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-1047756
9.289834
2.714956
1.035444
other
Al2W6F30
38
11
609.66
mp-626724
11.814891
6.734167
0.0851
other
La2H2O4
8
11
106.91
mp-1193190
7.902856
10.241545
-3.813498
other
K4Cr6O18
28
11
424.52
mp-1205558
-4.420285
1.572394
3.188919
other
Ho2B6Mo2
10
11
113.9
mp-1225623
-2.63207
-2.786612
-5.56004
other
Er6Sc2S12
20
11
431.81
mp-3395
9.471273
6.953897
-3.3944
other
Sr2Se2O6
10
11
153.21
mp-26116
14.403531
7.733331
-6.42694
other
Cr4P6O20
30
11
362.71
mp-755861
9.915364
12.213972
-4.105891
other
Na2V6O16
24
11
318.79
mp-626495
10.475791
6.334445
-4.193061
other
Fe4H4O8
16
11
162.68
mp-752972
9.834339
12.323398
-4.082954
other
Na2V6O16
24
11
297.34
mp-726718
7.880858
10.247545
-3.795993
other
Na4Cr6O18
28
11
373.75
mp-567318
-4.450707
-2.948408
-3.791972
other
Tl4Sb4Se8
16
11
464.76
mp-1102545
-4.676404
-3.063172
-3.690123
other
Hf2Tl4Se6
12
11
342.78
mp-1410067
9.60224
10.560048
-2.920711
other
Ta2Re2O12
16
11
215.55
mp-643749
8.252569
0.809813
1.6966
other
K4Ca4F12
20
11
346.49
mp-29301
-3.11711
-1.803354
-5.521538
other
Ba8Ga4S14
26
11
737.97
mp-1220396
-5.507273
0.000999
-3.522383
other
Nb2Mo2Se6
10
11
201.28
mp-560531
10.760859
11.246179
-1.792489
other
Ba2W2O8
12
11
187.85
mp-556726
1.937682
2.815975
-4.424512
other
Re4S2Cl24
30
11
907.12
mp-705300
10.519721
7.837512
-6.73008
other
Cr2P10O30
42
11
611.91
mp-531590
12.517879
7.53325
0.626484
other
Sr2Al44O68
114
11
1,261.36
mp-1182237
6.661092
5.982887
-3.652247
other
Ba2Cl2O6
10
11
202.22
mp-540615
0.772983
2.276559
-4.144834
other
Nb6Se10Cl14
30
11
812.35
mp-1246281
1.644342
1.820159
1.200195
other
Sr40Ni8N32
80
11
1,864.27
mp-18686
-5.747725
-0.946381
2.500377
other
Zr2Cr10P6
18
11
231.72
mp-31062
13.335214
5.939254
-6.822036
other
Y4P12O36
52
11
775.16
mp-634676
-3.202609
-1.374228
-5.634971
other
K2H2S2
6
11
139.13
mp-680173
-6.494227
-5.003081
0.269994
other
Bi54Rh12Br18
84
11
2,603.89
mp-1101308
6.847654
8.43724
-1.260354
other
Tb2Pr2O8
12
11
176.26
mp-756439
-0.304736
0.747093
-3.728827
other
Sr2La2Br10
14
11
489.9
mp-1047502
8.317476
1.600779
-0.234442
other
Al2Bi6F30
38
11
675.18
mp-758271
10.851594
12.870497
-0.710491
other
Fe16Si2O24
42
11
464.45
mp-4264
9.342562
4.94801
-5.804662
other
K4S4O10
18
11
338.23
mp-1199053
-2.593132
-2.771764
-5.440936
other
La8Tm8S24
40
11
933.39
mp-779727
12.306619
12.754682
2.382488
other
Ti34N12O48
94
11
1,113.43
mp-1340624
10.320649
9.558655
0.521836
other
Ca4Sb4O12
20
11
276.6
mp-763541
8.37967
14.601114
-0.937034
other
K2Mn4O8
14
11
188.79
mp-1105940
-3.26807
-4.4216
0.705991
other
Ba4In8P8
20
11
565.98
mp-28967
-3.684931
-1.258265
-4.695851
other
Ba2Pd4S8
14
11
316.34
mp-558798
12.069892
6.488257
-5.490827
other
Bi2P2O8
12
11
166.91
mp-989641
0.806204
2.229238
1.957671
other
La2Os2N6
10
11
134.46
mp-756932
11.515516
11.033827
-2.430898
other
Ca6W4O18
28
11
550.63
mp-505740
-4.533013
-3.312776
-3.675197
other
Eu4Ge2Se8
14
11
395.22
mp-1220398
-4.614811
0.505539
-3.953306
other
Nb2Mo2S6
10
11
175.55
mp-1197135
6.18957
5.463868
-4.365144
other
La2N6O26
34
11
485.28
mp-998743
1.486421
2.467378
-5.512936
other
Tl2Ge2Cl6
10
11
324.69
mp-1181394
9.287118
11.070231
-0.044986
other
Fe4Bi4O12
20
11
246.29
mp-1079621
7.264304
8.422692
-2.627528
other
Sm2Cl2O4
8
11
144.97
mp-626151
12.225861
5.869016
-0.627793
other
Y2H2O4
8
11
88.08
mp-1206067
8.038105
5.713285
-3.608216
other
