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-675423
7.819861
5.385501
-1.883561
other
Sr3Cr2O7
12
12
285.79
mp-758143
7.020053
13.204963
-1.129412
other
Li9Ni15O24
48
12
423.06
mp-1206347
-7.494794
-5.565578
3.835029
other
La4Co2Sn5
11
12
291.78
mp-1215632
-5.958751
-3.6239
-2.14249
other
Yb1Te4Pb3
8
12
278.33
mp-648006
-8.152059
-5.031958
3.970238
other
Tb4In20Ni11
35
12
663.91
mp-1175418
4.745449
18.835705
-1.761125
other
Li9Co7O16
32
12
272.63
mp-757365
10.662878
11.47284
3.300187
other
La2Ta6O18
26
12
367.08
mp-1094043
-3.94223
-0.184211
-4.369674
other
Ti5In1S8
14
12
262.95
mp-625811
11.007415
6.3124
-4.770611
other
V3H4O8
15
12
191.36
mp-1175347
6.882695
19.717453
-0.227077
other
Li14Mn10O24
48
12
443.97
mp-1245491
5.395222
2.153609
-3.024477
other
Os2C3N6
11
12
144.47
mp-1216258
-7.731383
1.071547
5.009509
other
Y2Fe17C1
20
12
262.65
mp-753472
11.034976
11.698988
2.600104
other
Nb4Al4O16
24
12
293.73
mp-675397
10.116909
12.678912
-0.385493
other
Na4Fe8O12
24
12
261.9
mp-1207623
7.695211
9.669143
-1.138246
other
Yb5Re2O12
19
12
257.76
mp-760237
13.151081
12.662943
-0.664356
other
Na1V5O8
14
12
155.14
mp-1179515
-2.485201
0.433209
2.325202
other
Sc6Ru2C8
16
12
185.36
mp-31024
0.703281
1.052554
-3.777281
other
Sc5C1Cl8
14
12
295.26
mp-1247229
0.29248
2.53255
1.95287
other
Mn2Co9N8
19
12
169.88
mp-1309364
10.322503
12.924382
-0.364055
other
Li2Fe4O6
12
12
119.63
mp-673874
-3.170612
-2.03845
-5.330872
other
Ba9Nd2S12
23
12
757.63
mp-1100496
7.071791
19.617645
-0.127131
other
Li9Mn7O16
32
12
300.08
mp-759333
11.630646
12.081678
2.05214
other
Na7Ti11O24
42
12
505.93
mp-2225977
-4.717792
0.233173
-4.747261
other
Mg1V2S4
7
12
151.68
mp-1239116
8.528293
1.745631
1.398003
other
Ba3Ru1F6
10
12
262.19
mp-662572
1.396931
2.421818
-4.002131
other
Ta6In4Cl18
28
12
729.29
mp-1078104
-5.670136
-1.6692
-2.840475
other
Fe2Co1Se4
7
12
114.81
mp-557757
13.805843
5.50075
-6.589537
other
Al12P12O48
72
12
1,489.01
mp-3194
-5.01591
-4.191008
6.391622
other
Tb2Al3Si2
7
12
133.41
mp-1280748
10.683529
11.896565
0.208738
other
Y2Fe4O8
14
12
183.11
mp-1213787
7.744622
3.513406
-1.679021
other
Cl4O8F8
20
12
331.73
mp-756597
10.034906
11.244617
2.447804
other
Li4Hf2O6
12
12
124.67
mp-8065
10.669908
12.302157
2.279884
other
K2Ti6O13
21
12
267.29
mp-1194247
-4.915358
-5.122596
0.43817
other
Eu11Zn6As12
29
12
712.95
mp-1079602
2.727579
2.793236
-3.702322
other
Cu1I4N4
9
12
224.43
mp-1197519
1.148239
3.265176
-5.000641
other
P2W8Cl22
32
12
795.54
mp-1245721
1.426168
1.929946
1.874894
other
Ta4Te4N4
12
12
274.02
mp-1106085
-4.156507
-0.035399
-3.892655
other
Nb4Pd2S10
16
12
309.83
mp-541709
-0.771072
0.878167
-3.742069
other
Nb6Tl4Br18
28
12
848.62
mp-1246444
5.06655
2.174455
-3.071306
other
Ir2C3N6
11
12
136.02
mp-1232849
-5.438235
-4.190897
0.565099
other
Ba2Mn4As4
10
12
226.88
mp-545487
7.03943
3.237603
-4.664738
other
Cs2C4O4
10
12
200.14
mp-1215716
8.213702
12.157577
-0.807682
other
Zn1Ni4O5
10
12
95.78
mp-23440
-0.830535
1.075459
-1.712124
other
Y6C2I7
15
12
456.45
mp-1247557
1.512661
1.960213
2.139695
other
Mg4Nb2N6
12
12
128.35
mp-1223980
-7.749609
-3.412692
4.998242
other
Ho2Ni2Ge2
6
12
107.4
mp-2214451
12.751811
11.345052
-1.496197
other
Sc1Mo3O8
12
12
148.72
mp-1214772
8.617961
6.766827
-3.757608
other
Cs3Se2O8
13
12
266.91
mp-1217535
-8.171647
-4.562699
5.545883
other
Tb2Ga2Ni2
6
12
108.56
mp-1042571
12.836669
10.171672
0.363611
