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-723049
9.826616
1.900535
-3.688586
other
Be4H16N4F12
36
19
367.19
mp-759181
13.762415
7.217
-6.797937
other
Li4Mn4P12O36
56
19
652.64
mp-1177922
8.85545
14.692875
-1.164633
other
Li8Mn12V4O32
56
19
604.32
mp-1201284
8.014869
7.083628
-4.772976
other
Y4Ni4S4O28
40
19
533.53
mp-1197546
9.970424
7.856548
-4.636919
other
Ca4Cu4As4O20
32
19
416.32
mp-567873
-4.752188
-3.155652
-3.488236
other
Rb4Sm4Ge4Se16
28
19
884.95
mp-13792
13.493694
6.056118
-7.063621
other
K4Ta4P16O52
76
19
1,137.11
mp-1201071
10.425442
4.166785
-4.267713
other
Mg4H56Se4O44
108
19
1,043.01
mp-1210995
1.607155
2.4339
-4.915204
other
Li8Zn4H8Cl16
36
19
734.68
mp-779084
14.264372
7.377914
-6.221788
other
Li4Cr4P12O36
56
19
692.39
mp-698317
8.943936
3.469671
-5.748579
other
Nd8H32C24O64
128
19
1,427.93
mp-1192417
11.464419
7.420638
-0.844736
other
Ba4Ge4Pb4O16
28
19
492.34
mp-758454
13.298866
8.116309
-6.412546
other
Li4P16W4O52
76
19
1,018.96
mp-1198408
7.93182
11.092238
0.39116
other
Ba8H4Ru12O40
64
19
890.43
mp-14929
12.531556
8.912487
-7.247189
other
K4V12P16O68
100
19
1,344.99
mp-32123
12.591428
9.104416
-4.925596
other
Li4Mo8P4O32
48
19
625.94
mp-560394
11.09193
7.718884
-2.70004
other
As8Pb8Cl8O16
40
19
842.11
mp-23934
10.764277
3.256959
-4.505434
other
P4H24N4O16
48
19
487.96
mp-1209641
8.051055
2.129923
-0.985687
other
Sb8Te12Se12F48
80
19
1,831.35
mp-769377
8.319352
2.874537
-2.532737
other
Sb4S4O16F12
36
19
640.9
mp-581303
12.061277
6.863711
-6.839388
other
Na4Cu4P4O16
28
19
348.73
mp-1210886
11.029799
6.775609
-1.702756
other
Na8Zr4Si12O40
64
19
987.99
mp-1200178
9.956669
5.23926
-4.304355
other
Tb4H20Se8O32
64
19
822.37
mp-1020060
9.826837
4.834506
-6.275614
other
Li8B8S32O112
160
19
2,251.91
mp-775865
11.128938
13.014145
1.335139
other
Li8Ti12Mn4O32
56
198
619.92
mp-1214740
12.913162
6.034727
-0.636729
other
Ba8Zr8Si12O48
76
198
1,146.04
mp-757447
11.601542
7.256906
-2.207019
other
Li4Fe4Si4O16
28
198
385.2
mp-1228410
2.560766
2.230866
2.035398
other
Ce16Si16N24O20
76
198
1,108.99
mp-1223415
13.656322
5.689819
-7.44047
other
K4Ti8P12O48
72
198
976.91
mp-1195997
7.900251
0.597371
-4.015005
other
Y4B12H120N24
160
198
1,659.86
mp-704943
8.212397
14.597257
-0.911186
other
Li8Mn12Zn4O32
56
198
572.27
mp-1210176
8.005207
6.544193
-5.354859
other
Ni8S12N8O48
76
198
1,002.83
mp-1211110
8.349696
6.412681
-5.564365
other
Mn8S12N8O48
76
198
1,026.17
mp-1209634
9.969881
