278
-5.760553
other
Sr2Mg2Fe2P4O16
26
2
322.55
mp-1518512
7.586147
9.098829
1.016688
other
Ba2Eu2Ti2Bi2O12
20
2
294.96
mp-768862
9.401714
3.862176
-8.628736
other
Li10Fe4P4C4O28
50
2
553.54
mp-1521105
9.520752
9.135623
3.706243
other
Ba2Sr2Ce2Zr2O12
20
2
317.32
mp-1180896
4.362737
2.446214
-3.327771
other
K3Re1C4N4O2
14
2
366.28
mp-1190117
8.374804
6.702876
-5.329512
other
Yb2Cu1Te2S2O14
21
2
310.17
mp-1210937
8.658962
3.858694
-7.137677
other
Mg2Cr2H6C4O12
26
2
365.79
mp-24712
10.716116
3.061249
-4.430706
other
P4H20N4O12F4
44
2
382.13
mp-1193000
6.452602
4.971477
-4.532804
other
Ni1C4S4N2O12
23
2
511.53
mp-770837
9.57129
3.80253
-8.513217
other
Na10Fe4P4C4O28
50
2
627.82
mp-1236180
13.464183
8.676356
-1.201648
other
Li1V2Zn2Si2O10
17
2
185.39
mp-1653181
10.637911
6.856236
-5.842473
other
Na12Co4B4As4O28
52
2
658.83
mp-1520390
9.349778
9.097437
2.30477
other
Ba2La2Eu2Sb2O12
20
2
320
mp-1522133
9.199212
9.115622
2.361467
other
Ba2Sr2Nd2Sb2O12
20
2
315.17
mp-758328
11.46694
5.621705
-3.533325
other
Li2Mn6Al4H12O24
48
2
433.86
mp-1199406
10.177051
4.99745
-4.347253
other
V10Ni2H40N2O44
98
2
945.08
mp-1203249
8.661499
1.103561
-3.994105
other
Zn3Sb2H42S8N14
69
2
918.59
mp-1522308
9.47899
9.666853
3.44106
other
Ba2Sr2Ce2Ti2O12
20
2
290.2
mp-774597
8.918185
4.931244
-7.765089
other
Na10Ni4P4C4O28
50
2
610.99
mp-1228872
10.147398
5.726236
-4.291863
other
K4Cr2Mo12H38O64
120
2
1,462.14
mp-697523
11.927849
4.827251
-5.144087
other
Cs2Cu2P6H16O26
52
2
612.65
mp-1204254
7.891308
0.254635
-4.472181
other
Li4Si12H108C36N8
168
2
1,872.68
mp-1193866
9.814435
4.756357
-5.136618
other
Yb2P2H10C2O14
30
2
337.29
mp-684467
12.566197
6.388089
-0.642392
other
Rb8Eu4Ga4Si16O48
80
2
1,295.31
mp-555418
8.585143
3.520827
-6.195359
other
Rb6Nb2H8C12O30
58
2
848.84
mp-1213529
9.959831
2.806974
-2.701102
other
Ni3Sn1H12O6F6
28
2
717.72
mp-725430
13.600077
6.649321
-7.229917
other
Li2Ti4Ni1P4O20
31
2
351.47
mp-775325
14.240107
8.456573
-7.444237
other
Li12Mn2V6P12O48
80
2
944.69
mp-1105275
4.282917
2.359665
-3.345371
other
K3Re1C4N4O2
14
2
364.71
mp-769523
8.565854
5.313671
-7.764158
other
Na6Mn4P4C4O28
46
2
621.19
mp-1210391
12.265215
6.550214
-6.241724
other
Ni1Ag4P6H6O18
35
2
468.76
mp-1522883
9.679729
9.655727
3.568776
other
Ba2Sr2Gd2Nb2O12
20
2
306.74
mp-1220970
12.50776
6.727178
-6.805228
other
Na2Ni2P4H2O14
24
2
261.18
mp-1521602
9.574592
9.098128
2.207351
other
Sr2Pr2Eu2Sb2O12
20
2
304.24
mp-863025
12.19268
4.918885
-5.323057
other
Rb2Mg1P4H8O16
31
2
378.15
mp-698218
9.48824
2.829304
-4.624652
other
La2H26C6S6O22
62
2
682.91
mp-1198611
11.029581
4.32992
-4.473613
other
U2Ni1P2H24O24
53
2
547.63
mp-1226277
11.583511
11.100897
-3.845221
other
Cs2Zr2Mn1Mo6O24
35
2
682.77
mp-1176648
9.570559
3.817105
-8.512177
other
Na10Fe4P4C4O28
50
2
627.21
mp-695964
10.880799
4.863366
-5.80422
other
Na4Fe8H12S8O32
64
2
768.36
mp-1204740
