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-555146
7.78532
3.545451
-4.011778
other
K8C8S16N8O32F16
88
33
1,383.4
mp-773906
12.830379
5.699471
-1.598617
other
K4Na4Zr4Si12H16O44
84
33
1,029.82
mp-683793
5.847708
3.382353
-4.664017
other
Fe16Te8Mo4C56S8O56
148
33
2,669.19
mp-1204275
8.073472
1.740362
-4.421095
other
H64Pd4C16S16N32Cl8
140
33
1,723.21
mp-1197899
8.461075
1.158415
-4.463468
other
Mn4H112C48Br8N32O8
212
33
2,033.51
mp-759637
14.565773
7.53536
-5.593524
other
Na8Sr4Li4V4P8O36
64
33
804.13
mp-601200
7.510611
1.216728
-4.323342
other
P4H60C72I4N4Cl8
152
33
1,969.88
mp-1204973
7.833374
1.358868
-4.423966
other
Cd6H12C4I12N4O4
42
34
1,016.66
mp-2228502
11.305657
11.921091
-3.014228
other
Cs2Mg1Mn1V2Br2O6
14
35
323.16
mp-1223573
10.7705
12.248413
-3.552364
other
K2Ba2V4Cu2Cl2O14
26
35
454.66
mp-1173717
12.872005
6.146621
-0.617022
other
Na8Al6Si6C2N2O26
50
37
743.75
mp-693620
13.034684
6.178714
-0.65535
other
K2Ca4Be4Al2Si24O60
96
37
1,340.99
mp-1205281
6.14407
3.41231
-3.469312
other
Cu12Mo2C40S8N10Cl18
90
36
1,900.75
mp-707845
9.719332
1.630115
-2.054644
other
K12Zr4H4S4O20F20
64
36
1,003.98
mp-728124
8.740325
1.178759
-4.136061
other
Zn2Cr2H30N10Cl8F2
54
36
645.6
mp-706983
9.85956
4.671607
-6.038361
other
K6H2Pt2S4Cl4O12
30
36
582.96
mp-1200353
12.420423
6.846126
-0.565543
other
Cs8K6U6Si8O40F2
70
36
1,240.3
mp-1197764
9.526943
3.137494
-4.449831
other
Cr2Co2H30N10Cl2O16
62
36
577.09
mp-1201403
8.677186
1.465614
-4.279883
other
Zn2H26Ru2N10Cl8O4
52
36
646.59
mp-1203624
7.865044
0.303947
-4.466741
other
Si4B2As2H58C18N2
86
36
1,011.68
mp-1196293
8.497665
1.905105
-0.172646
other
K10Mo6H4S8O4F22
54
36
1,046.71
mp-1197645
7.840567
0.294407
-4.446579
other
Si4B2P2H58C18N2
86
36
962.97
mp-697127
9.846414
4.718379
-6.115312
other
K6H2Pd2S4Cl4O12
30
36
581.22
mp-1173427
7.934048
0.612838
-4.404219
other
P4H52Au2C18Cl6O8
90
36
1,168.56
mp-1218551
8.172013
10.212481
1.594072
other
Sr3Y2Fe1Cu3Bi1O12
22
38
293.45
mp-1228495
9.006495
10.153709
1.976778
other
Ba2Nb1Cu2Pb2Cl1O8
16
38
256.56
mp-1218869
7.700982
10.820809
1.067818
other
Sr2Cu2Ru1Pb2Cl1O8
16
38
236.63
mp-1233942
8.984662
2.021508
2.063816
other
Ba6Mg1Sc2C2O6F14
31
38
511.94
mp-1228449
9.14385
10.211858
2.018819
other
Ba2Ta1Cu2Pb2Cl1O8
16
38
254.96
mp-2232363
10.755269
9.899305
2.318565
other
Ba2Nd1Mg1Nb1Cu2O8
15
38
229.16
mp-1218607
8.390102
10.383579
2.296381
other
Sr4Ce1Nd3Nb2Cu4O20
34
38
454.12
mp-1218619
8.301955
10.400146
2.245376
other
Sr4Ce1Pr3Nb2Cu4O20
34
38
461.73
mp-1218731
7.576944
10.224566
1.724347
