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-763291
13.087301
13.169827
-1.770262
original
V6O10F2
18
31
182.81
mp-530588
-5.312371
-0.382883
-5.612235
other
Dy8Cr24S48
80
31
1,468.2
mp-675433
-6.132861
-2.871824
-1.583027
other
Mn4Sb2Te2
8
31
185.14
mp-752895
9.839293
0.676785
1.236387
other
Li6Cu2F8
16
31
182.9
mp-778833
10.188581
1.616058
-2.152988
other
Co6O6F6
18
31
181.84
mp-754202
6.660623
5.806664
-3.385775
other
Cs2Cl2O6
10
31
211.66
mp-752484
13.57235
4.333719
-2.509986
other
Yb2B8O14
24
31
196.33
mp-756316
-3.652179
-1.267641
-5.578851
other
Li6Sb2S8
16
31
349.69
mp-1198765
6.520291
6.662894
-3.842725
other
Mg2Cl4O28
34
31
471.56
mp-1180149
11.066646
12.621036
-3.487469
other
Na2V4O10
16
31
221.07
mp-1219776
-2.613512
-2.776755
-5.721385
other
Rb6Er14S24
44
31
1,181.72
mp-1173671
13.321771
5.041793
-6.654497
other
Na6P2O8
16
31
214.49
mp-1227054
-4.256681
-4.294585
-3.774195
other
Cs6Ho14Se24
44
31
1,414.1
mp-675153
1.816967
1.271361
1.502577
other
Ca32H2N16
50
31
1,111.84
mp-988996
-6.406372
-2.537616
0.613702
other
Fe2Sb2As2
6
31
106.38
mp-1224782
7.163871
8.367306
-1.513237
other
Gd6Br4O12
22
31
419.11
mp-28262
9.022836
10.200654
0.081962
other
Na20Mn4O16
40
31
525.17
mp-758748
10.440437
0.682642
-0.708018
other
Co6O2F10
18
31
211.84
mp-770423
8.331032
14.354359
-1.014195
other
Mg4Mn6O16
26
31
263.02
mp-555869
11.077004
12.710739
-3.501989
other
Li2V4O10
16
31
203.48
mp-1774805
12.128627
11.10311
-2.216956
other
Ca2Mo4O12
18
31
234.28
mp-1040783
10.169464
9.622376
-0.150191
other
Ho2Sb4O12
18
31
249.65
mp-557480
10.518045
8.548534
-2.624084
other
Te4S2O14
20
31
292.31
mp-1228664
-5.157495
-5.902031
0.580644
other
Ba12Ga16Sb20
48
31
1,562.38
mp-1044472
6.06527
8.947027
-1.224538
other
Pr2Bi4O12
18
31
297.27
mp-9711
2.814933
2.285927
1.677106
other
Ba4Si10N16
30
31
380.1
mp-636731
11.475046
11.043571
-4.034393
other
Zr2Mo4O16
22
31
396.68
mp-5546
-4.754156
-1.440697
-5.751791
other
Cu16Ge2S12
30
31
481.41
mp-756451
-1.064665
2.235268
-2.625156
other
Ca4Pb4I16
24
31
1,080.82
mp-3228
9.464602
5.252338
-6.455753
other
Hg2S2O8
12
31
153.95
mp-540986
-5.839575
-1.392846
0.761437
other
Nd4Ni14P8
26
31
356.97
mp-510347
-3.951785
-1.313873
-5.784235
other
In10S10Br2
22
31
546.92
mp-1275288
11.805566
13.27422
-1.826974
other
Ti4V4O16
24
31
280.7
mp-18073
-4.439728
-5.623543
0.513753
other
K14Ta2As8
24
31
781.53
mp-23803
11.87704
5.05178
-3.783608
other
Ga2H2O4
8
31
62.95
mp-755543
12.210758
6.461418
-0.117285
other
Ho2H2O4
8
31
92.34
mp-686174
-3.989088
-0.188675
-4.625463
other
Ti48Ga10S96
154
31
3,019.48
mp-850866
10.22502
9.472092
3.636707
other
Ce8Hf8O32
48
31
588.24
mp-29045
10.347225
10.377675
3.213062
other
La10Ti10O34
54
31
679.36
mp-756044
11.602189
7.324346
-3.685817
other
Na6As2O8
16
31
232.66
mp-1094010
-3.981061
-1.393111
-5.890499
other
Zn2Ga8S14
24
31
617.21
mp-777636
12.821787
0.851919
2.194579
other
Fe10O6F14
30
31
362.73
mp-504535
11.332517
4.562332
-4.483666
other
In2H2O4
8
31
80.28
mp-1376593
5.042226
2.247203
-3.102588
other
B4C6N12
22
31
342.4
mp-1178270
5.225269
11.784058
-2.376798
other
Fe10O16F4
30
31
327.14
mp-3934
-4.204179
-1.060082
-5.442762
other
Cu6P2S8
16
31
273.5
mp-4962
-6.519735
-2.64166
0.306371
other
Co2Sb2S2
6
31
101.91
mp-763299
9.693463
1.025416
-0.537022
other
Ni6O2F10
18
31
205.96
mp-8109
14.049657
4.330317
-2.270128
other
Eu2B8O14
24
31
201.53
mp-1228732
6.766184
1.082874
-3.882533