4.750838
-6.960542
other
Rb8Co8S12O48
76
198
1,052.35
mp-1214371
9.129951
0.889696
1.169506
other
Be12Tl8Co8F48
76
198
1,112.36
mp-779116
11.791105
12.218807
1.707431
other
Li8Ti12Sn4O32
56
198
678.07
mp-568612
0.435415
1.574378
-4.858906
other
Sn4Hg24P16Cl24
68
198
1,786.5
mp-769597
12.060332
7.606572
-1.064872
other
Li8Co4Ge12O32
56
198
549.18
mp-1196652
11.67801
11.146754
-3.550937
other
Rb8Mn8Mo12O48
76
198
1,409.22
mp-1200201
0.469859
1.555082
-4.825533
other
Hg24P16Pb4Cl24
68
198
1,785.16
mp-1209582
9.894214
4.922745
-7.028726
other
Rb8Ni8S12O48
76
198
1,029.92
mp-1211164
8.016542
2.475587
-1.296584
other
Th8N28O4F60
100
198
2,322.84
mp-1211021
8.47664
1.727833
-0.388599
other
Mg8Be12N8F48
76
198
1,020.24
mp-1225097
-6.278842
0.034994
3.338755
other
Fe4Ni4Mo12N4
24
198
294.51
mp-1210699
9.316137
1.204977
1.400857
other
Mn8Be12Tl8F48
76
198
1,129.2
mp-1209690
8.883518
0.838468
1.400188
other
Rb8Be12Zn8F48
76
198
1,059.2
mp-1214313
8.960709
1.089746
1.404871
other
Be12Tl8Zn8F48
76
198
1,068.94
mp-1195571
11.536154
11.184114
-2.50473
other
Cs8Mg8W12O48
76
198
1,378.48
mp-15266
9.269642
1.059385
1.394952
other
K8Mn8Be12F48
76
198
1,096.77
mp-21807
9.888708
4.874323
-6.880423
other
K8Co8S12O48
76
198
1,020.68
mp-1212123
8.90731
1.502173
-0.254661
other
Mn8Be12N8F48
76
198
1,021.1
mp-1209900
11.294019
10.913658
-3.762934
other
Rb8Co8Mo12O48
76
198
1,302.49
mp-1209719
9.065557
0.643852
1.047966
other
Rb8Be12Ni8F48
76
198
1,034.4
mp-1211880
8.884315
7.497791
-4.520973
other
K8Yb8P12O48
76
198
1,270.65
mp-1209476
10.574338
4.358147
-6.980789
other
Rb8Fe8S12O48
76
198
1,080.64
mp-1199607
10.931841
7.659207
-3.409622
other
Ag16Te4S4O16
40
198
722.46
mp-6067
10.117924
4.501707
-6.968825
other
Tl8Cd8S12O48
76
198
1,189.57
mp-1212179
11.392643
7.591489
-7.284019
other
K8Cr8P12O48
76
198
974.3
mp-1212309
11.421835
11.135776
-3.757035
other
K8Mg8Mo12O48
76
198
1,305.18
mp-766024
13.721887
8.453414
-0.953436
other
Li4V4Si4O16
28
198
392.44
mp-6531
10.298703
4.498544
-7.292827
other
K8Mn8S12O48
76
198
1,093.81
mp-1212103
9.843557
7.90808
-6.003869
other
K8Fe8P12O48
76
198
1,011.32
mp-775327
11.852247
13.618843
-1.365855
other
Li8Mn4V12O32
56
198
614.6
mp-571478
-0.780579
2.059789
-3.579254
other
Sn4Hg28As16I24
72
198
2,462.95
mp-1214337
9.136681
0.909332
1.077036
other
Be12Tl8Ni8F48
76
198
1,033.74
mp-1213033
8.392059
6.259134
-5.619102
other
Fe8S12N8O48
76
198
968.35
mp-1210645
9.393158
7.307918
-5.22901
other
