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-1192966
9.266258
7.541621
-5.271642
other
Hg8P4O16
28
15
463.78
mp-1201286
6.890996
6.307718
-3.885215
other
La4Se6O48
58
15
1,029.61
mp-28072
11.012486
7.854265
1.854797
other
La4Be4O10
18
15
209.05
mp-1246673
1.23072
1.907662
1.444799
other
Ba6Ir4N8
18
15
340.58
mp-644445
1.237245
2.549884
-5.834955
other
Rb8Cd2Cl12
22
15
812.32
mp-8965
-3.586736
-1.542924
-5.601034
other
K4Sn4S10
18
15
483.5
mp-29626
-3.595811
-1.54713
-5.63481
other
Na8Sn6S16
30
15
731.43
mp-1212277
6.143974
4.97959
-4.262495
other
Li2N12O12
26
15
958.03
mp-1189054
-4.765358
-5.19269
0.417156
other
Sr6Ga4As8
18
15
487.59
mp-542152
12.15279
6.690256
-4.628839
other
P4Pb6O16
26
15
367.66
mp-677039
-5.076608
-4.968222
0.562873
other
Li10Ti2As6
18
15
332.55
mp-1200567
-4.571803
-2.483787
-3.37341
other
Cs8Hf6Se28
42
15
1,466.04
mp-1080210
8.293402
14.605462
-1.225487
other
Na4Mn12O24
40
15
455.48
mp-768923
13.630612
4.668259
-2.165056
other
Bi8B12O30
50
15
529.83
mp-1105809
-3.257612
-3.81802
-3.400123
other
Ce8Se6N4
18
15
437.56
mp-1237277
5.435686
-0.447367
-3.049513
other
Ca2B4H16
22
15
226.09
mp-1203659
10.324573
9.179823
-2.061243
other
Te20Pb4O44
68
15
1,125.51
mp-1246611
0.65005
2.40372
1.952938
other
Mn6Ga4N8
18
15
193.84
mp-778703
10.198576
0.836607
1.538106
other
Li8Mn6F20
34
15
477.02
mp-776264
10.097778
0.56881
0.38659
other
Li2Fe2F8
12
15
158.73
mp-770889
10.294377
10.559899
1.116822
other
La8W4O24
36
15
541.93
mp-1196396
-4.467186
-3.012816
-3.950145
other
Tl16Ge4Se16
36
15
1,134.32
mp-769971
11.44168
7.649731
0.397283
other
Ba2Ga8O14
24
15
363.52
mp-1105637
-4.881684
-5.15093
0.353264
other
Eu6Ga4As8
18
15
475.7
mp-17950
11.330113
11.172465
-2.442075
other
Nd4W6O24
34
15
516.76
mp-1043501
9.08321
8.137329
-3.289644
other
Fe2Ge4O12
18
15
239.2
mp-4400
2.875953
2.46426
1.762578
other
Si12N12O6
30
15
244.48
mp-1246130
1.906348
1.819835
1.497366
other
Ba6Sc4N8
18
15
378.19
mp-773505
9.219985
11.256788
-1.511244
other
Al4Cr2O10
16
15
150.79
mp-1246113
0.196257
2.395496
2.159598
other
Cr4Fe6N8
18
15
168.24
mp-27318
8.202466
2.195017
-0.945323
other
Sb6Br4F32
42
15
696.62
mp-541638
-2.975903
0.82797
-3.864986
other
K8Re12S24
44
15
968.36
mp-1385961
9.613908
0.54352
-0.269186
other
Mg2Co2F10
14
15
173.94
mp-727162
10.019074
7.477638
-6.098699
other
Mg8P8O32
48
15
643.36
mp-1019597
14.093838
4.568059
-2.09151
other
Ce8B28O54
90
15
915.61
mp-1191663
-5.062737
-1.592698
-2.14753
other
Te16Ru2Cl4
22
15
673.99
mp-759496
11.358033
11.117924
-2.440253
other
Na4W6O20
30
15
464.89
mp-15511
10.186001
9.38729
-1.948618
other
Ca2Te6O16
24
15
321.19
mp-1120792
-1.172251
2.611142
-2.720142
other
K6Bi4I18
28
15
1,307.5
mp-4718
10.545244
10.555067
3.357792
other
Nd2Ta2O8
12
15
159.25
mp-1246638
1.471407
1.888575
1.463038
other
Sr10Co4N12
26
15
441.25
mp-542514
10.512609
9.399456
-1.904708
other
Ho4Te8O22
34
15
485.43
mp-27994
6.95933
6.094865
-3.354133
other
Hg4Br4O12
20
15
350.45
mp-1180452
10.297682
12.332334
-3.707137
other
Lu2V2O8
12
15
139.12
mp-542139
13.859507
7.48878
-7.080977
other
Mn4P8O24
36
15
451.56
mp-1210909
8.577728
11.711187
-0.703883
other
Li6Ir6O12
24
15
244.44
mp-675723
8.443453
1.783699
0.465983
other
Nb2Hg4F12
18
15
349.31
mp-19243
11.501551
10.235048
-0.816868
other
V2Sb4O10
16
15
260.4
mp-1189643
7.68282
5.4261
-5.341908
other
Co2C4O12
18
15
235.81
mp-542769
8.387255
3.376831
-6.369415
other