8.175514
2.350318
-1.149126
other
Te2As2Xe2O4F22
32
2
567.84
mp-1213507
10.548236
10.891644
-3.18603
other
Na2P2H24W24O80
132
2
2,416.03
mp-744816
10.136518
5.217393
-4.286673
other
Rb2Mg2V10H32O44
90
2
1,149.7
mp-2215968
11.555775
10.58974
0.801569
other
Sr2Mg1Co1W1O6
11
2
165.73
mp-705486
9.782073
3.871982
-5.315936
other
U3Cu2H10C2O20
37
2
429.48
mp-1191373
7.333969
7.766508
-3.862212
other
Mg1Mn2As2Pb2O18
25
2
338.06
mp-1194921
10.305007
5.868155
-4.667677
other
K10V18H40Pt2O74
144
2
1,729.96
mp-781683
13.986069
7.299702
-6.127867
other
Li4Fe4P8H4O28
48
2
527.47
mp-1203349
10.431534
6.038084
-4.826526
other
K4Li2V10H20O38
74
2
829.29
mp-2230043
11.069156
7.438392
-1.217997
other
Yb2Mg1Cu1Ge4O12
20
2
277.82
mp-1370338
7.631007
5.153637
-1.802327
other
Sr2Mg2Mn2P4O16
26
2
331.34
mp-697984
10.335076
4.218781
-5.802745
other
K4Mn2H8S4O20
38
2
469.21
mp-1199640
10.569747
4.520619
-4.455416
other
Fe4As2H38S2O36
82
2
782.67
mp-849441
14.156534
7.791407
-6.545421
other
Li2V2P6H2O20
32
2
403.76
mp-1203130
8.130155
3.555085
-6.059669
other
Cs4Sb4C8O18F8
42
2
775.66
mp-1197521
8.074011
2.273259
-4.707087
other
H12Pb2C20N16O14
64
2
770.73
mp-769300
9.192148
4.080171
-8.710448
other
Li10Mn4P4C4O28
50
2
556.43
mp-1520675
11.227863
10.396486
1.193357
other
Ba2Sr2Sm2W2O12
20
2
309.48
mp-975505
12.121707
5.065954
-5.316764
other
Rb4Co2P8H16O32
62
2
724.63
mp-706617
12.929941
6.236394
-0.705966
other
Na4Al2Si6H2O18
32
2
414.17
mp-782660
11.978196
4.836087
-5.18909
other
Li2Mn2P6H16O26
52
2
547.2
mp-2218753
11.712046
10.206396
1.814065
other
Rb2Na2Mg1Ti2O6
13
2
219.7
mp-561037
7.553814
9.659966
-4.207857
other
K8U1Cr4N2O24
39
2
669.55
mp-768471
8.997276
4.745315
-8.450173
other
Li8Fe4P4C4O28
48
2
540.99
mp-571435
8.13927
0.755873
-4.613583
other
Hg4H20C6N2Cl10
42
2
691.07
mp-1218935
9.551815
11.534781
1.010515
other
Sr10Mg5Mo1W4O30
50
2
645.3
mp-1517876
7.479091
8.431825
0.838675
other
Ba2Sr2Tb2Zr2O12
20
2
317.94
mp-572375
8.048086
9.669693
-3.807031
other
Cs2Cr4Cd1H4O16
27
2
449.65
mp-1194818
8.86448
2.207888
-2.387968
other
As4H16C4N4F32
60
2
682.64
mp-1101707
8.915844
4.915823
-7.768931
other
Na10Ni4P4C4O28
50
2
617.29
mp-1173631
12.982352
6.596369
-0.685006
other
Na4Mg12Si16O44F4
80
2
943.73
mp-1200968
8.369226
1.237669
-4.446053
other
H38C12N6Cl2O4
62
2
618.56
mp-759189
11.463956
4.256118
-4.627169
other
Mn2Al4P4H36O36
82
2
683.05
mp-1198666
11.802264
7.202637
-7.198018
other
Rb7Eu1Fe6P8O34
56
2
856.69
mp-1517108
11.304592
10.340011
1.154069
other
Ba2Sm2Eu2W2O12
20
2
305.8
mp-760046
8.780069
1.284738
-4.015831
other
Li2P2H42S6N14
66
2
688.45
mp-672266
8.220112
2.735609
-1.87274
other
C4S4N4O4F20
36
2
502.85
mp-25420
14.805262
7.931039
-4.417764
other
Li2Ti2P2O8F2
16
2
186.46
mp-1522656
7.562943
8.828242
0.523578
other
Ba2Sr2Tb2Ti2O12
20
2
299.05
mp-768544
10.522988
8.816349
-7.316798
other
Li2Mn2V2P6O24
36
2
456.27