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-9815
-4.268021
-1.188408
-5.557964
other
Ta2Tl2Cu4S8
16
40
394.64
mp-1197100
12.741426
6.077073
-0.82638
other
Ca16Si12H8O44
80
40
1,000.26
mp-757107
13.849338
8.12654
-0.989398
other
Li4Fe4Si4O14
26
40
286.65
mp-1205413
-5.940757
-3.258978
-2.065042
other
Rb2Ta2Cu4Te8
16
40
538.88
mp-6507
12.459945
6.260097
-0.724343
other
Na4Zn4Si4O14
26
40
334.97
mp-1176737
10.949827
0.525972
0.564687
other
Li4Fe8O4F20
36
40
412.24
mp-567177
-4.704332
-2.440643
-3.570045
other
K2Nb2Ag4Se8
16
40
510.07
mp-555984
-4.329039
-1.449769
-5.750457
other
Eu2Cu4Sn2S8
16
40
350.16
mp-1228283
7.933568
11.206674
1.633233
other
Ba6Ti2Fe4O16
28
40
417.42
mp-1199624
10.545416
11.545322
3.308913
other
Ba16Na8Nb40O120
184
40
2,615.05
mp-6181
-4.221961
-1.045688
-5.51941
other
Na2Nb2Cu4S8
16
40
397.41
mp-6376
-4.271944
-0.918117
-5.41468
other
K2V2Cu4S8
16
40
362.57
mp-1200651
9.877718
10.660656
3.367177
other
Ba2La4Ti6O20
32
40
438.87
mp-1106233
-4.076787
-1.12966
-5.543194
other
K2Nb2Cu4S8
16
40
378.57
mp-11925
-4.862555
-2.759364
-3.821121
other
Rb2Ta2Cu4Se8
16
40
444.98
mp-6599
-4.899467
-2.651255
-3.757357
other
K2Nb2Cu4Se8
16
40
429.17
mp-1179076
13.315798
7.435364
-1.158743
other
Sr2V2Si4O14
22
40
283.89
mp-1229270
12.437324
7.301394
0.576475
other
Al22H4N2O34
62
40
633.3
mp-2583419
11.341215
10.296922
3.837247
other
Sr4Ta4N4O8
20
40
267.84
mp-6013
-4.906217
-2.737296
-3.844514
other
K2Ta2Cu4Se8
16
40
431.11
mp-554240
13.40514
4.749383
-1.687458
other
Na2Ca8B6O18
34
40
400.82
mp-568854
1.415536
2.615186
-4.88875
other
Cs6Re6Br6Cl18
36
40
1,175.88
mp-558347
11.936328
6.548802
-0.509448
other
K8Ba2Si6O18
34
40
563.73
mp-753537
14.232323
7.642587
-7.074644
other
Li2Mn2P2O8
14
40
153.79
mp-753530
13.700091
7.489162
-0.877162
other
Li4Mn4Si4O14
26
40
329.29
mp-1199421
8.05651
2.635297
-1.629557
other
K4U6O20F16
46
40
805.32
mp-861942
-3.740369
-1.541504
-5.702969
other
Ag4Ge2Pb2S8
16
40
364.73
mp-555023
13.386041
4.751621
-1.62494
other
K2Ca8B6O18
34
40
410.71
mp-555836
13.808561
7.248912
-4.899338
other
Sn4P2Cl2O8
16
40
283.72
mp-1176789
14.94024
8.017995
-5.423225
other
Li4Cr4P4O16
28
40
305.96
mp-1193195
9.986547
7.206287
-2.183337
other
Ca2Zn4Si4O16
26
40
345.43
mp-1103709
-1.128999
2.517892
-3.199451
other
Rb4Cd2I4Br4
14
40
590.82
mp-780684
8.176816
4.410476
-6.848203
other
Li4Cr2C6O18
30
40
331.62
mp-758330
