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-1028121
-7.180139
-10.92574
5.901089
other
Ca1Mg14Cr1
16
38
375.85
mp-1026408
-6.853208
-11.056144
5.657944
other
Ba1Mg14Sn1
16
38
401.87
mp-1023061
-7.645185
-10.251639
6.564993
other
Y2Mg12Ni2
16
38
353.84
mp-1016661
-8.308125
-11.260355
5.995214
other
Mg12Ga2Mo2
16
38
314.16
mp-1028112
-6.679536
-10.955977
6.017591
other
Ba1Ca1Mg14
16
38
419.25
mp-1017167
-7.380927
-10.833017
6.676869
other
Hf1Mg6C1
8
38
178.56
mp-1216709
-4.73522
0.237016
3.023202
other
Ti1Nb1B2
4
38
44.28
mp-1026688
-6.751812
-10.957672
5.915077
other
Na1Sr1Mg14
16
38
402.84
mp-1017117
-6.971084
-11.696524
5.061232
other
Mg12Sb2C2
16
38
341.43
mp-1028211
-7.057066
-10.853019
5.829386
other
Ca1Mg14Al1
16
38
372.85
mp-1017498
-7.298028
-10.337932
5.558967
other
Ce2Mg12Bi2
16
38
414.51
mp-1028350
-7.413903
-10.917557
5.262652
other
Mg14Cd1Ni1
16
38
340.54
mp-1216421
-7.212724
-2.875759
4.988679
other
U4Al4Co4
12
38
195.65
mp-1218022
-6.463168
-0.986421
4.075169
other
Ta4Cr4Co4
12
38
155.63
mp-1419473
-7.665429
-5.795563
3.609018
other
Ca2In8Ni2
12
38
255.22
mp-1219944
-7.487884
-5.730389
4.063361
other
Pr2Mn1Sn4
7
38
188.53
mp-780129
12.506326
1.002459
2.508405
other
Fe10O5F15
30
38
365.66
mp-989626
0.825529
2.622293
1.849148
other
La2W2N6
10
38
131.99
mp-2218875
12.537159
11.702067
1.884918
other
Mg1Ti4O8
13
38
140.72
mp-1017090
-6.089214
-11.293074
5.925812
other
Cs2Ba2Mg12
16
38
552.33
mp-1022931
-7.434591
-11.075287
4.88182
other
Mg12Mn2Sb2
16
38
345.16
mp-1022617
-7.704963
-10.224207
6.478426
other
Mg12Zr2Cu2
16
38
335.05
mp-1026831
-6.863915
-11.007751
5.886285
other
Sr1Li1Mg14
16
38
392.29
mp-1022970
-7.524344
-11.018162
5.572652
other
Li2Mg12Mn2
16
38
336.85
mp-1099319
-6.476995
-11.262898
5.634649
other
Rb1Mg6Ni1
8
38
213.56
mp-1027942
-7.599987
-10.504888
6.201921
other
Mg14Zr1Cu1
16
38
348.69
mp-1028285
-6.712289
-11.111948
5.915275
other
Cs1Mg14Al1
16
38
402.07
mp-1225104
12.209968
11.54413
-0.267197
other
Fe9P1O12
22
38
248.16
mp-1216425
-6.328274
-0.950935
3.716994
other
V4Co4Si4
12
38
141.32
mp-1027927
-7.615077
-10.474906
6.313087
other
Hf1Mg14Zn1
16
38
353.48
mp-1099273
-7.693126
-9.964482
6.500831
other
Ce1Mg6Zn1
8
38
192.71
mp-1222417
-7.943086
-3.465368
5.698403
other
Lu4Al4Co4
12
38
201.02
mp-1026609
-6.8947
-11.129896
5.321517
other
Rb1Mg14Bi1
16
38
407.86
mp-1017201
-7.175531
-11.10414
4.514623
other
Mg12Cd2Sb2
16
38
368.23
mp-1016621
-7.181284
-11.563854
5.980096
other
Mg12Cr2B2
16
38
300.15
mp-1221672
-6.757185
-2.254445
6.439404
other
Mn1Al12Fe1
14
38
206.51
mp-1215296
-6.969479
-1.322245
4.704715
other
Zr4Mn4Cr4
12
38
178.12
mp-1226490
10.454359
9.663757
3.861239
other
Ce1Zr3O8
12
38
147.19
mp-1022217
-7.987946
-10.484263
6.321037
other
Mg12Nb2Fe2
16
38
303.33
mp-1225524
-5.426208
-4.166415
5.924668
original
Er2Si1Ge1
4
38
85.01
mp-1022195
-8.520859
-11.266449
6.119494
other
Mg12Fe2W2
16
38
300.89
mp-1022677
-6.63641
-11.121485
5.89959
other
Sr2Mg12Zn2
16
38
411.34
mp-1226764
-7.6207
-3.290837
5.375829
other
Ce4Al4Ru4
12
38
226.68
mp-1028041
-7.616599
-10.191988
6.539645
other
Y1Mg14Ti1
16
38
373.02
mp-1026718
-7.758859
-10.041901
6.594847
other
Ce1Mg14Nb1
16
38
361.25
mp-1021421
-6.950309
-11.218265
5.14161
other
Mg12Si2Sn2
16
38
345.26
mp-1026669
-7.044507
-10.876251
6.215789
other
K1Mg14Ti1
16
38
385.83
mp-1022517
-6.796727
-10.618355
6.313818
other
Rb1Mg6Zr1
8
38
220.38
mp-1206251
-7.107775
-4.357492
4.883552
original
Ce2Ge6Pt1
9
38
191.53
mp-764103
12.785896
-0.283332
