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-677489
9.002333
0.884906
0.879183
other
Cs2Ti2Cu2O2F10
18
74
286.33
mp-510638
10.066409
2.382765
-2.389059
other
Mn2Ga2H8O4F10
26
74
279.43
mp-1195488
11.961695
7.475424
-7.401741
other
Sr2Fe2Ni4P6O24
38
74
442.5
mp-1223516
9.378175
1.506144
0.143248
other
K2V2Ni2O2F12
20
74
305.65
mp-42255
10.522006
11.829974
3.253458
other
Na2Ca2Nb4O12F2
22
74
296.22
mp-39511
10.820267
11.574166
3.1847
other
Li2Ca2Ta4O12F2
22
74
286.3
mp-676448
8.815101
1.122751
1.251658
other
Cs2Ti2Zn2O2F10
18
74
292.73
mp-24142
10.154193
2.133175
-2.077914
other
Mg2Al2H8O4F10
26
74
248.36
mp-1194870
12.859775
5.922686
-6.860485
other
Na16Ni4P8O28F8
64
74
852.38
mp-39387
10.680097
11.580756
3.34943
other
Sr2Li2Ta4O12F2
22
74
294.22
mp-1220084
10.060395
10.316673
1.74477
other
Nd2Ti2Cd2Sb2O14
22
74
282.67
mp-682067
10.493558
11.705066
3.302328
other
K2Ca2Nb4O12F2
22
74
308.46
mp-555155
12.967458
6.239766
-0.564196
other
K2Na4Y2Si12O30
50
74
703.9
mp-695048
10.432499
11.409354
2.79276
other
Gd2Ti4Cd2O12F2
22
74
269.36
mp-697263
9.134076
2.096037
-1.707698
other
Li2As2H4O2F12
22
74
256.54
mp-23768
10.133299
2.224023
-2.283184
other
Al2Zn2H8O4F10
26
74
250.97
mp-644506
9.322245
3.427424
-6.229324
other
Na2Al2H4C2O10
20
74
192.83
mp-1224479
10.050155
9.280364
2.675503
other
Gd2Y2Sc2Sb2O14
22
74
287.77
mp-41473
9.078152
0.843578
0.809084
other
Cs4Ti4Ni4O4F20
36
74
570.89
mp-686765
10.461451
11.438137
2.830819
other
Y2Ti4Cd2O12F2
22
74
267.52
mp-505254
10.28205
2.613522
-2.242419
other
Mn2V2H8O4F10
26
74
287.28
mp-677010
7.864489
9.389326
-0.800097
other
Yb2Ti4Cd2O12F2
22
74
266.14
mp-1223657
9.205688
1.247759
-0.234145
other
K2Cr2Ni2O2F12
20
74
297.52
mp-1224537
10.039023
10.314642
1.608519
other
Gd2Ti2Cd2Sb2O14
22
74
278.08
mp-1215650
7.716585
9.439842
-1.020632
other
Yb2Ti2Cd2Sb2O14
22
74
276.37
mp-1193110
10.011801
2.286729
-2.168639
other
Al2Zn2H8O4F10
26
74
274.99
mp-40502
9.172959
0.791032
1.018338
other
Cs4Ti4Co4O4F20
36
74
585.27
mp-1224269
-6.710921
1.366478
-4.56188
other
K6Mo6C5Se8N5
30
79
658.14
mp-1200235
10.309193
4.044408
-5.720112
other
Ce4H12C4S4O28
52
78
597.59
mp-1202500
10.216332
3.985155
-5.641079
other
Nd4H12C4S4O28
52
78
588.95
mp-1202833
10.258373
3.942485
-5.689336
other
Pr4H12C4S4O28
52
78
596.05
mp-1203848
10.280245
4.03552
-5.696001
other
La4H12C4S4O28
52
78
606.05
mp-709066
10.236694
4.21659
-6.602022
other
Rb16Li4H12S16O64
112
78
1,801.23