Sn2C4O8
14
15
212.75
mp-603930
12.838279
6.649876
-0.654691
other
Mg4Si4O12
20
15
215.12
mp-541953
-5.817704
-3.217847
-1.696155
other
Rb8Zr6Te32
46
15
1,737.91
mp-1297800
6.718498
19.618877
-0.343388
other
Li10Mn6O16
32
15
286.65
mp-572598
-3.397419
-1.35639
-5.422777
other
Cs8Ge8S20
36
15
1,182.66
mp-1246049
2.243577
2.143515
1.619811
other
Zn6Ga4N8
18
15
219.83
mp-1190488
12.496161
7.429734
0.76278
other
Al8Cd2O14
24
15
292.24
mp-1246053
1.437374
1.938371
1.75208
other
Ba6Nb4N8
18
15
457.24
mp-1201137
7.255734
7.880572
-3.702638
other
Cr4P4O40
48
15
866.78
mp-25826
13.943114
8.212748
-6.135622
other
Fe8P6O24
38
15
457.54
mp-1247397
1.984139
2.405867
1.136306
other
In4Bi8N12
24
15
511.47
mp-760069
11.074051
3.559565
1.495917
other
V4O2F8
14
15
175.8
mp-1388089
8.827723
1.684268
1.23499
other
Mg2Sn2F10
14
15
216.88
mp-31829
9.093733
8.066822
-5.403539
other
Fe6P8O32
46
15
666.83
mp-1197311
8.368312
9.724003
-1.16988
other
Rb16Ta12O46
74
15
1,395.54
mp-570470
-0.998005
1.227493
-1.687051
other
Ce2Sm2I8
12
15
447.47
mp-9178
9.347411
7.081807
-3.454387
original
Cd2Se4O10
16
15
241.68
mp-1246404
0.986511
1.985122
1.639764
other
Ba6Ru4N8
18
15
334.38
mp-1385641
12.529411
11.864816
-0.666654
other
Al2V4O8
14
15
156.02
mp-29485
-0.16083
0.537735
-3.051459
other
Y16B4Br24
44
15
1,265.78
mp-768674
-4.621742
-2.464998
-3.328964
other
Cs8Zr6Se28
42
15
1,414.93
mp-1142992
12.628956
6.741395
-1.046203
other
Si4Sn2O12
18
15
218.74
mp-753032
10.646901
1.014637
1.65604
other
Li2Mn4F10
16
15
177.52
mp-1218843
-4.560209
-0.067687
-4.864018
other
Sr12V20S44
76
15
1,505.27
mp-571309
-1.056817
0.972876
-1.662745
other
Nd24C12I34
70
15
2,428.68
mp-1211067
-0.232338
0.6474
-3.255423
other
Li2Tm4Br10
16
15
468.66
mp-1178039
9.662285
9.102106
2.868551
other
Li4Ce2O6
12
15
148.78
mp-1276479
7.768677
12.365529
-0.997167
other
Na2Ni10O12
24
15
229.58
mp-1079335
-5.917606
1.006631
2.752693
other
Er2Ni4B4
10
15
117.61
mp-773900
-1.211147
1.932495
-1.800641
other
Ba2Ca4I12
18
15
840.88
mp-707293
9.283033
5.061819
-5.295397
other
H16S16O56
88
15
1,263.73
mp-1387656
9.434309
2.507635
1.612321
other
Mg2W2F10
14
15
187.85
mp-31020
7.944529
2.685356
-0.925785
other
As2I10F12
24
15
640.83
mp-28899
-1.143493
0.264955
-3.701718
other
Hg4As6Br2
12
15
314.49
mp-1245702
1.224153
1.973729
1.432808
other
Ca10Ir4N12
26
15
409.22
mp-11183
13.969841
4.22383
-2.037311
other
Pr2B6O12
20
15
205.8
mp-1247365
1.326634
2.008402
1.48933
other
Ca10Re4N12
26
15
416.99
mp-30333
-5.822913
1.020036
2.689856
other
Tb2Ni4B4
10
15
120.53
mp-753917
10.239896
9.315495
3.711988
other
Y4Hf2O10
16
15
231.07
mp-1194548
6.584311
0.237805
-3.351117
other
B40H44C8
92
15
971.69
mp-2951
11.620339
7.372231
-1.068599
other
Cd4Ge4O12
20
15
261.9
mp-1147621
-0.419958
1.167402
-4.364195
other
Li6In2Br12
20
15
504.93
mp-505014
-5.926716
-3.590418
-1.817827
other
Cs8Sn4Te14
26
15
1,255.35
mp-28079
-4.451783
-1.357726
-5.47686
other
Na8Mn8S12
28
15
609.9
mp-1180840
7.394665
6.133382
-4.3592
other
Na4B8O34
46
15
795.17
mp-1445001
9.266154
2.127242
1.500766
other
Mg2Mo2F10
14
15
202.67
mp-561028
7.829338
10.029589
-3.834217
other
K4Cr4O14
22
15
353.14
mp-675367
-4.126656
-0.068064
-3.903821
other
Nb6Ir2S16
24
15
500.34
mp-1221352
7.07155
8.409941
-0.993225
other
Na8Pr4O12
24
15
376
mp-755015
9.513434
8.484182
2.804085
other
Na4La4O8
16
15
266.61
mp-755043
12.959527
6.69532
-0.452874
other
Al4Si4O14
22
15
230.77