Nd2Cl2O4
8
11
138.73
mp-1103961
-4.575322
-3.581606
-3.604991
other
Yb4Ge2Se8
14
11
366.89
mp-7492
13.533249
4.790351
-1.347213
other
La2B2O6
10
11
127.94
mp-1178131
9.354549
0.831829
-0.400773
other
Li8Cu12F44
64
11
836.68
mp-13283
-2.692174
-2.793755
-5.494952
other
Sm2Er6S12
20
11
457.98
mp-752928
-5.548133
-0.643508
-4.376637
other
Li2Co2S4
8
11
119.89
mp-755177
9.485465
6.834234
-3.554235
other
Eu2Se2O6
10
11
148.47
mp-1189307
-2.695116
-2.763315
-5.548919
other
Nd2Ho6S12
20
11
467.64
mp-1206856
-4.359966
1.602593
3.195882
other
Dy2B6Mo2
10
11
114.73
mp-626361
11.154216
4.223979
-3.423248
other
Pr2H6O6
14
11
141.02
mp-997046
6.531996
5.921378
-3.89609
other
Au2Cl2O4
8
11
180.54
mp-625409
11.247961
4.26916
-3.35382
other
Sm2H6O6
14
11
132.58
mp-29715
-0.822687
1.306138
-4.200132
other
Te2W2Br18
22
11
874.59
mp-1103836
8.458304
7.109746
-4.019439
other
Np2Se2O10
14
11
212.7
mp-1298536
10.321915
12.912996
-0.3637
other
Li2Fe4O6
12
11
119.52
mp-770700
10.749357
12.569584
1.949418
other
Li4Ti6O14
24
11
274.21
mp-26532
10.273685
7.898348
-6.710059
other
Cu4P6O20
30
11
355.71
mp-27195
-3.97576
-1.541428
-5.527463
other
In8Bi4S18
30
11
728.73
mp-1223385
9.792817
10.086683
-1.276624
other
K2Sb10O26
38
11
498.48
mp-996969
9.484694
8.668653
-0.550479
other
Ag2Bi2O4
8
11
142.24
mp-29461
11.529683
10.970929
-3.749742
other
Zn6Mo4O18
28
11
409.93
mp-1095542
7.189123
8.669413
-2.023341
other
Rb2Li4O6
12
11
198.78
mp-27802
-3.211346
-1.835495
-5.634506
other
Ba6Sn12S18
36
11
1,006.51
mp-771827
-1.089765
2.312212
-2.799785
other
Ca6Pb6I28
40
11
1,812.51
mp-557163
8.627886
1.701534
0.690679
other
Ta2Pb2F14
18
11
241.49
mp-721815
-0.92509
1.276768
-4.424415
other
Hg2S2Br2
6
11
227.77
mp-779561
12.306911
12.753818
2.383219
other
Ti34N12O48
94
11
1,113.04
mp-773031
10.049903
12.621758
-4.086617
other
Li2V18O44
64
11
804.31
mp-1202855
4.885242
2.553634
-3.480157
other
C20I6N8
34
11
718.47
mp-1337082
12.934362
12.278357
-0.273461
other
Ca4V8O16
28
11
354.62
mp-570298
-6.004558
-5.311831
0.68513
other
Ba2Sb4Au4
10
11
268.43
mp-5918
-5.543698
-2.617462
2.904537
other
Hf4Ni2P2
8
11
128
mp-1191600
7.423923
8.489655
-1.354131
other
Dy6Ge2O16
24
11
329.78
mp-1188911
-2.683389
-2.816569
-5.372732
other
Ce2Tm6S12
20
11
458.81
mp-1201800
-2.620628
-2.840142
-5.51622
other
Pr8Tm8S24
40
11
918.18
mp-1188671
3.231719
-0.796126
-2.104159
other
Ba2Re2H14
18
11
179.62
mp-722045
5.215858
2.958937
-3.521017
other
C6N2Cl2
10
11
224.94
mp-1100976
9.85089
12.375274
-4.093586
other
V6Ag2O16
24
11
297.53
mp-1105916
7.155433
7.987401
-3.494527
other
Fe2S2O14
18
11
288.04
mp-22563
-2.67938
-2.799462
-5.599685
original
Gd2Lu6S12
20
11
441.61
mp-29682
-3.832057
-1.512072
-5.425572
other
Ba4Ag32S20
56
11
1,175.16
mp-1105696
-2.638754
-2.810972
-5.529353
other
Pr2Er6S12
20
11
465.14
mp-28347
-4.701418
-5.3103
0.435968
other
K6Al4As6
16
11
448.7
mp-31293
-7.396749
-6.071877
2.812058
other
Eu4Sn10Au4
18
11
458.62
mp-5431
10.10151
9.168895
-1.764474
other
Ba2Te2O6
10
11
189.26
mp-1189290
-2.690384
-2.757389
-5.394211
other
Ce2Ho6S12
20
11
469.29
mp-1189644
-2.658645
-2.81625
-5.597836
other
Pr2Lu6S12
20
11
451.65
mp-1209743
-0.200528
0.465256
-2.911537
other
Pr6Ru2Br6
14
11
460.83
mp-1006324
-2.738343
-2.721942
-5.38786
other
Ce2Y6S12
20
11
476.75
mp-1101397
12.048557
6.362972
-0.388145
other
Sm2H2O4
8
11
95.81
mp-29878
2.07978
2.58227
-4.562464
other
Re4P2Cl26
32
11
894.24