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-754503
12.618179
9.381149
2.196081
other
Zr2Br2O2
6
166
117.74
mp-1043649
7.9733
8.802097
-0.878279
other
Zn1Bi4O8
13
166
213.53
mp-1225299
-3.435065
-2.685409
-5.089864
other
Eu2Se1S1
4
166
108.63
mp-1388711
12.813363
13.39341
-1.129278
other
Mg1V4O8
13
166
151.75
mp-9368
-2.740589
-2.649509
-5.74893
other
Rb1Tm1S2
4
166
105.95
mp-1216110
-7.54053
-0.354667
5.784081
other
Y2Al1Fe3
6
166
105.85
mp-22750
12.096651
6.662508
-4.666232
other
P2Pb3O8
13
166
183.5
mp-1227722
0.994914
1.531926
-5.152192
other
Ba1Sr4Cl10
15
166
453.96
mp-29151
0.646536
1.957771
-4.272285
other
Li5N1Cl2
8
166
107.36
mp-10989
-4.681908
-3.699128
-3.836789
other
K1Yb1Se2
4
166
122.29
mp-1216136
-7.958334
-2.772924
5.764307
other
Y2Al1Co3
6
166
97.35
mp-28006
-5.423806
-4.255736
0.599849
other
Ca1Cu4As2
7
166
111.01
mp-769173
8.655751
1.979381
2.434544
other
Pr2O2F2
6
166
91.96
mp-561586
-2.972631
-2.525609
-5.466452
other
Cs1La1S2
4
166
131.65
mp-1228758
-6.145943
-1.92136
1.257465
other
As1P1Rh4
6
166
88.03
mp-1215248
1.198498
1.318418
2.733037
other
Zr1U1N2
4
166
53.37
mp-1228867
-6.297088
-2.112855
1.318541
other
As4P1Rh10
15
166
234.14
mp-7002
12.788975
10.794598
1.664732
other
Na1Ti1O2
4
166
42.45
mp-9166
4.775865
1.983126
-2.612164
other
Mg1C1N2
4
166
43.4
mp-1222687
-9.017654
-4.897301
3.856358
other
Li2Cu3Ge1
6
166
84.39
mp-1044224
12.920368
10.435147
0.144319
other
Ca1W4O8
13
166
204.33
mp-1405110
-3.919173
-0.301869
-4.588187
other
Ca1Ti4S8
13
166
263.35
mp-1407346
-4.748356
0.290944
-4.705029
other
V4Zn1S8
13
166
231.18
mp-1120803
1.139716
2.102357
-5.613145
other
K2Sr1Cl4
7
166
220.91
mp-1216657
-4.589632
-3.471169
0.70945
other
U2P1S1
4
166
89.26
mp-1282693
7.413463
12.742836
-1.4185
other
Fe2Ni4O8
14
166
145.86
mp-1222193
-7.835139
-10.793276
5.371933
other
Mg12Cu3Ni3
18
180
308.68
mp-1103146
-8.330674
-3.315989
2.66392
other
Tm3B3Pt6
12
180
190.82
mp-1209526
-8.26934
-3.428508
2.669092
other
Pr3B3Pt6
12
180
208.86
mp-5971
-8.294186
-3.391639
2.675477
other
Y3B3Pt6
12
180
195.67
mp-3082
11.287773
3.815382
-7.512219
other
Ca3S3O12
18
180
264.33
mp-1095422
-8.223095
-3.442192
2.717887
other
Yb3B3Pt6
12
180
195.75
mp-1232370
13.805811
4.987854
-6.666656
other
Y3P3O12
18
180
264.01
mp-1208338
-7.050124
-4.431506
3.007208
other
Ti3Mn3Sn12
18
180
370.81
mp-1095320
-8.215543
-3.308284
2.535093
other
Lu3B3Pt6
12
180
188.7
mp-10468
-8.251842
-3.44834
2.787673
other
Ce3B3Pt6
12
180
207.37
mp-14190
13.885394
5.106845
-6.388393
other
Nd3P3O12
18
180
278.33
mp-569048
-9.006524
-0.706519
4.289547
other
Mg6B6Ir6
18
180
227.7
mp-8133
14.050939
5.013871
-6.641928
other
La3P3O12
18
180
291.26
mp-31052
-8.345756
-3.462715
2.618442
other
La3B3Pt6
12
180
213.06
mp-569341
-8.268625
-3.421259
2.655235
other
Nd3B3Pt6
12
180
206.24
mp-8382
14.117277
7.094917
-4.603678
other
Ce3P3O12
18
180
284.58
mp-26644
9.231579
7.913947
-5.533763
other
Fe4P8O28
40
14
556.3
mp-755908
8.29288
10.955688
-3.575593
other
Mn4Cr4O16
24
14
308.56
mp-726333
7.258321
6.909373
-4.078664
other
Na6Np2O16
24
14
333.14
mp-566602
8.128319
11.86195
1.72381
other
La4Mn4O12
20
14
332.11
mp-15438
13.15323
6.765186
-6.612954
other
Zn4P16O44
64
14
823.31
mp-759361
13.92027
7.453784
-6.189867
other
Fe4P16O44
64
14
837.15
mp-772586
7.789882
10.081177
-3.940742
other
Li8Cr8O28
44
14
595.71
mp-759392
10.413093
0.063433
0.243336
other
Li8Mn4F20
