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-1216307
-6.399626
-1.031281
3.66613
other
V4Si4Ni4
12
38
143.16
mp-1022684
-7.227368
-10.888646
6.664506
other
Y1Mg6C1
8
38
170.87
mp-1026707
-7.139144
-11.093541
5.457762
other
Mg14Cd1Si1
16
38
355.1
mp-1028105
-7.558649
-10.440331
6.323978
other
La1Mg14Mn1
16
38
379.56
mp-1022844
-7.383488
-10.338322
5.994306
other
Y2Mg12Sn2
16
38
385.79
mp-1022110
-7.230515
-11.130297
5.390326
other
Li2Mg12Cu2
16
38
324.42
mp-4248
-2.865068
0.600859
2.577557
other
Y1Co1C2
4
38
47.73
mp-645300
8.161863
4.469388
-6.252034
other
Rb4C1O4
9
38
167.05
mp-1023074
-7.780468
-10.289638
6.675582
other
Y2Mg12Mn2
16
38
370.25
mp-1023279
-6.828261
-11.549801
5.91696
other
Mg12Al2B2
16
38
308.65
mp-1026804
-7.19524
-10.541072
6.234299
other
Na1Ce1Mg14
16
38
390.68
mp-1017451
-7.512874
-10.707908
6.513344
other
Mg12Nb2Si2
16
38
319.61
mp-1021694
-7.476609
-11.242864
5.917381
other
Mg12V2Si2
16
38
316.72
mp-1220117
-5.680274
-3.584675
-1.198257
other
Nd1U1Te6
8
38
255.32
mp-1021760
-7.478136
-10.974491
5.092442
other
Mg12Cd2Ni2
16
38
321.04
mp-764163
5.574291
10.54635
-2.128738
other
Li3Fe1O4
8
38
70.05
mp-1028145
-7.286103
-10.571226
6.317894
other
Ca1Hf1Mg14
16
38
379.07
mp-1095630
8.382227
7.614327
-4.516265
other
Cs2P2O8
12
38
297.65
mp-1026566
-7.063852
-11.437622
5.671257
other
Mg14Cd1B1
16
38
343.36
mp-1021411
-7.334558
-10.254502
5.968187
other
La2Mg12Sn2
16
38
411.03
mp-1026582
-7.397098
-11.190208
6.133805
other
Sr1Mg14Mo1
16
38
376.97
mp-1022094
-7.164725
-11.110738
5.585658
other
Mg12Si2Ni2
16
38
299.79
mp-1022459
-7.409483
-10.435698
6.425353
other
Mg12Zr2Si2
16
38
335.56
mp-1021721
-6.975241
-11.011936
5.528947
other
Na2Mg12Ni2
16
38
338.43
mp-1026611
-6.604734
-11.508808
6.051948
other
Cs1Mg14B1
16
38
391.05
mp-1224560
-5.959217
-2.667483
4.103654
other
Hf16Ge2Mo10
28
38
554.85
mp-1215305
-7.191232
-1.185063
4.525922
other
Zr4Cr4Co4
12
38
173.87
mp-1217082
-5.205077
0.412343
3.302568
other
Ti3B4Mo3
10
38
114.21
mp-1022642
-7.210166
-11.230117
4.588938
other
Mg12Zn2Sb2
16
38
353.85
mp-1098186
-7.095544
-11.368207
5.232504
other
Mg14Bi1C1
16
38
378.28
mp-1023481
-7.617268
-10.760877
5.631418
other
Mg12Mn2Al2
16
38
325.61
mp-1026841
-6.997683
-10.962647
5.571568
other
Na1Li1Mg14
16
38
371.49
mp-1022513
-7.805555
-10.226414
6.408052
other
Mg12Zr2Co2
16
38
327.12
mp-1225757
-8.008504
-6.130704
5.974239
other
Er10Ga4As2
16
38
397.09
mp-1028196
-6.638401
-11.03747
5.982669
other
Rb1Ca1Mg14
16
38
417.8
mp-1026762
-7.411686
-10.428818
6.144687
other
La1Mg14Ga1
16
38
379.84
mp-27376
12.975487
6.288476
-0.663358
other
Rb6Si10O23
39
38
612.97
mp-1022626
-7.594676
-11.007121
5.297735
other
Mg12Zn2Ni2
16
38
304.52
mp-1021972
-7.313544
-11.313107
4.421369
other
Mg12Ni2Bi2
16
38
344.53
mp-764913
8.797247
15.494065
-1.523648
other
Mn10O15F5
30
38
318.5
mp-1099092
-7.046882
-11.042431
5.913511
other
Sr1Mg14Fe1
16
38
374.78
mp-1023145
-7.682718
-11.000424
5.385053
other
Mg12Mn2Zn2
16
38
323.7
mp-1215262
-5.380054
-3.242633
4.202121
other
Zr4Nb4Si4
12
38
219.83
mp-1026586
-6.882755
-10.831839
6.273942
other
Cs1Hf1Mg14
16
38
399.11
mp-1206221
-7.030951
-4.362929
4.940085
other
Dy2Ge6Pd1
9
38
183.17
mp-999190
-2.850477
0.61869
2.572496
other
Sm1Co1C2
4
38
50.31
mp-1022026
-6.498555
-11.161905
5.76805
other
Ba1Mg6Ni1
8
38
209.09
mp-1022981
-7.764987
-10.106724
6.578041
other
La2Mg12Mn2
16
38
388.73
mp-1099335
-6.401816
-11.300138
6.065475
other
Ba1Mg6Si1
8
38
216.21
mp-1120725