mp-727994
12.872212
7.282533
-6.33715
other
Sn16P12C4N12O48
92
78
1,774.94
mp-698470
8.207458
0.69935
-4.311578
other
Li4Al4H64C16N16
104
80
978.49
mp-1218483
9.740517
11.350572
0.586903
other
Sr4Zn1Cu1W2O12
20
83
261.4
mp-1218348
9.173619
11.40327
0.462118
other
Sr4Cu2Mo1W1O12
20
83
258.39
mp-1227259
12.658429
6.447863
-0.528696
other
Ca8Zn3Co1Si8O28
48
81
632.82
mp-1200812
8.442608
4.913398
-5.878935
other
Na10Cu2S8N4O24
48
81
714.86
mp-1238771
11.496877
11.137387
-3.734033
other
Li2Ce1Sm1Mo4O16
24
81
321.88
mp-1227193
12.838012
6.560084
-0.709985
other
Ca8Zn1Co3Si8O28
48
81
634.13
mp-1222777
11.523827
11.144774
-3.7116
other
Li2Ce1Pr1Mo4O16
24
81
326.82
mp-1234467
9.14141
7.38435
-2.000556
other
Mg1Tl2Pb16Br18O8
45
81
1,373.14
mp-1223060
10.178199
11.856071
-2.278497
other
Li2Ce1Sm1Mo4O16
24
81
264.73
mp-2230362
12.077697
10.324856
-1.939418
other
Mg1Mn2Te2Mo2O12
19
81
286
mp-1236794
12.688785
7.527065
0.051273
other
Li1Er4Be4Si2O14
25
81
261.04
mp-696155
11.789594
4.896928
-5.19853
other
Na8P4H8C2O18
40
81
474.29
mp-1227034
12.741976
6.484295
-0.613245
other
Ca16Zn4Co4Si16O56
96
81
1,266.65
mp-1211933
8.567313
8.031927
-4.406068
other
Mo8P9Br1N12O56
86
81
1,495.33
mp-2231309
11.799824
10.066349
-2.18001
other
Mg1Cd2Te2Mo2O12
19
81
296.68
mp-41057
7.630822
10.787772
1.305901
other
Ba1La1Cu1Ru1O6
10
82
130.82
mp-568228
4.902923
2.079774
-2.730105
other
Rb1La1Si1C4N8
15
82
258.25
mp-1221149
11.558086
11.112047
-3.555979
other
Na8Th1U1Mo8O32
50
82
804.18
mp-1192390
12.185038
6.469398
0.130449
other
Na5Gd4Si4O16F1
30
82
381.71
mp-1179556
11.503782
10.58267
-2.693727
other
Si1W12C16N4O40
73
82
1,198.4
mp-1519390
6.320251
10.231177
0.067786
other
Ca1La1Fe1Bi1O6
10
82
141.94
mp-1216035
-4.79026
-1.101135
-5.826448
other
Zn1Fe2Cu6Sn3S12
24
82
480.96
mp-1192521
12.15961
6.52444
0.246496
other
Na5Nd4Si4O16F1
30
82
387.9
mp-1222130
-4.78158
-1.041012
-5.721399
other
Mn1Co4Cu10Sn5S20
40
82
791.62
mp-1227876
9.457836
9.584553
1.602277
other
Ba1La1Co1Sb1O6
10
82
135.71
mp-541863
4.65938
2.671572
-3.630108
other
Zn1Hg1C4S4N4
14
82
302.14
mp-39626
11.668492
10.650093
0.846528
other
Sr1La1Mn1W1O6
10
82
135.99
mp-1192195
6.001305
3.491489
-3.619727
other
Cd1Ge4C8S10N2
25
82
527.27
mp-1192370
12.158347
6.569721
0.262681
other
Na5Pr4Si4O16F1
30
82
406.11
mp-759015
14.806479
7.852232
-5.724329
other
Li5Fe4P4O16F1
30
82
330.55
mp-1192433
11.537331
7.447058
0.170775
other
Na5Pr4Ge4O16F1
30
82
432.13
mp-1192338