12.863853
7.235918
-1.587533
other
Li4Co4Si4O14
26
40
279.4
mp-1194955
8.702525
3.581641
-7.179345
other
Na6Gd2C6O18
32
40
400.12
mp-12364
-4.944986
-3.078454
-4.057319
other
Ba2Cu4Sn2Se8
16
40
437.99
mp-777825
-4.062582
-2.697785
-3.506567
other
Li2Eu2P2Se8
14
40
369.2
mp-555954
-3.390314
-1.641759
-5.685419
other
Ba2Sn2Hg2S8
14
40
412.91
mp-557735
9.928106
9.652604
-1.873375
other
Ba2Cu2Te4O14
22
40
322.7
mp-1228627
6.146467
11.170382
0.096562
other
Ba10Co10O26F2
48
40
714.43
mp-1019607
13.80598
4.229485
-2.249995
other
Cs4Li10B14O28
56
40
668.54
mp-1194479
8.722008
3.588396
-7.131073
other
Na6Y2C6O18
32
40
374.43
mp-1104352
7.847322
6.467944
-3.169026
other
Li2Zn2I2O8
14
40
203.82
mp-560535
12.02723
6.498643
-0.564206
other
K8Sr2Si6O18
34
40
521.18
mp-1020664
13.817742
4.206049
-2.263449
other
Rb4Li10B14O28
56
40
633.55
mp-758564
8.37986
3.769088
-7.063826
other
Li4V2C6O18
30
40
374.4
mp-1104168
-3.158023
-1.380499
-5.379108
other
Na2Eu2As2S8
14
40
343.81
mp-1190512
10.169811
9.503408
-1.292706
other
Na4U2Te2O14
22
40
308.49
mp-17307
-4.455366
-2.88588
-3.919771
other
K4Hg6Ge4Se16
30
41
951.29
mp-1199065
-2.790517
-2.514227
-5.712233
other
Sm16Ga4Sb4S36
60
41
1,385.81
mp-1195104
-2.864323
-2.518631
-5.142858
other
Ce16Ga4Sb4S36
60
41
1,419.92
mp-1284602
8.014057
10.788323
2.121691
other
Sr6Nb2Co2O14
24
41
338.38
mp-1219782
1.196748
2.444067
-5.768578
other
Rb4Cu2Br2Cl6
14
41
432.52
mp-1194260
10.691632
4.229142
-4.294267
other
As4H12C2O12
30
41
365.91
mp-1210915
10.101181
8.033557
-6.273799
other
Ni10P8O32F4
54
41
763.12
mp-558602
13.488209
5.944941
-7.027591
other
Cs2Al6P12O40
60
41
844.66
mp-1200897
-2.751857
-2.491406
-5.829279
other
Ho16Ga4Sb4S36
60
41
1,314.68
mp-556889
12.339839
7.284478
0.397323
other
Ca16Al24Mo4O64
108
41
1,645.2
mp-18115
-3.551505
-1.542577
-5.835507
other
K4Sn4Hg6S16
30
41
896.59
mp-17792
-3.577327
-1.449879
-5.813243
other
K4Hg6Ge4S16
30
41
796.99
mp-630234
11.255754
9.977663
1.076482
other
Li4Ti6Bi8O24
42
41
536.86
mp-1202807
9.993683
1.870619
-3.730743
other
Al2H24N6F12
44
41
365.21
mp-1202783
-2.699018
-2.559042
-5.772387
other
Pr16Ga4Sb4S36
60
41
1,456.51
mp-721194
9.050218
4.963996
-4.305641
other
Rb2B10H16O24
52
41
1,034.1
mp-1568146
9.053503
14.604034
-0.758905
other
Li4Mn4Cr2O12
22
41
235.65
mp-1219758
1.253343
2.516493
-5.694195
other
Rb4Cr2Br2Cl6
14
41
434.44
mp-1200952
12.407107
4.203632
-3.063894
other