0.065743
other
Mn6O7F5
18
38
201.77
mp-1021407
-6.655376
-10.977345
5.439635
other
Sr2Mg12Sn2
16
38
420.36
mp-1021680
-7.996278
-10.237247
6.51757
other
Hf2Mg12V2
16
38
342.12
mp-1022473
-8.37153
-10.561045
6.310702
other
Mg12Zr2Mo2
16
38
336.4
mp-1229047
-6.204291
-0.606078
3.700939
other
Al4Co4W4
12
38
157.23
mp-1099079
-7.293744
-10.573906
5.948456
other
Ce1Mg14Sn1
16
38
385.65
mp-1215327
-7.84868
-3.395003
4.664342
other
Zr4Al4Ir4
12
38
206.52
mp-1017258
-7.026906
-11.769295
5.059555
other
Mg12Bi2B2
16
38
359.27
mp-999122
-2.924351
0.525732
2.656993
other
Tb1Fe1C2
4
38
49.39
mp-1021290
-6.321841
-11.15122
5.804482
other
Rb2Li2Mg12
16
38
443.79
mp-1219406
-5.452291
-2.565392
4.81747
other
Sc6Si6Mo4
16
38
272.55
mp-1022646
-8.475208
-10.83934
6.448628
other
Y2Mg12W2
16
38
354.41
mp-1017192
-6.101767
-11.176762
5.924398
other
Rb2Ba2Mg12
16
38
514.58
mp-1639132
6.301651
13.048688
-2.728578
other
Co8O12F4
24
38
240.47
mp-1021656
-7.395623
-10.084153
6.365853
other
Li1Ce1Mg6
8
38
206.35
mp-1206011
-6.970233
-4.124404
5.164325
other
Tb2Ni1Ge6
9
38
175.02
mp-1021293
-7.367123
-10.184317
6.393486
other
Li2La2Mg12
16
38
406.29
mp-1017183
-6.712984
-11.160233
5.863009
other
Rb2Mg12Cr2
16
38
417.17
mp-1021720
-6.845013
-11.171
6.12556
other
Ba2Mg12V2
16
38
423.68
mp-1026612
-6.86943
-11.138719
5.373416
other
Rb1Mg14Sb1
16
38
402.01
mp-752594
5.277479
12.017603
-2.437774
other
Fe8O12F4
24
38
265.03
mp-1017186
-7.165892
-11.113018
4.528695
other
Mg12Cd2Sb2
16
38
370.67
mp-1021382
-7.236305
-10.618047
6.462135
other
Na2Mg12Ti2
16
38
370.72
mp-1099264
-7.3079
-11.284163
5.981745
other
Mg6Mn1C1
8
38
147.71
mp-1215531
-5.138496
-2.851243
-4.21385
other
Zn3Cd1Se4
8
38
201.15
mp-752495
12.484206
1.013227
2.51608
other
Fe8O4F12
24
38
293.5
mp-1022457
-7.936
-10.431033
6.375706
other
Mg12Ti2Fe2
16
38
297.89
mp-1021352
-7.8456
-9.86301
6.683578
other
Mg12Ti2Nb2
16
38
332.84
mp-1022048
-7.975251
-10.879862
5.758337
other
Mg12Cr2Co2
16
38
303.86
mp-1022599
-6.870782
-11.064782
5.661427
other
Na2Mg12Zn2
16
38
363.55
mp-1023150
-7.711021
-11.190959
6.247783
other
Ca2Mg12Mo2
16
38
361.13
mp-1027902
-7.425897
-10.486656
6.271026
other
La1Mg14Cu1
16
38
373.76
mp-1021683
-7.295086
-11.090898
5.978989
other
Na2Mg12V2
16
38
366.87
mp-1022607
-7.298408
-10.98993
5.091482
other
Mg12Zn2Cd2
16
38
341.46
mp-995191
7.784271
5.334391
-1.427627
other
Ba1Ti1O3
5
38
85.46
mp-1027850
-7.661516
-10.593199
6.223477
other
Mg14Ti1Cu1
16
38
340.93
mp-1022101
-8.314588
-11.1101
5.998921
other
Mg12Cu2Mo2
16
38
308
mp-1023300
-6.403004
-11.189272
5.890008
other
Rb2Mg12Al2
16
38
425.13
mp-1028039
-7.438274
-10.985065
5.360002
other
Mg14Zn1Co1
16
38
334.17
mp-1022793
-6.457535
-10.805322
6.401631
other
Cs2Y2Mg12
16
38
466.56
mp-1026414
-7.44347
-10.720304
5.648035
other
Mg14Ti1Sb1
16
38
361.89
mp-1021380
-7.089931
-10.824128
4.712592
other
Mg12Cd2Sn2
16
38
365.08
mp-1022601
-7.171073
-11.184181
5.475887
other
Li2Mg12Zn2
16
38
337.26
mp-1023291
-6.140687
-10.961861
5.853012
other
Rb2Ca2Mg12
16
38
473.15
mp-1026854
-6.448003
-11.187204
5.946104
other
Cs1K1Mg14
16
38
433.34
mp-998235
8.18885
0.70887
0.924663
other
Cs1Tl1F3
5
38
110.35
mp-850904
12.088607
-0.761294
1.007603
other
Mn10O5F15
30
38
378.91
mp-1023505
-7.566185
-10.976509
5.675391
other
Mg12Al2Fe2
16
38
315.4
mp-1021344
-7.839601
-9.836871
6.651822
other
Mg12Ti2Nb2
16
38
334.68
mp-1099114
-6.920321
-11.064274
5.854846
other
Ca1Mg6Co1
8
38
180.36
mp-1205887
-7.079867
-4.194121
4.943928
other
Er2Ge6Pd1
9
38
180.73