12.202785
6.534353
0.229151
other
Na5Sm4Si4O16F1
30
82
389.06
mp-1103149
8.144966
1.261221
-4.079371
other
Ag1Mo1H4S4N1
11
82
200.27
mp-1228572
-5.322587
-2.526279
-4.023166
other
Cd1Fe4Cu10Sn5Se20
40
82
956.94
mp-759154
14.271606
7.542863
-6.956251
other
Li5Mn4P4O16F1
30
82
328.79
mp-556367
4.660726
2.713749
-3.650266
other
Cd1Hg1C4S4N4
14
82
311.09
mp-540934
4.611334
2.623266
-3.649372
other
Co1Hg1C4S4N4
14
82
297.59
mp-1197711
11.132775
10.74977
-2.961299
other
Si1W12C16N4O40
73
82
1,284.58
mp-1192490
12.063864
6.605097
0.282531
other
K5Pr4Si4O16F1
30
82
424.19
mp-556228
13.418993
5.093914
-6.487033
other
Na5Ca4P4O16F1
30
82
377.77
mp-541931
4.662405
2.707155
-3.667608
other
Zn1Cd1C4S4N4
14
82
297.81
mp-12422
4.555245
2.652957
-3.537434
other
Co1Hg1C4Se4N4
14
82
340.49
mp-1183010
4.546102
2.76004
-3.628247
other
Ag1C8S4N4Cl1
18
82
476.37
mp-543031
4.5886
2.597748
-3.464502
other
Mn1Hg1C4Se4N4
14
82
328.48
mp-542942
4.589965
2.702811
-3.533307
other
Zn1Cd1C4Se4N4
14
82
325.37
mp-1183000
4.547065
2.790087
-3.602246
other
Ag1C8S4N4Cl1
18
82
515.12
mp-1189777
4.536042
2.733952
-3.629369
other
Cu1C8S4N4Cl1
18
82
496.2
mp-1179459
5.961554
3.390974
-3.334675
other
Sn5C8Se10N2O1
26
82
687.53
mp-708955
9.399361
1.825269
-4.425215
other
P4H32C8N4O16
64
82
606.15
mp-1224000
-6.073543
-3.275391
-2.260287
other
In1Ga1Cu1Ag1Te4
8
82
251.81
mp-1192492
12.230984
6.407461
0.116199
other
Na5Tb4Si4O16F1
30
82
375.84
mp-1192543
12.221971
6.450059
0.1019
other
Na5Dy4Si4O16F1
30
82
370.98
mp-1521608
11.772693
9.218428
0.409375
other
Ca1Mg1Bi1Sb1O6
10
82
120.83
mp-1223732
-5.03578
-2.733966
-4.167496
other
In1Ga1Cu1Ag1Se4
8
82
204.83
mp-39249
7.588269
10.611188
1.494932
other
Ba1La1Mg1Ru1O6
10
82
130.76
mp-677191
7.590738
10.711877
1.441879
other
Ba1La1Zn1Ru1O6
10
82
131.77
mp-866662
11.995608
6.653316
0.360602
other
K5La4Si4O16F1
30
82
442.04
mp-557696
12.262689
6.413213
0.137419
other
Na5Y4Si4O16F1
30
82
373.09
mp-1192584
12.188277
6.559827
0.195789
other
Na5Er4Si4O16F1
30
82
364.44
mp-1192572
12.308224
6.438752
0.083092
other
Na5Tm4Si4O16F1
30
82
360.32
mp-1520778
5.948466
8.460282
-0.045801
other
Ba1Sr1La1Bi1O6
10
82
169.24
mp-541913
4.70488
2.63655
-3.601676
other
Fe1Hg1C4S4N4
14
82
305.74
mp-1227869
10.000613
9.636869
1.586981
other
Ba2La2Mn2Sb2O12
20
82
281.82
mp-1192544
11.580576
7.413906
0.221289
other
Na5Nd4Ge4O16F1
30
82
426.02
mp-643431
8.232278
1.458781
-4.125741
other
Ag1H4W1S4N1
11
82
196.72