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-625258
10.523543
8.280343
-4.985195
other
V6H6O18
30
4
335.22
mp-625142
10.098294
5.838193
-4.265202
other
Re4H8O18
30
4
364.64
mp-1208269
8.376708
1.281396
1.362317
other
Tb2Zr2F14
18
4
276.69
mp-1207615
8.47835
1.318745
1.372043
other
Y2Hf2F14
18
4
270.98
mp-1199693
7.516243
7.689312
-3.793071
other
Al16S4O72
92
4
1,514.55
mp-763903
10.316581
2.501331
0.048966
other
V6O2F22
30
4
377.98
mp-625179
10.434768
3.900412
-4.272814
other
Cu2H4O4
10
4
84.7
mp-1100842
12.489419
12.159531
-1.734172
other
Yb2V8O16
26
4
336.77
mp-22499
8.634274
1.270984
0.470405
other
Eu2Sn2F14
18
4
280.65
mp-1197396
9.490932
10.481262
-1.802533
other
Ni12Te8O32
52
4
711.72
mp-573888
1.109942
1.621941
-5.152064
other
Ba8Sc4Cl28
40
4
1,175.71
mp-767407
-5.24534
-3.969571
-2.688357
other
Li20Sb4S4
28
4
495.05
mp-759110
10.035147
14.976466
-1.507479
other
Mn6O8F4
18
4
196.74
mp-728897
8.019011
7.854813
-4.14809
other
K8P8O32
48
4
846.47
mp-31744
10.034353
8.232866
-6.49368
other
Cr6P8O32
46
4
598.99
mp-625238
10.081747
5.714612
-4.224411
other
Re4H8O18
30
4
387.61
mp-1193829
8.160826
2.106821
-0.773631
other
Sb4Xe2F24
30
4
517.43
mp-759477
10.777645
0.056792
0.738887
other
Li8Mn8F28
44
4
497.9
mp-765733
8.462336
14.840108
-1.742912
other
Mn8O14F2
24
4
244.3
mp-626392
7.447917
4.703068
-4.5446
other
H12N8O18
38
4
438.91
mp-764883
5.151925
11.372021
-2.293662
other
Fe8O14F2
24
4
258.5
mp-1213868
6.46209
6.118124
-4.502532
other
Co4N2O12
18
4
220.05
mp-780508
5.439504
12.265977
-2.464245
other
Fe10O14F6
30
4
330.37
mp-781080
7.687967
6.839608
-1.563289
other
Fe8O10F6
24
4
271.66
mp-1180535
7.049572
6.621152
-4.23303
other
Na4Si2O18
24
4
389.88
mp-1225777
-2.987181
-2.305198
-5.724536
other
Er4Ge4S14
22
4
501.21
mp-849493
10.394339
1.593137
2.149546
other
Li4Fe2F8
14
4
156.1
mp-567594
-1.2072
3.003056
-3.097303
other
Cs4Hg2I8
14
4
745.16
mp-756011
5.228362
11.793289
-2.379357
other
Fe10O16F4
30
4
327.48
mp-1097902
8.38808
15.485831
-0.687856
other
Li12Mn16O32
60
4
647.84
mp-1105145
6.571144
6.220908
-4.544802
other
Sm2N2O10
14
4
199.94
mp-1202168
9.819625
7.314635
-5.596049
other
Th4P6O26
36
4
522.83
mp-32028
11.064398
8.057933
-7.469862
other
Mn2P8O24
34
4
488.78
mp-754920
8.459278
1.216969
1.910039
other
Ba4Y4F20
28
4
459.62
mp-768695
10.157923
10.424613
3.361269
other
Ho8Ti8O28
44
4
508.87
mp-504324
10.611961
7.461232
-6.477986
other
Bi2P8O24
34
4
502.85
mp-1227014
-4.852129
-2.817779
-4.015592
other
Cd4Ga4Se10
18
4
499
mp-625652
10.269254
3.089982
-3.961857
other
H36Br4O16
56
4
584.94
mp-1178611
8.657311
7.271111
-5.058835
other
Zr2P4O20
26
4
454.35
mp-1225207
-7.282453
0.736817
3.581775
other
Fe6Co6B4
16
4
154.89
mp-768786
-1.236959
1.943158
-1.740445
other
Ba4Y4I20
28
4
1,314.32
mp-1177185
6.04651
12.343457
-1.50043
other
Li10Fe6O16
32
4
292.3
mp-1210837
8.566031
1.26349
1.409744
other
Lu2Hf2F14
18
4
256.57
mp-26982
10.295527
8.348487
-7.253572
other
Mn2P4O14
20
4
236.42
mp-1208876
8.406071
1.335405
1.442738
other
Sm2Hf2F14
18
4
284.35
mp-1181419
7.585359
4.601118
-4.600182
other
H12N8O18
38
4
450.55
mp-23360
7.602173
6.611748
-3.065334
other
Zn2I4O12
18
4
263.77
mp-26996
9.004734
7.93169
-5.582317
other
Co2P4O14
20
4
269.33
mp-1216973
-7.061064
-4.626925
5.603256
other
Tm14Mg6Ge16
36
4
782.3
mp-772114
-1.233254
1.890264
-1.649992
other
