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-1220348
-5.495732
-2.614434
3.502977
other
Nb6Al1Ga1
8
200
140.63
mp-1220392
-5.644471
-2.484489
3.445082
other
Nb6Ge1Pt1
8
200
140.08
mp-1216443
-6.442684
-0.789881
3.740423
other
V6Fe1Ni1
8
200
99.24
mp-1205063
-5.303782
-1.716117
-3.068052
other
Ge12Ir8Se12
32
200
670.74
mp-1102977
11.482254
7.546891
-4.022412
other
Ga2As2O8
12
20
176.77
mp-569686
-0.87144
0.74025
-1.747148
other
La24C16I24
64
20
1,939.41
mp-548403
8.84288
3.589367
-7.106873
other
Ca2C2O6
10
20
104.75
mp-1103524
1.939373
2.695479
0.057467
other
K2Al2N8
12
20
257.26
mp-35248
8.635739
4.561459
-5.256312
other
Na4S2O6
12
20
200.35
mp-11321
10.455664
9.560523
3.28176
other
Y6Ta2O14
22
20
292.63
mp-31416
10.401253
9.375013
3.256912
other
Ho6Ta2O14
22
20
288.3
mp-997033
6.391667
5.94318
-3.762882
other
Au2Br2O4
8
20
177.72
mp-997092
6.389133
5.824363
-3.85807
other
Au2Cl2O4
8
20
169.48
mp-1224885
-7.754365
-1.890064
3.118951
other
Ga2Ni4Ge6
12
20
179.31
mp-30321
13.529128
5.568014
-6.874021
other
Y4P8O26
38
20
521.27
mp-1272458
12.617978
12.177641
0.203406
other
Nb4V4O16
24
20
309.66
mp-530464
-3.957779
-1.284689
-5.718226
other
Ag10Sn12S32
54
20
1,236.79
mp-997027
7.064937
6.27383
-3.820526
other
Au2O4F2
8
20
128.81
mp-752686
10.387917
9.459922
3.150683
other
Sm6Ta2O14
22
20
310.99
mp-866829
-3.338624
-1.703216
-5.731361
other
Ca4Sn2S8
14
20
349.39
mp-997011
6.316459
5.829588
-3.957123
other
Cu2Br2O4
8
20
153.56
mp-1004376
8.402131
14.910697
-0.927376
other
Na4Mn8O16
28
20
329.53
mp-1212828
10.303741
9.161852
2.702031
other
Er6Sb2O14
22
20
281.9
mp-752535
10.449275
10.187201
1.256048
other
Ta2In6O14
22
20
286.96
mp-1096984
9.028778
2.100078
-4.604357
other
H8C4O4
16
20
138.47
mp-30957
13.272301
5.967762
-6.835971
other
Pr2P6O18
26
20
354.24
mp-755277
10.030063
9.178475
2.574364
other
Tb6Sb2O14
22
20
302.4
mp-1280914
8.924013
12.276124
-1.362905
other
Mn4Sb4O16
24
20
313.05
mp-997035
7.248589
4.676589
-2.834844
other
Cu2O4F2
8
20
104.66
mp-1104429
3.379719
-0.749419
-2.406834
other
Mg2Al2H10
14
20
125.32
mp-1196811
8.837529
10.915529
-3.9314
other
Na10V6O24
40
20
598.88
mp-769483
8.628567
12.497931
-0.320478
other
Li22Co4O16
42
20
404.51
mp-27167
8.861955
2.340123
1.146779
other
Sn4I2F6
12
20
288.74
mp-778386
10.47114
7.939093
-6.973736
other
Ni14P16O56
86
20
973.46
mp-559975
6.712091
12.102404
1.34402
other
Sr4Mn4O12
20
20
246.82
mp-1206302
-5.894605
-4.948608
1.112471
other
La2Ga2Sb4
8
20
225.75
mp-1212301
9.98146
9.128407
2.684769
other
Ho6Sb2O14
22
20
296.12
mp-997020
6.415687
5.871205
-3.961699
other
Cu2Cl2O4
8
20
140.66
mp-553932
13.106771
6.044005
-6.718478
other
Ga2P2O8
12
20
167.79
mp-4051
13.72012
5.50759
-6.868654
other
Al2P2O8
12
20
173.46
mp-1215059
-0.570929
0.638371
-2.186225
other
Ce24C16Br24
64
20
1,608.94
mp-1207581
7.320517
8.770259
-1.982889
other
Yb6Sb2O14
22
20
297.08
mp-1191597
9.721219
9.120166
2.522312
other
Sm6Sb2O14
22
20
317.07
mp-1176698
10.39626
1.946259
2.204036
other
Li2Fe2F6
10
20
108.89
mp-1207835
10.168535
9.197556
2.625342
other
Tm6Sb2O14
22
20
278.09
mp-7264
13.32033
5.956286
-6.741532
other
Nd2P6O18
26
20
349.15
mp-767398
10.161547
8.62237
1.747759
other
Gd6As2O14
22
20
291.89
mp-26708
14.072938
8.711408
-6.78616
other
V6P12O40
58
20
848.47
mp-558969
10.814033
9.955001
2.069308
other
Ho6Re2O14
22
20
291.45
mp-1212841
9.911025
9.119246
2.526457
other
Dy6Sb2O14