other
Mg2W4O8
14
12
192.47
mp-1227654
11.831613
11.815991
2.126448
other
Ba2Ti12O24
38
12
458.65
mp-1104453
-4.733079
-5.235046
0.496305
other
Ba4Cd4As6
14
12
412.59
mp-1408692
0.840173
2.509409
1.765801
other
Zn4Fe2N4
10
12
124.79
mp-1223273
-2.191273
0.47118
2.42258
other
La1Y2C6
9
12
135.65
mp-996953
9.007248
6.535528
-4.420119
other
Cu1H1O2
4
12
36.34
mp-1285188
8.603481
14.822169
-0.955271
other
Ca2Mn14O24
40
12
422.16
mp-861245
8.733522
0.957486
-0.393446
other
Li1Ag1F4
6
12
72.34
mp-1175379
4.40023
19.220535
-1.816928
other
Li9Co7O16
32
12
281.48
mp-989636
0.727175
2.432433
1.859555
other
Ba2W2N6
10
12
173.68
mp-7693
8.697817
1.255942
1.934343
other
Ba1Tm2F8
11
12
148.07
mp-1211074
8.425968
11.094062
-0.547521
other
Li3Pt3O6
12
12
130.2
mp-754495
12.081693
11.185636
3.108774
other
Nb4N4O4
12
12
167.97
mp-2214791
11.990193
11.219582
-2.221136
other
Cu3Mo4O12
19
12
218.71
mp-1213853
-2.691434
-2.797722
-5.317351
other
Ce4Er11S22
37
12
873.77
mp-1207865
-3.016503
-0.690271
-5.527198
other
V1B2S4
7
12
109.08
mp-676273
11.356914
8.143224
2.797575
other
Pr2Sb1O2
5
12
109.72
mp-11185
-6.539777
-3.706687
0.734308
other
Sm3Sb4Pt7
14
12
288.65
mp-1373566
10.522512
11.681515
3.249888
other
La2Nb6O18
26
12
381.95
mp-673761
7.237445
9.982774
0.145643
other
Gd5Ru2O14
21
12
300.14
mp-1045725
11.01366
9.275789
0.220802
other
Mg2Sn9O13
24
12
387.14
mp-779352
8.774675
15.456706
-1.522895
other
Mn8O12F4
24
12
253.4
mp-1212374
8.254793
1.693988
-0.532117
other
K3Ru1F12
16
12
408.7
mp-31075
-0.882378
0.945455
-4.753684
other
Hg12Se8Br8
28
12
848.55
mp-1225220
-7.425285
-6.775299
3.494156
other
Eu2Ga2Ag2
6
12
144.03
mp-1212953
7.349711
9.226649
0.073355
other
Eu4Hg2O8
14
12
222.2
mp-1245508
0.047935
2.564081
2.036316
other
Cr2Fe9N8
19
12
177.28
mp-2219135
12.725146
12.946881
-1.232455
other
Mg1V4O8
13
12
144.74
mp-762412
8.353128
15.83176
-0.550564
other
Li4Mn6O12
22
12
227.49
mp-755310
5.928575
12.363965
-2.457208
other
Fe6O8F4
18
12
202.17
mp-1222566
1.580309
2.160303
1.501945
other
Li9Mn3N4
16
12
185.27
mp-1223439
10.708637
7.157693
-5.409257
other
K2P2O6
10
12
201.79
mp-30221
-3.445114
-4.351892
0.834019
other
Ba10P10I6
26
12
950.82
mp-540640
11.799986
11.725142
2.213942
other
Sr2Ti6O13
21
12
258.13
mp-759819
8.250273
14.67139
-1.066275
other
Li13Mn17O40
70
12
705.52
mp-754651
8.835235
13.040719
-1.026371
other
Fe7Ni6O16
29
12
305.09
mp-1179384
-8.12309
-5.138629
4.041206
other
Y4In20Ni11
35
12
680.17
mp-1192194
-2.487398
0.30114
2.38131
other
Ho8Rh5C12
25
12
363.64
mp-1174331
4.093489
19.620455
-1.830137
other
Li8Co6O14
28
12
249.64
mp-1025235
-5.618901
-1.469178
-2.940921
other
Fe1Co2Se4
7
12
116.51
mp-1412364
5.483192
11.12134
-2.02737
other
Zn2Fe3O8
13
12
142.84
mp-1105123
-6.682224
-3.853913
1.098573
other
Si4Bi4Rh6
14
12
270.5
mp-1181729
3.439285
-0.688529
-2.497565
other
Eu4Mg6H20
30
12
333.78
mp-1216128
-8.216975
-4.73853
4.854318
other
Y3Ga7Cu4
14
12
239.43
mp-1101425
9.692375
1.033262
-0.536113
other
Ni6O2F10
18
12
205.15
mp-1210731
8.653654
9.806623
-3.736211
other
Mn1Re2O10
13
12
222.11
mp-685995
10.902949
11.602688
2.914678
other
Ta12Pb8O38
58
12
905.18
mp-779287
9.313673
8.73515
2.585917
other
La4Hg2O8
14
12
246.99
mp-1245405
1.584429
1.823941
1.395697
other
Ca7Mn2N6
15
12
244.03
mp-775130
8.375752
13.835003
-0.996716
other
Li4Cr2O6
12
12
106.31
mp-1225257
-7.72653
-2.796622
4.951639
other
Ga40Mo8S1
49
12
915