other
B2H8N2
12
31
224.72
mp-4906
10.522462
8.631564
-2.607522
other
Te4S2O14
20
31
290.68
mp-1173611
1.551767
2.434837
-3.865403
other
Nb2Br12O4
18
31
902.24
mp-510346
-4.702543
-2.633964
-4.06714
other
In10Se10Br2
22
31
620.17
mp-2724538
-4.67054
-1.587303
-5.914591
other
Li2Cu2S2
6
31
95.33
mp-753034
13.118991
13.128366
-1.762629
other
V6O10F2
18
31
182.5
mp-1079773
-7.960917
-4.06597
3.302582
other
Nd2Ge4Pt4
10
31
194.83
mp-1281811
12.637586
-0.640482
0.315606
other
Mn2O2F2
6
31
76.51
mp-776641
8.108115
10.361796
-0.239285
other
Na10Co2O8
20
31
275.84
mp-760359
11.365573
12.399412
2.10567
other
Na2Ti12O24
38
31
451.58
mp-760784
9.408582
0.795551
-0.374918
other
Li12Cu16F60
88
31
1,147.54
mp-35082
7.89732
0.606976
-4.012809
other
B2H12N2
16
31
128.79
mp-1245976
0.633437
2.64545
1.948381
other
Fe6Si2N8
16
31
177.4
mp-1178310
5.786951
12.366738
-2.467937
other
Fe6O8F4
18
31
200.36
mp-732189
7.825468
8.438431
-2.500697
other
Cd6Ge2O12
20
31
294.48
mp-752995
13.208416
0.44914
0.753167
other
Fe6O6F6
18
31
200.18
mp-30908
-4.384467
-2.470158
-3.799302
other
Ag6P2Se8
16
31
396.9
mp-755642
-3.842309
-0.545382
-5.541335
other
Li6V2S8
16
31
337.31
mp-1226739
-5.910511
-3.834521
-1.607717
other
Cs6Tb14Te24
44
31
1,735.71
mp-1290888
5.967349
11.110532
-1.857185
other
Ti4Fe4O16
24
31
280.08
mp-759363
9.707469
1.022148
-0.534089
other
Ni6O2F10
18
31
204.65
mp-1045361
10.993591
11.930128
2.884352
other
Ta4Zn2O12
18
31
222.61
mp-1190784
-5.66678
-2.304793
-1.395504
other
Ta4Te16Os4
24
31
652.39
mp-756539
8.261344
13.23641
-1.051213
other
Cd4Fe8O16
28
31
298.15
mp-1226825
-5.87194
-3.85908
-1.571304
other
Cs6Sm14Te24
44
31
1,802.55
mp-1226868
-4.306315
-4.239236
-3.774581
other
Cs6Sm14Se24
44
31
1,489.26
mp-861189
-4.671057
-1.57305
-5.844893
other
Li2Cu2S2
6
31
96.93
mp-850984
12.823302
-0.842642
0.403884
other
Mn6O6F6
18
31
204.75
mp-4309
-3.742065
-1.45859
-5.69826
other
Ba2Ga8S14
24
31
556.29
mp-863362
10.92269
11.843967
3.050582
other
Li8Ta24O64
96
31
1,189.28
mp-17287
-5.853802
-2.353558
-1.202566
other
Ta4Te16Ir4
24
31
676.8
mp-9710
2.827134
2.294134
1.678498
other
Sr4Si10N16
30
31
364.24
mp-1178188
10.598195
10.368927
3.182058
other
Ho10Ti10O34
54
31
663.4
mp-996985
7.750618
8.360414
-2.628069
other
H2Au2O4
8
31
104.41
mp-1048765
9.762327
10.050212
-1.057395
other
Mg2Sb4O12
18
31
214.47
mp-1190788
-5.756776
-2.289724
-1.345012
other
Ta4Te16Rh4
24
31
656.5
mp-24040
11.649707
11.844475
-1.193972
other
Cr2H2O4
8
31
62.5
mp-763290
15.101544
12.610161
-0.855004
other
V6O8F4
18
31
200.87
mp-10428
-5.405924
-2.847661
-4.366514
other
Cu16Si2Se12
30
31
537.67
mp-8258
-3.770838
-1.497133
-5.941831
other
Ba2Al8S14
24
31
552.96
mp-780496
11.805229
1.362747
2.679836
other
Fe6O2F10
18
31
222.16
mp-770632
8.80511
12.011407
-2.148305
other
Li6Cr2O8
16
31
165.26
mp-1104888
-1.174975
2.790172
-3.066564
other
Zn2Ag4I8
14
31
511.92
mp-1245967
1.131323
2.404196
1.83457
other
Zn6W2N8
16
31
195.91
mp-1226222
-4.291759
-4.210929
-3.766567
other
Cs6Y14Se24
44
31
1,415.15
mp-1192072
8.658678
1.164842
1.469524
other
Ba4Zn4F16
24
31
367.59
mp-5679
10.573163
4.462384
-7.148042
other
Cd2S2O8
12
31
146.79
mp-5540
13.806896
4.125448
-2.415321
other
Sr2B8O14
24
31
201.65
mp-1342904
9.876534
12.292265
-3.835317
other
Ca2V4O12
18
31
218.52
mp-1045304
9.737141
10.100889
-1.17338
other
Zn2Sb4O12
18
31
215.91
mp-760083
11.633554
10.343928
2.769388
other
Sr10Nb10O32
52
31
758.55