Ba4La4I20
28
4
1,335.59
mp-26008
8.673904
7.868484
-5.055518
other
Ni2P4O14
20
4
271.68
mp-557525
10.461763
10.677795
-3.840052
other
Li12Mo24O78
114
4
1,602.31
mp-728452
7.726835
7.515533
-4.034604
other
Zn4Mo4O24
32
4
557.59
mp-30159
8.314088
2.321625
-0.870284
other
Au2Br2F12
16
4
252.1
mp-757191
14.027278
8.09144
-5.425859
other
P8W2O24
34
4
516.58
mp-1199155
8.218689
7.344213
-4.016606
other
Mn8Se8O30
46
4
662.35
mp-5263
13.601293
5.570315
-5.881455
other
Ca16P8O36
60
4
789.94
mp-1210840
7.553677
7.723263
-3.916497
other
Na4Os2O16
22
4
365.44
mp-626534
9.835546
2.461157
-4.33146
other
H12N4O4
20
4
157
mp-667418
-3.251918
-1.206126
-5.365857
other
As20Pb12S40
72
4
1,917.12
mp-753155
5.137505
11.32804
-2.287803
other
Fe8O14F2
24
4
256.29
mp-1101038
11.819319
9.060534
0.521947
other
Ti4Ga8O20
32
4
368.11
mp-1101934
3.404427
-0.628509
-2.502091
other
Ca2Ga2H8
12
4
189.18
mp-1210678
8.505742
1.295507
1.352538
other
Lu2Zr2F14
18
4
260.59
mp-1221619
-6.306201
-0.650489
3.909408
other
Mn2Fe2Si4
8
4
88.84
mp-554980
7.733983
6.587968
-3.105246
other
Mn2I4O12
18
4
272.8
mp-755964
8.601113
15.124123
-1.673472
other
Mn6O10F2
18
4
186.48
mp-1209889
8.424678
1.353556
1.397747
other
Nd2Hf2F14
18
4
292.01
mp-1219248
-5.962021
-3.672827
-1.629073
other
Sm4Cu2Te8
14
4
410.89
mp-1371777
7.129457
12.041403
0.834233
other
Ca6Mn4O14
24
4
322.91
mp-755248
8.465026
14.846683
-1.736604
other
Mn8O14F2
24
4
244.15
mp-771830
-1.221791
2.001415
-1.812937
other
Sr8Y4I28
40
4
1,779.62
mp-1042299
11.246716
10.928642
-3.776235
other
Mg2Mo4O14
20
4
344.59
mp-626721
10.643433
4.488918
-4.012078
other
Rb2H2O2
6
4
93.78
mp-27234
7.567849
6.603021
-3.144602
other
Cu2I4O12
18
4
259.7
mp-1237476
9.612421
10.489138
-1.879889
other
Ni12Te8O32
52
4
725.02
mp-1079620
2.933205
3.320967
-4.474496
other
Cr2Cl4O4
10
4
281.13
mp-771647
7.914773
10.50085
0.410507
other
La8Pt8O28
44
4
602.24
mp-758656
8.610074
15.120565
-0.761678
other
Li4Mn14O24
42
4
461.65
mp-625632
10.253621
3.076963
-3.985167
other
H36Br4O16
56
4
611.55
mp-1181530
10.344044
6.054963
-4.424756
other
Fe4H4O8
16
4
179.46
mp-1207671
-3.015821
-2.378689
-5.904415
other
Y8Ag8S16
32
4
755.04
mp-585418
10.707311
7.922697
-6.990318
other
Fe2P8O24
34
4
529.84
mp-1329157
8.296538
8.112275
-2.702516
other
Al4Cu6O12
22
4
249.18
mp-7305
8.406432
1.369116
1.399454
other
Sm2Zr2F14
18
4
290.54
mp-759802
6.13203
13.793699
-2.04145
other
Li8Co10O24
42
4
407
mp-760266
10.148482
2.783285
1.977515
other
Li8V8F28
44
4
502.59
mp-1191534
6.070303
8.49609
-0.26582
other
Sr8Bi2O14
24
4
403.07
mp-773040
-3.264736
-1.209967
-5.352638
other
As20Pb12S40
72
4
1,927.14
mp-1191906
-2.752269
-2.750621
-5.667477
other
Nd8Fe2S14
24
4
582.6
mp-25814
8.763534
7.989496
-4.984399
other
Fe6P8O32
46
4
620.62
mp-1106386
7.936286
0.58627
-4.020766
other
B2H12N2
16
4
116.65
mp-764900
14.73195
12.234222
-0.881696
other
V6O6F6
18
4
196.96
mp-772043
6.966924
12.369214
-1.543203
other
Tl6Co6O16
28
4
353.53
mp-758337
13.10006
6.234066
-6.544532
other
Ca4P12O34
50
4
750.32
mp-1212965
8.482309
1.294801
1.383688
other
Er2Zr2F14
18
4
268.39
mp-777233
8.414238
1.174118
1.853933
other
Ba4Y4F20
28
4
483.37
mp-32509
13.086465
8.188128
-7.26814
other
V2P8O24
34
4
486.83
mp-1100830
6.384936
8.895785
-1.951873
other
Zr4Pb8O24
36
4
585.72
mp-558056
13.934138
5.471169
-6.748904
other
Al10P10O40
60
4
1,124.49