other
Sr5Ce1Nd3Cu4Pb1O18
32
38
455.34
mp-2232472
10.674515
9.944328
2.407459
other
Ba2La1Mg1Ta1Cu2O8
15
38
232.68
mp-2228476
8.920304
9.44852
1.55103
other
Sr2Y1Mg1Tl1Cu2O7
14
38
215.35
mp-1203119
8.557734
1.308344
-4.329865
other
H24Os2C8N2O8F2
46
39
540.14
mp-1224700
-4.579352
-2.326865
-4.183205
other
Hg6Sb6H12C4Se16N2
46
39
1,098.14
mp-738726
8.705878
1.443237
-4.317632
other
Zr4H64C20N8O12F16
124
41
1,260.68
mp-1215373
9.00189
1.59988
-3.56958
other
Zr4H32C8S4O8F16
72
41
867.18
mp-1221835
10.326399
4.373017
-5.560204
other
Na6Co4Cu2H16S8O34
70
4
842.88
mp-772615
9.590787
3.589753
-8.692258
other
Na2Li10Mn4P4C4O28
52
4
575.52
mp-772235
9.700691
3.57658
-8.549672
other
Na10Li2Mn4P4C4O28
52
4
630.87
mp-772418
9.588921
3.586405
-8.689805
other
Na2Li10Mn4P4C4O28
52
4
576.28
mp-556589
10.232548
3.270854
-4.548593
other
Ga2H40C4S4N2O28
80
4
771.31
mp-705041
5.580357
3.184469
-4.307916
other
Fe8P12C32N12Cl16O32
112
4
2,182.83
mp-1222936
12.818195
5.499529
-1.959282
other
Li4Al2Ga2Si4H8O20
40
4
445.73
mp-772514
9.795283
3.636505
-8.191581
other
Na10Li2Fe4P4C4O28
52
4
616.65
mp-684841
12.80747
6.451849
-0.542479
other
K2Mg6Al2Si6O20F4
40
4
522.88
mp-1204733
8.204394
0.829523
-4.414956
other
Ge2Bi2H16C4S8N2
34
4
525.34
mp-1224019
12.235684
5.598945
-5.767055
other
K4Fe2P4H6O16F4
36
4
452.34
mp-772308
9.702945
3.577976
-8.550057
other
Na10Li2Mn4P4C4O28
52
4
630.19
mp-772237
9.640287
3.708575
-8.339673
other
Na2Li10Fe4P4C4O28
52
4
561.04
mp-1193369
9.596272
6.88829
-3.454562
other
Ti2Pb4Se4Cl2O14F2
28
4
470.96
mp-1196541
8.683636
1.376265
1.208944
other
K20Li2Zr12H8O4F70
116
4
1,779.47
mp-1221349
10.367138
4.323176
-5.602531
other
Na6Zn4Cu2H16S8O34
70
4
839.19
mp-772536
9.795605
3.639498
-8.194775
other
Na10Li2Fe4P4C4O28
52
4
617.23
mp-693132
11.76288
4.449368
-5.357379
other
Zn4Ga4P8H16N4O32
68
4
823.65
mp-1211154
10.018051
7.204837
-2.128063
other
Na6Ca8Ti2Si8O32F4
60
4
798.65
mp-760344
9.45068
3.661132
-8.461616
other
Na4Li8Co4P4C4O28
52
4
570.06
mp-555612
8.176956
2.321498
-1.259763
other
Sb8Ir2C10Cl2O10F44
76
4
1,310.97
mp-1221479
10.523153
4.287246
-5.461619
other
Na6Mn4Cu2H20S8O34
74
4
878.62
mp-755754
9.583183
3.522357
-8.616972
other
Na4Li8Mn4P4C4O28
52
4
596.26
mp-1247925
8.205929
2.602618
-1.806591
other
As4C4S8N4O4F32
56
4
1,082.02
mp-699460
9.988581
3.536318
-5.129649
other
K2Li2H8S4N4O12
32
4
395.4
mp-1202315
7.860411
0.154085
-4.495823
other
Ti2Si14H84C28Cl4O4
136
4
1,859.86
mp-760210
9.341198
3.860726
-8.40815
other
Na4Li8Ni4P4C4O28
52
4
531.95
mp-761124
8.838607