Na24Zn12P16O76
128
198
1,730.33
mp-567185
-0.511991
1.287989
-4.374941
other
Sn4Hg24As16Br24
68
198
2,071.21
mp-13614
8.767718
0.898744
1.340291
other
Rb8Be12Cd8F48
76
198
1,122.62
mp-734169
9.004753
4.692895
-5.781199
other
Na12Sb4S16O36
68
198
1,403.59
mp-774631
12.626144
13.369324
-0.717192
other
Li8Ti4V12O32
56
198
583.31
mp-944271
10.539769
4.417534
-6.933434
other
K8Fe8S12O48
76
198
1,044.12
mp-1209683
8.71489
0.816737
1.566839
other
Rb8Ca8Be12F48
76
198
1,153.8
mp-1212188
9.083536
0.723435
0.996904
other
K8Be12Ni8F48
76
198
1,009.85
mp-6299
10.921372
4.174374
-7.499731
other
K8Mg8S12O48
76
198
1,021.8
mp-774752
10.805508
12.570319
1.814066
other
Li8Mg4Ti12O32
56
198
603.43
mp-570135
-0.296713
1.285261
-4.383546
other
Sn4Hg28P16Br24
72
198
2,100.18
mp-1209662
8.893485
0.730186
1.490121
other
Rb8Mg8Be12F48
76
198
978.41
mp-643293
3.248715
-0.770372
-2.193406
other
Sr4Mg4Ni4H16
28
198
331.38
mp-765442
14.31702
7.162331
-7.05355
other
Li4Mn4P4O16
28
198
383.91
mp-1194526
8.180017
6.51608
-5.25867
other
Mg8S12N8O48
76
198
1,025.86
mp-1209577
11.483925
6.425599
-6.190725
other
Rb8Y8P12O48
76
198
1,209.59
mp-6372
8.882375
0.885005
1.379235
other
K8Be12Zn8F48
76
198
1,038.79
mp-1225033
-6.322754
-0.188505
3.420659
other
Fe4Mo12Pt4N4
24
198
311.81
mp-1213801
11.663823
11.090505
-3.511712
other
Cs8Mn8Mo12O48
76
198
1,432.54
mp-1213820
11.44881
11.1151
-3.740803
other
Cs8Mg8Mo12O48
76
198
1,356.85
mp-1214315
8.835212
1.128643
1.348538
other
Be12Tl8Cd8F48
76
198
1,209.67
mp-1191636
12.917929
5.244282
-2.025752
other
Cs4Cd4B4O12
24
198
446.26
mp-1209586
9.927766
7.829631
-6.047109
other
Rb8Fe8P12O48
76
198
1,030.22
mp-1211724
11.718187
11.135781
-3.419982
other
Mn8Tl8Mo12O48
76
198
1,389.87
mp-558945
10.580792
8.075594
-3.438004
other
Hg12As4Br4O16
36
198
658.75
mp-765588
14.528529
7.74563
-5.897322
other
Li4Fe4P4O16
28
198
376.63
mp-6276
10.260214
4.348317
-7.180915
other
K8Cd8S12O48
76
198
1,151.41
mp-738646
6.669184
5.949276
-3.555007
other
Ag16Te4Cl8O24
52
198
922.38
mp-1213390
6.207124
5.189567
-4.518421
other
Li12Nd8N36O120
176
198
2,349.6
mp-15598
9.849929
5.022316
-6.967262
other
K8Ni8S12O48
76
198
986.99
mp-775284
8.177971
14.472652
-1.203467
other
Li8Mn12Ni4O32
56
198
570.25
mp-1210788
10.169323
4.585361
-7.095178
other
Mn8Tl8S12O48
76
198
1,119.22
mp-6115
10.270038
4.417775
-7.26544
other
K8Zn8S12O48
76
198
970.25
mp-621964
-4.792044
-3.151034
-3.69621
other
K8Rb4Bi4Se12
28
198
1,027.92