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-1023083
-7.786061
-10.282752
6.688595
other
Y2Mg12Mn2
16
38
368.71
mp-1215357
-7.168842
-2.786936
4.717197
other
Zr4Al4Co4
12
38
189.67
mp-1217346
-6.159187
-0.9773
4.13481
other
Ti3Cr17Si12
32
38
390.4
mp-1026885
-7.0942
-11.063168
5.482507
other
Na1Mg14Cu1
16
38
355.71
mp-1101184
13.072833
13.163247
-1.774331
other
V6O10F2
18
38
182.18
mp-1206790
-7.107996
-3.92981
5.164254
other
Y2Co1Ge6
9
38
175.72
mp-1207027
-7.018543
-4.181278
5.16913
other
Pr2Ni1Ge6
9
38
188.45
mp-1223885
-5.781104
-3.734673
-1.343644
other
K1Th2Te6
9
38
330.5
mp-1017497
-7.36806
-10.347484
6.480906
other
La1Mg6Si1
8
38
194.99
mp-1021709
-7.675716
-11.112119
5.450395
other
Mg12V2Sn2
16
38
342.48
mp-1022159
-7.699939
-11.057668
5.457056
other
Mg12Cd2Fe2
16
38
316.6
mp-1028026
-7.87078
-11.104021
5.807837
other
Mg14Zn1Mo1
16
38
337.38
mp-1022454
-7.580055
-10.478569
5.580634
other
Mg12Zr2Bi2
16
38
366.86
mp-1026521
-7.303988
-10.683085
6.194891
other
Na1Mg14Ti1
16
38
367.54
mp-1028163
-7.209259
-11.00922
4.965996
other
Mg14Al1Bi1
16
38
371.61
mp-1099115
-6.87885
-10.824636
6.316863
other
Cs1Ce1Mg14
16
38
413.17
mp-1226133
0.32272
2.08302
2.331018
other
Co1Mo4N5
10
38
99.08
mp-1022654
-7.640147
-10.099764
6.467481
other
Y2Mg12Ga2
16
38
370.79
mp-1099286
-7.685747
-10.069932
6.53487
other
La1Mg6Co1
8
38
182.08
mp-1022583
-6.882587
-10.519118
6.334513
other
K1Mg6Zr1
8
38
209.63
mp-1026603
-6.687914
-11.403045
6.035261
other
Ba1Mg14B1
16
38
382.46
mp-1173643
10.345387
10.788978
3.304734
other
Nd22Ti32O96
150
38
1,920.68
mp-1028305
-6.857882
-11.039635
5.48179
other
K1Mg14Sn1
16
38
393.77
mp-1022474
-6.433141
-11.239827
5.689782
other
Cs1Mg6Ni1
8
38
259.15
mp-1026644
-7.165568
-10.978625
4.872519
other
Mg14Sn1Sb1
16
38
372.75
mp-777055
14.321395
12.87481
-1.312291
other
V10O15F5
30
38
330.8
mp-1021405
-8.195124
-11.324625
6.035549
other
Li2Mg12Mo2
16
38
320.74
mp-1017367
-8.298698
-11.58061
6.296017
other
Mg12Si2W2
16
38
305.63
mp-1016641
-8.2593
-11.223145
5.887187
other
Mg12Cd2Mo2
16
38
326.67
mp-1028101
-6.985933
-11.096357
5.772973
other
K1Mg14Mn1
16
38
379.57
mp-1099296
-6.941031
-10.756371
6.562502
other
Ba1Mg6Ti1
8
38
205.98
mp-1225432
-4.924585
-3.957703
6.181798
other
Dy2Fe1Si4
7
38
128.7
mp-1218064
-6.201198
-0.938396
4.389238
other
Ta4Al4Fe4
12
38
168.61
mp-1092256
-6.837031
-4.753285
4.116823
other
Yb2Ge6Pt1
9
38
188.15
mp-1028166
-7.126901
-10.605335
6.281017
other
Ca1Y1Mg14
16
38
397.38
mp-1022836
-7.829343
-9.477818
6.681251
other
La2Y2Mg12
16
38
425.88
mp-1022593
-6.878835
-11.056687
5.669044
other
Na2Mg12Zn2
16
38
361.62
mp-1016343
-6.174816
-10.982152
5.933062
other
Ba2Sr2Mg12
16
38
493.12
mp-1021364
-7.181824
-10.589448
6.759372
other
K2Mg12Nb2
16
38
377.53
mp-1021314
-7.296664
-11.312067
6.64395
other
Mg12Ti2B2
16
38
312.18
mp-1022205
-7.949655
-10.989559
5.792404
other
Mg12Cr2Fe2
16
38
311.42
mp-1220608
-5.339548
-4.54779
6.26258
other
Nd20Si9Ru3
32
38
846.87
mp-1219418
-7.94985
-4.133537
5.366762
other
Sc6Ga10Co2
18
38
304.84
mp-1017288
-6.934895
-10.942167
5.570694
other
Na2Mg12Ga2
16
38
364.45
mp-1023163
-6.684234
-10.829803
5.863249
other
Li2Ca2Mg12
16
38
397.39
mp-1028064
-7.821136
-10.498058
6.334593
other
Mg14Mn1Nb1
16
38
344.37
mp-1017152
-7.553355
-10.587453
5.714952
other
Hf2Mg12Bi2
16
38
372.58
mp-1028089
-6.848969
-11.147025
5.938861
other
Ba1Mg14Zn1
16
38
397.48
mp-1021297
-6.643321
-11.257968
5.171972
other
K2Mg12Sb2
16
38
422.75
mp-1222521