4.627188
-8.256749
other
K2Li2Mn2P2C2O14
24
4
340.5
mp-1198531
6.314727
3.972943
-4.330539
other
U2C8S2N2Cl2O16
32
4
772.67
mp-772274
9.645212
3.715999
-8.345
other
Na2Li10Fe4P4C4O28
52
4
562.14
mp-761146
9.627956
3.577103
-8.560194
other
K2Li4Mn2P2C2O14
26
4
336.89
mp-1210862
11.048247
6.959165
-1.522081
other
Na4Ca10Ti2Si8O32F4
60
4
797.65
mp-1207539
10.840076
3.637892
-4.852774
other
Zn4P6H20C2N6O24
62
4
693.85
mp-770772
9.660542
3.662031
-8.360911
other
Na4Li8Fe4P4C4O28
52
4
579.11
mp-1220230
12.390045
5.669474
-6.098375
other
Rb4Mn2P4H6O16F4
36
4
478.2
mp-760044
8.758343
4.82126
-8.320622
other
Na2Li2Mn2P2C2O14
24
4
301.12
mp-1195533
8.016981
2.935842
-2.544445
other
Li2Al2C32Cl24O8F48
116
4
1,804.45
mp-1225031
10.18259
4.626482
-4.506591
other
K2Rb2Cu2H24Se4O28
62
4
729.31
mp-1224478
12.485999
5.26813
-5.549023
other
K4Ga2P4H6O16F4
36
4
442.3
mp-560093
2.882977
2.287472
1.728503
other
Sr10Sm6Al6Si30N54O7
113
42
1,427.28
mp-1236558
6.529309
4.921408
-4.432136
other
K2Ba1Li1Co1N6O12
23
42
346.62
mp-557580
4.614131
2.818446
-3.595343
other
Cd1Hg4C6S6Br4N6
27
42
739.79
mp-2230710
14.476688
7.904024
-3.896631
other
Na3Mg1Ti2P2O10F1
19
42
226.79
mp-1233039
6.576289
4.925258
-4.439072
other
K2Ba1Mg1Co1N6O12
23
42
358.37
mp-1223558
9.804842
2.217694
-4.052034
other
K1H8W1N2O3F3
18
42
191.32
mp-1218876
7.913599
10.331414
1.885771
other
Sr4Ce4Y2Co2Cu4O22
38
46
509.1
mp-1218697
7.809944
10.136772
1.638249
other
Sr12Ca2Y4Ga6Cu12O42
78
46
1,037.55
mp-2240085
8.923818
1.964064
1.876541
other
K2Na1Mg1Ti1O1F5
11
44
192.92
mp-2240253
11.831763
9.833494
2.094738
other
Sr1La1Mg1Nb1Zn1O6
11
44
164.35
mp-1218533
7.531152
10.034762
1.298002
other
Sr3La1Cu2Hg1Bi1O10
18
44
253.45
mp-2240035
9.154305
2.172608
1.944377
other
K2Na1Mg1V1O1F5
11
44
186.13
mp-1201488
11.424592
4.597265
-4.757909
other
Na4Ca2Ni4P8H40O48
106
43
1,103.15
mp-757310
9.004027
1.931683
-4.483881
other
Zn2P4H28C4N12O12
62
43
653.24
mp-1199010
10.684744
5.077922
-5.3811
other
Zn2P4H6C8N2O16
38
43
594.97
mp-1200508
8.537982
2.157654
-4.669354
other
Rb2P2H12C4N8O8
36
43
402.46
mp-1204300
12.764425
5.739753
-1.668131
other
Na4Ca4Al12Si18H32O76
146
43
1,765.71
mp-1205066
9.038814
3.548296
-5.655534
other
K4Fe4H16C8Cl4O26
62
43
850.99
mp-745984
8.99548
3.068594
-4.620116
other
Sr4Re8H32C6N12O42
104
43
1,357.14
mp-1204100
12.761616
5.735657
-1.668338
other
Na4Ca4Al12Si18H32O76
146
43
1,780.65
mp-1197055
8.246801
1.808269
-4.480696
other
Cd2H24C8I4N8O8
54
43
815.77
mp-1202391
8.506961
2.157208
-4.660044
other
K2P2H12C4N8O8
36
43
385.65