32
14
356.05
mp-1202186
9.332214
7.51054
-2.775152
other
Be12Si4O24
40
14
411.63
mp-18256
13.846128
4.600115
-2.049763
other
Mg8B8O20
36
14
340.64
mp-1203433
10.626536
7.881713
-3.468277
other
Hg12As4O20
36
14
575.06
mp-10552
-4.425423
-2.543766
-3.647472
other
Rb4B4Se12
20
14
579.42
mp-1204044
9.702313
2.701669
-4.272028
other
H20N4O8
32
14
239.19
mp-756419
9.205087
11.524432
0.9959
other
Sc4Fe4O12
20
14
201.37
mp-772035
1.100462
1.636759
-5.150054
other
Ba8La8Cl40
56
14
1,624.31
mp-29488
9.562263
8.908196
0.243073
other
Na8Zn4O8
20
14
258.03
mp-732208
8.11558
2.046854
-0.440462
other
Zr4N4F20
28
14
506.36
mp-1204958
4.996441
3.045802
-3.355853
other
Cs4Mn4N36
44
14
730.15
mp-1179266
11.9882
6.912217
0.689486
other
Y8Si4O20
32
14
421.45
mp-1213505
7.675679
7.512179
-4.003202
other
Er8C4O28
40
14
603.61
mp-542453
14.288868
5.261263
-7.490897
other
Nb8P8O40
56
14
813.64
mp-625391
10.861435
3.866548
-4.010235
other
Na8H24O16
48
14
448.1
mp-760178
10.495607
2.352224
-0.412097
other
V4O4F12
20
14
267.5
mp-541722
-0.075887
1.140017
-4.138514
other
Cs4Ba8Br20
32
14
1,235.09
mp-619651
-3.65663
-4.727152
0.731308
other
Cs24Al8P16
48
14
1,862.93
mp-1196865
8.965028
8.4793
-0.102398
other
Cs16In4O14
34
14
904.33
mp-768396
9.944407
6.841655
-3.068539
other
Tm8Se8O24
40
14
616.8
mp-18958
10.767842
10.795099
-3.577797
other
U4Mo4O24
32
14
516.89
mp-866520
-3.385185
-1.761809
-5.61754
other
Ca8Sn4S16
28
14
727.76
mp-779880
10.545033
7.876633
1.208915
other
Ba16Ge8O32
56
14
1,144.56
mp-27739
10.171805
4.9807
-6.348203
other
As8S8O36
52
14
736.93
mp-1182606
7.839109
7.674992
-4.103527
other
Mo16N12O62
90
14
1,758.76
mp-769712
8.336906
9.713292
-0.172138
other
Rb12Fe4O12
28
14
622.64
mp-1101358
-1.191943
2.006619
-1.791629
other
Sr4Ca2I12
18
14
757.78
mp-1180673
9.72438
0.653707
0.130715
other
Li4Cr2F12
18
14
195.96
mp-753953
11.476184
8.018204
-0.766637
other
Gd4As4O12
20
14
301.32
mp-504601
9.136213
8.540502
-0.058241
other
Cs16Zn8O16
40
14
956.86
mp-26524
12.388068
9.054358
-7.527642
other
V4P8O28
40
14
499.41
mp-1188483
5.613012
-0.198908
-3.016705
other
Ca4B8H8
20
14
200.2
mp-29972
-3.865437
-3.904988
0.964372
other
Nd8P12Au4
24
14
528.25
mp-531778
12.023892
7.339778
-1.194838
other
Mg34As12O64
110
14
1,204.53
mp-770372
10.105474
9.588522
3.612177
other
Ce4Hf4O16
24
14
319.56
mp-671855
1.645739
2.56715
-4.73112
other
K16Nb16Cl96
128
14
3,761.64
mp-27452
1.942782
2.458398
-5.040293
other
Al4Pd2Cl16
22
14
646.91
mp-1208061
9.761488
10.986143
-3.11733
other
Tm4W4O20
28
14
406.73
mp-28207
8.509173
6.427075
-6.000868
other
V8S8O44
60
14
813.37
mp-1214405
7.462936
2.592493
-2.717884
other
C48I8F56
112
14
1,679.91
mp-1100817
11.957401
10.093445
2.463611
other
Zr8Pb8O20
36
14
626.75
mp-1193215
7.192439
7.703987
-3.519768
other
Li4I4O20
28
14
407.74
mp-18471
10.722955
9.090818
2.243165
other
Sr8U4O20
32
14
520.6
mp-26390
14.54437
6.730968
-6.080315
other
Nb8P12O48
68
14
983.6
mp-734053
8.590651
7.30881
-3.83161
other
Mn4Se12O32
48
14
712.34
mp-3956
10.546885
9.031157
2.56025
other
Sr6U2O12
20
14
323.82
mp-1213807
-5.678191
-4.033264
4.813511
other
Ce8Si8Pd8
24
14
500.06
mp-1102395
-6.359731
-2.957009
0.293237
other
Sb4Ru4Se4
12
14
244.08
mp-1047768
11.147107
9.002255
-5.043317
other
V6As8O32
46
14
599.72
mp-1043716
6.597408
8.962805
-1.177794
other
Mg4Bi8O20
32
14
527.08
mp-583581
1.918353
2.909708
-4.535561
other
W8N4Cl36
48
14
1,297.86