K2B10H16O24
52
41
595.82
mp-25911
14.460788
8.51864
-6.39113
other
Li2V6P12O40
60
41
893.42
mp-722980
6.255276
5.014676
-4.483959
other
Hg16H4N12O40
72
41
1,164.05
mp-1227907
10.590867
10.357008
1.846236
other
Ca4Ti10Bi8O36
58
41
737.72
mp-757774
6.152081
13.436236
-1.630547
other
Li4Co2Ni4O12
22
41
204.09
mp-1182103
9.153022
7.564684
-2.053047
other
Hg4Pb8Br12O8
32
41
859.13
mp-1195907
-2.763802
-2.546831
-5.784338
other
Nd16Ga4Sb4S36
60
41
1,436.21
mp-1202576
-2.710356
-2.548144
-5.791584
other
Tb16Ga4Sb4S36
60
41
1,337.04
mp-849780
8.072831
6.1509
-3.630135
other
La6H30I20O74
130
41
1,801.61
mp-1210188
10.497702
10.208805
2.458085
other
Nd4Ti6Bi4O24
38
41
494.81
mp-556028
12.395317
7.239738
0.527794
other
Ca16Al24W4O64
108
41
1,644.69
mp-780658
11.134627
8.092872
-7.772925
other
Li2Mn6P12O40
60
41
876.34
mp-1221370
8.137001
2.320144
-1.32783
other
Na4Nb2O8F10
24
41
386.89
mp-779048
12.972322
7.675164
-7.22383
other
Li2Cr6P12O40
60
41
879.81
mp-706621
12.502891
4.216463
-3.064466
other
K2B10H16O24
52
41
568.75
mp-703444
12.022047
3.951601
-3.464363
other
B10H24N2O24
60
41
594.37
mp-1197646
10.187109
9.193653
-1.9663
other
Ba24Te40Br8O100
172
41
3,467.37
mp-1279682
6.918436
10.919065
1.369821
other
Sr4La4Co4O16
28
41
378.83
mp-1199284
-2.785503
-2.485466
-5.738832
other
Gd16Ga4Sb4S36
60
41
1,355.19
mp-1282822
8.275668
10.893898
2.236763
other
Sr12Ta4Co4O28
48
41
676.53
mp-1201177
7.215159
0.175933
-4.163408
other
Ca2B8H40N4
54
41
473.87
mp-1639830
6.414077
13.95514
-1.706536
other
Li4Fe2Co4O12
22
41
224.99
mp-1573004
8.317364
14.93139
-0.797681
other
Li4Mn4Fe2O12
22
41
237.73
mp-1274449
6.915395
10.91496
1.361418
other
Sr2La2Co2O8
14
41
190.05
mp-1196712
-2.746759
-2.500958
-5.803323
other
Dy16Ga4Sb4S36
60
41
1,322.59
mp-759396
12.335407
6.503202
-6.224847
other
Li2Bi6P12O40
60
41
1,018.55
mp-1227495
8.421277
1.117676
1.014616
other
Ba2Sr2Pd2F12
18
41
317.19
mp-559951
10.712588
10.146794
1.851516
other
Sr2Ta4Bi4O18
28
41
384
mp-1304800
5.895636
11.142256
0.325291
other
Sr6Mn2Fe2O14
24
41
309.58
mp-554242
12.163783
7.913093
0.727814
other
Ca4Al6W1O16
27
42
327.92
mp-1226391
1.390063
2.779706
-6.108079
other
Cs10Co2Ag2Cl16
30
42
1,072.9
mp-766262
9.338775
2.384857
-4.698629
other
H20C3N4O10
37
42
306.13
mp-1211908
8.833771
7.749835
-5.050812
other
K4Co1P6O25
36
42
605.93
mp-1224721
-8.017591
-1.753094
2.851029
other
La2Fe2Ni16Ge8
28
42
370.02