22
20
298.22
mp-555857
-3.435031
-0.88603
-5.174066
other
Ba2V2S6
10
20
225.71
mp-1301572
8.876471
14.825613
-0.339639
other
Mg2Mn4O8
14
20
146.4
mp-676712
-2.531242
0.699575
-3.517814
other
Re12Se12Cl12
36
20
959.81
mp-769809
10.192151
9.461014
3.206408
other
Gd6Ta2O14
22
20
303.51
mp-770376
11.022349
8.128269
-7.761236
other
Mn4P8O26
38
20
474.6
mp-29994
-0.426437
0.603167
-2.545247
other
La24C16Br24
64
20
1,752.5
mp-1284893
5.962701
11.080534
-1.835134
other
Ti4Fe4O16
24
20
280.62
mp-772787
13.550504
5.615649
-6.809216
other
Gd4P8O26
38
20
537.3
mp-1173011
9.053637
2.497245
1.752305
other
K2Nb6F18
26
20
458.28
mp-1191990
10.857943
10.145542
1.99098
other
Dy6Re2O14
22
20
292.54
mp-559288
13.314486
6.077096
-6.854347
other
Gd2P6O18
26
20
336
mp-1103566
-5.266586
-6.322991
0.853809
other
K8Zn2Bi4
14
20
578.36
mp-26542
12.710255
6.903177
-6.74029
other
Sb4P16O48
68
20
1,005.59
mp-974267
8.640734
1.245771
-3.888437
other
K2H16N6
24
20
220.25
mp-1276433
11.808054
13.282813
-1.822768
other
Ti4V4O16
24
20
279.96
mp-1208698
13.295359
5.988504
-6.828684
other
Sm2P6O18
26
20
340.35
mp-755898
10.590867
9.330778
3.228341
other
Er6Ta2O14
22
20
284.29
mp-25906
10.780145
7.363047
-6.508046
other
Bi4P16O48
68
20
1,076.47
mp-754415
10.332206
9.451118
3.318264
other
Tb6Nb2O14
22
20
297.86
mp-997028
6.891774
6.368608
-3.702621
other
Ag2O4F2
8
20
125.43
mp-773145
7.732643
9.930152
-3.911964
other
Li4Cr8O26
38
20
631.64
mp-10393
-5.943574
-4.90348
1.128205
other
Sm2Ga2Sb4
8
20
212.79
mp-1101314
10.409925
9.444648
3.244592
other
Tb6Ta2O14
22
20
295.5
mp-1178333
10.466319
11.290165
-1.915265
other
Gd8W8O36
52
20
677.98
mp-767063
13.868258
6.977443
-5.669248
other
Sn4P8O24
36
20
638.15
mp-780255
10.122276
9.445317
3.294353
other
Gd6Nb2O14
22
20
305.82
mp-1189357
-0.431197
1.505797
-4.737586
other
Cs6Li2Br8
16
20
692.93
mp-756591
10.27828
9.440238
3.272208
other
Sm6Nb2O14
22
20
313.43
mp-1200903
7.981985
4.857838
-6.333876
other
Y4C8O24
36
20
571.44
mp-772232
13.594681
5.638575
-6.901346
other
Tm4P8O26
38
20
504.18
mp-772441
10.38065
11.382393
-2.04284
other
Y8W8O36
52
20
666.56
mp-546079
8.675533
3.658213
-7.158995
other
Mg2C2O6
10
20
90.77
mp-779637
13.645586
5.536398
-6.848186
other
Ho4P8O26
38
20
514.96
mp-29368
10.530134
10.299159
3.380231
other
Th8Ta8O36
52
20
685.27
mp-1227347
-4.026108
-5.326097
5.439389
other
Ba2Sr2Si8
12
20
296.09
mp-20797
-2.752779
-2.692729
-5.582584
other
Yb2Nd4S8
14
20
398.08
mp-558125
9.704244
10.701973
3.270111
other
Ba6Ti6O18
30
20
402.92
mp-759861
9.405518
7.553708
-5.284224
other
Yb4P8O26
38
20
557.19
mp-640836
10.563541
11.069179
3.289475
other
Ca32Ta32O112
176
20
2,333.57
mp-1210508
10.154778
9.236395
2.567153
other
Lu6Sb2O14
22
20
272
mp-778008
12.973073
7.915592
-7.907934
other
Mn14P16O56
86
20
1,035.3
mp-26568
9.713429
7.920027
-6.322514
other
Co6P12O40
58
20
833.5
mp-650224
13.585854
8.016238
-6.60887
other
Fe14P16O56
86
20
1,011.69
mp-771240
13.603547
5.452971
-6.88056
other
La4P8O26
38
20
583.22
mp-755404
9.656404
9.074286
2.38011
other
Gd6Sb2O14
22
20
308.74
mp-25884
10.545692
8.002204
-6.972361
other
Fe6P12O40
58
20
855.44
mp-755652
10.398043
9.436958
3.290335
other
Dy6Ta2O14
22
20
291.77
mp-1213012
11.727161
6.992489
-7.003833
other
Eu2P6O18
26
20
342.59
mp-9646
13.260485
5.874398
-6.885329
other
La2P6O18
26
20
361.96
mp-769931
10.488889
9.37365
3.25722
other
Tm6Ta2O14
22
20
280.62