-5.66308
-3.506674
-1.189368
other
Lu1U1Te6
8
38
240.65
mp-1021905
-6.604083
-11.097491
5.809634
other
Sr1Mg6Ni1
8
38
199.76
mp-1222387
-7.481135
-0.979908
6.045782
other
Lu4Al4Fe4
12
38
206.58
mp-1022647
-7.021658
-11.235161
5.581573
other
Mg12Zn2Si2
16
38
324.8
mp-1016660
-8.407271
-10.515883
6.294182
other
Hf2Mg12Mo2
16
38
333.7
mp-1026494
-7.818665
-11.07446
5.741415
other
Mg14Cd1Mo1
16
38
342.19
mp-1026539
-7.816311
-10.49678
6.329964
other
Mg14Nb1Cr1
16
38
342.81
mp-1028061
-6.822248
-11.210426
5.832487
other
Rb1Mg14Zn1
16
38
394.64
mp-1219090
-8.081651
-5.518852
6.094888
other
Sm1Dy1Ni2
4
38
80.8
mp-1099090
-6.98459
-11.066751
5.941167
other
Ba1Mg14Fe1
16
38
376.64
mp-1026721
-7.990891
-10.618641
6.420981
other
Ce1Mg14Mo1
16
38
355.93
mp-1021418
-6.517853
-11.187421
5.474049
other
K2Mg12Sn2
16
38
421.65
mp-1026467
-8.235937
-10.753908
6.364546
other
Hf1Mg14W1
16
38
344.62
mp-2232651
6.09875
9.006058
-1.502369
other
Mg1Bi4O10
15
38
254.13
mp-1023501
-7.635135
-10.127896
6.581669
other
Y2Mg12Al2
16
38
374.06
mp-1021675
-7.63267
-11.254749
4.89941
other
Mg12V2Bi2
16
38
359.54
mp-1021342
-7.009074
-11.621675
5.836824
other
Li1Mg6C1
8
38
153.39
mp-1215277
-7.059299
-1.684634
5.318573
other
Zr4Mn4Al4
12
38
196.39
mp-1021692
-7.82955
-10.121626
6.466051
other
La2Mg12V2
16
38
390.5
mp-1219259
-6.053547
-0.582812
3.282592
other
Si2Ni6W4
12
38
147.49
mp-1023409
-6.260056
-11.282802
5.949584
other
Cs2Mg12Al2
16
38
456.14
mp-1218116
-6.039563
-1.974554
3.733914
original
Ta4Al4Ni4
12
38
169.5
mp-1224452
-5.835649
-2.361942
4.825653
other
Hf4Co4Si4
12
38
170.26
mp-754423
8.794888
15.484653
-1.520038
other
Mn8O12F4
24
38
255.73
mp-760341
12.092712
-0.750561
1.016006
other
Mn10O5F15
30
38
378.37
mp-3847
-2.835785
0.596487
2.565314
other
Dy1Co1C2
4
38
47.45
mp-1098253
-7.345482
-10.265195
6.56034
other
Na1Hf1Mg6
8
38
188.24
mp-1100159
-7.12228
-10.382702
6.57906
other
Sr1Hf1Mg6
8
38
204.77
mp-1235399
12.778525
9.873569
2.049311
other
Li1Ti3O4
8
38
88.71
mp-1224260
-5.672141
-2.294278
4.484165
other
Hf4V4Si4
12
38
190.62
mp-1215490
-5.442775
-3.326822
4.602603
other
Zr2Al1Si1
4
38
75.53
mp-1017036
-8.392749
-11.489795
5.346337
other
Mg12Bi2W2
16
38
339.18
mp-1217850
-6.212238
-1.265268
3.895121
other
Ta4V4Co4
12
38
166.14
mp-1224347
-4.699623
0.312909
3.014677
other
Hf1Nb1B2
4
38
48.65
mp-1223065
6.509049
8.867784
-1.317272
other
La1Bi3O8
12
38
165.57
mp-1224658
-7.74138
1.062932
4.988963
other
Ho4Fe34C2
40
38
519.91
mp-1028154
-7.412209
-10.948153
5.27236
other
Mg14Mn1Sn1
16
38
353.49
mp-1026522
-7.661445
-10.454264
6.210783
other
Mg14Nb1Cd1
16
38
350.77
mp-1028335
-7.35393
-11.280413
6.019598
other
Mg14V1C1
16
38
338.85
mp-1216089
-7.734469
-4.293298
5.966582
other
Y4Al4Ni4
12
38
210.85
mp-1028174
-7.176496
-10.932311
5.830898
other
Ca1Mg14Mn1
16
38
370.91
mp-1017072
-6.694965
-10.856619
6.65959
other
Cs2Mg12Nb2
16
38
413.14
mp-777540
14.269029
12.671547
-1.284468
other
V10O15F5
30
38
314.95
mp-760977
9.706406
1.02103
-0.530853
other
Ni6O2F10
18
38
204.1
mp-644497
8.626824
9.327758
0.87368
other
Ba1Ti1O3
5
38
111.54
mp-1017473
-8.410622
-10.802422
6.451429
other
La2Mg12W2
16
38
364.45
mp-1017387
-6.403662
-11.6299
6.149898
other
Rb1Mg6B1
8
38
207.99
mp-1028025
-6.939459
-10.76739
6.282032
other
Ba1Y1Mg14
16
38
411.85
mp-752739
5.274985
12.018297
-2.443443
other
Fe6O9F3
18
38
198
mp-1016598
-7.466374
-11.253753
6.731727
other
Mg12Nb2B2
16
38
314.7
mp-1221824
-7.383354
-1.351722
3.019294
other
Mn4Si3Ni5
12
38
144.9