-0.271073
1.399485
-4.598113
other
Cs2Pb2Br6
10
38
407.63
mp-1246274
1.697766
2.156961
1.100261
other
Na1Cu1N1
3
38
39.93
mp-754194
5.136273
11.330797
-2.287018
other
Fe4O7F1
12
38
127.86
mp-755097
13.298854
0.467669
1.441997
other
Fe6O5F7
18
38
212
mp-1026897
-7.304969
-10.998583
5.285027
other
Mg14Ga1Cu1
16
38
343.53
mp-1026410
-7.393444
-10.93766
5.333512
other
Mg14Cr1Sn1
16
38
357.74
mp-1022055
-6.511277
-11.186284
5.796442
other
Ba2Mg12Ni2
16
38
412.53
mp-1220309
-7.581486
-5.235501
3.709422
other
Nd2Sn4Rh1
7
38
184.53
mp-1022116
-6.971376
-11.468728
5.531945
other
Mg6Cu1B1
8
38
148.82
mp-1215315
-7.398436
-1.223897
4.200085
other
Zr4Mn4Ni4
12
38
171.39
mp-756017
11.134214
0.247514
1.6824
other
Mn6O1F11
18
38
240.53
mp-1016377
-6.619743
-10.773146
6.416264
other
Cs1Hf1Mg6
8
38
223.97
mp-1017482
-7.48242
-10.24969
6.499695
other
Li2Hf2Mg12
16
38
354.12
mp-754507
9.509459
0.935743
-0.365934
other
Ni6O1F11
18
38
205.83
mp-1207026
-7.157555
-4.262393
4.921677
other
Y2Ge6Pt1
9
38
181.07
mp-1017053
-6.950415
-11.592544
5.773388
other
Mg12Cd2B2
16
38
326.39
mp-1220349
-5.153468
0.248881
3.27246
other
Nb1B2W1
4
38
43.66
mp-759484
6.293328
13.070318
-2.741746
other
Co10O15F5
30
38
300.77
mp-1022964
-7.597782
-10.182033
6.541268
other
Y2Mg12Cu2
16
38
361.66
mp-1028324
-8.149677
-11.041162
6.03293
other
Mg14V1Mo1
16
38
332.23
mp-1224615
-8.151901
-5.516166
5.912632
other
Gd1Dy1Ni2
4
38
79.83
mp-1026617
-6.976977
-10.788663
6.247141
other
Rb1Hf1Mg14
16
38
394.04
mp-1219117
-8.087204
-0.094163
5.62769
other
Sm4Fe4Cu4
12
38
208.05
mp-1028333
-6.724969
-11.103091
5.637594
other
Cs1Mg14Sn1
16
38
408.81
mp-1022515
-7.791121
-10.188084
6.39785
other
Mg12Zr2Co2
16
38
321.61
mp-2218845
12.624706
12.970867
-1.237513
other
Mg1V4O8
13
38
157.12
mp-1017442
-6.41917
-11.300073
6.055341
other
Ba2Mg12Si2
16
38
430.06
mp-1022926
-7.42522
-11.069726
4.858593
other
Mg12Mn2Sb2
16
38
344.61
mp-1021362
-7.661332
-10.70154
5.583132
other
Mg12Ti2Bi2
16
38
361.06
mp-1021301
-6.771818
-11.1046
5.80611
other
K2Mg12Cr2
16
38
405.16
mp-1023281
-7.13874
-10.872199
4.703588
other
Mg12Al2Sb2
16
38
347.32
mp-1028261
-7.756815
-10.423275
6.49776
other
Ce1Mg14Mn1
16
38
357.91
mp-1219141
-7.697567
-4.439618
6.073778
other
Sm4Al4Ni4
12
38
217.94
mp-1224451
-5.20596
-3.616754
5.155751
other
Hf5Sc5Si6
16
38
307.42
mp-756820
5.184247
11.59516
-2.343782
other
Fe6O10F2
18
38
194.02
mp-1225699
-5.669681
-3.50804
-1.197562
other
Er1U1Te6
8
38
248
mp-1219393
-8.043586
-2.931682
5.168353
other
Sc4Al4Co4
12
38
186.58
mp-1022201
-7.737889
-10.625275
5.329246
other
Mg12Co2Ni2
16
38
282.05
mp-1022960
-8.672585
-11.295918
6.206875
other
Mg12Mn2W2
16
38
307.98
mp-1100157
-6.787486
-11.790765
6.058525
other
Mg6B1C1
8
38
151.45
mp-755164
8.395363
14.64503
-1.749563
other
Mn6O11F1
18
38
182.76
mp-1021406
-6.364651
-11.561047
6.072267
other
K2Mg12B2
16
38
402.52
mp-1100156
-6.57999
-11.342653
5.299605
other
Rb1Mg6Sb1
8
38
224.67
mp-1028347
-7.70928
-10.88172
5.672556
other
Mg14Cr1Ni1
16
38
334.07
mp-1023397
-7.675362
-10.318916
6.444407
other
Mg12Ti2Al2
16
38
331.29
mp-1027871
-7.433495
-11.032269
5.325486
other
Mg14Cu1Ni1
16
38
332.7
mp-5777
9.608112
10.638902
3.244741
other
Ba1Ti1O3
5
38
65.57
mp-2218893
12.410606
11.70974
1.907577
other
Mg1Ti4O8
13
38
157.52
mp-1220415
-5.463649
-0.19209
3.328716
other
Ni4W22C8
34
38
455.03
mp-1026530
-7.386648
-10.801264
6.352958
other
Mg14Nb1C1
16
38
330.69
mp-1215326
-7.841032
-3.513221
4.722044
other
Zr4Al4Rh4
12
38
205.48