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-1200168
-1.116374
0.597992
2.33622
other
Si29C29
58
160
608.57
mp-1202023
-4.842653
-1.787041
-6.729453
other
Zn18S18
36
160
732.34
mp-1227077
-7.771713
-6.437352
2.335894
other
Cd43Pd8
51
160
1,015.12
mp-18377
-4.843249
-1.785451
-6.730136
other
Zn10S10
20
160
405.95
mp-1172873
-5.655258
-3.393123
-1.969403
other
Ge1Te1
2
160
66.3
mp-13870
-4.669063
-0.929793
-2.924152
other
Ta2Se4
6
160
139.77
mp-7597
-4.567578
-0.86195
-3.073857
other
Nb1Se2
3
160
71.16
mp-1222780
-6.756929
-6.733104
6.943367
other
La3Y3
6
160
214.5
mp-1228630
-3.342912
1.846624
2.774217
other
B13P1
14
160
116.2
mp-1412582
12.013595
13.388515
-2.468975
other
V4O8
12
160
144.73
mp-1388847
9.260908
12.757031
-2.329899
other
Cr4O8
12
160
140.85
mp-1407373
5.999747
11.469678
-1.617982
other
Ni4O8
12
160
131.41
mp-1217172
-3.942121
-0.163316
-4.227388
other
Ti5S8
13
160
241.12
mp-15651
-5.525437
-1.648287
-3.198924
other
Ni3Se3
6
160
94.69
mp-685056
-4.496732
-1.351415
-5.021643
other
Cu9S16
25
160
525.64
mp-1200568
-4.845161
-1.791466
-6.733369
other
Zn18S18
36
160
735.75
mp-1228640
-3.13876
1.706725
2.713541
other
B12S1
13
160
111.38
mp-938
-5.604451
-3.376436
-1.979036
other
Ge1Te1
2
160
55.91
mp-579102
11.872829
8.753507
1.783896
other
Sm32O21
53
160
1,303.47
mp-1220109
-5.383863
-1.05157
-4.247086
other
Ni3S2
5
160
68.92
mp-1219457
-5.092985
-4.70195
0.102678
other
Sb1As1
2
160
53.2
mp-1227357
-5.148961
-1.482297
4.452653
other
Be9Cu3
12
160
103.8
mp-1219373
-5.660306
-3.850645
-1.319268
other
Sc3Te4
7
160
209.76
mp-33046
0.557177
1.39415
2.775498
other
Ti22N22
44
160
480.65
mp-685189
-5.514704
-2.923941
-4.375678
other
Cu29Se19
48
160
884.18
mp-23162
0.887714
1.283018
-3.163441
other
Zr1Cl2
3
160
66.85
mp-555410
-4.84276
-1.744709
-6.707887
other
Zn4S4
8
160
156.44
mp-627401
-1.19179
2.833306
-3.003312
other
Cd5I10
15
160
598.42
mp-1199063
-1.113888
0.598736
2.335358
other
Si28C28
56
160
587.87
mp-1194040
-6.827315
-1.481745
5.57779
other
Mn10Al16
26
160
352.5
mp-570690
-1.108078
0.596594
2.333895
other
Si9C9
18
160
189.07
mp-555763
-4.843601
-1.745161
-6.709891
other
Zn3S3
6
160
117.33
mp-624397
-1.114572
0.597858
2.335692
other
Si11C11
22
160
230.89
mp-556468
-4.84105
-1.782241
-6.726607
other
Zn8S8
16
160
323.75
mp-756488
6.125958
13.112019
-2.533859
other
Co4O8
12
160
129.94
mp-1224391
0.825974
1.257695
2.767143
other
Hf4N3
7
160
91.95
mp-628808
-9.158271
-5.408552
3.379555
other
Cu14Hg12
26
160
712.05
mp-1407587
8.007063
13.863679
-1.770687
other
Mn4O8
12
160
145.78
mp-1217883
-5.623685
-2.558745
4.908142
other
Ta39Al69
108
160
1,773.89
mp-966
-4.078799
-0.034563
-3.77967
other
Nb1S2
3
160
62.51
mp-1225769
-8.793218
-4.594285
3.264627
other
Cu5Ge2
7
160
96.49
mp-1222752
-6.748006
-6.711653
6.938772
other
La3Y3
6
160
211.14
mp-10014
-4.145227
-0.03055
-3.643365
other
Ta1S2
3
160
61.05
mp-1216474
-4.80609
-0.007365
2.93811
other
V4C3
7
160
69.49
mp-1216163
-7.631913
-10.051597
6.597694
other
Y4Mg25
29
160
709
mp-1227576
-9.216981
-4.690328
3.380209
other
Cu81Sn22
103
160
1,469.49
mp-1040834
12.932736
10.587751
-0.202068
other
W4O8
12
160
179.45
mp-10188
-5.477011
-0.656531
-4.176303
other
Fe3S4
7
160
103.54
mp-1200692
-1.15589
0.558847
2.360722
other
Si17C17
34
160
350.68
mp-1220501
-3.724458
-0.450144
2.78318
other
Nb4C3
7
160
88.75
mp-608468
-4.845606
-1.792589
-6.734054
other
Zn12S12
24
160
491.13
mp-1202182
-4.84398
-1.790252
-6.731465
other
Zn18S18
36
160
734.92
mp-1225654
0.942923
2.00209
-5.325252
other
Cu1Cl1
2
160
39.07
mp-11342
-4.806801
-2.684696
-4.032972
other
Ga2Se2
4
160
107.38
mp-1204356
-1.155947
0.561257
2.360266
other
Si19C19
38
160
391.94
mp-27658
-3.582211
0.870989
3.179382
other
Li5B4
9
160
108.62
mp-16226
-4.069945
-0.043435
-3.66108
other
Ta2S4
6
160
121.88
mp-1180507
-3.255577
1.647978
2.867617
other
Li1B11
12
160
87.45
mp-1181998
7.016416
5.709661
-2.951697
other
Br1O1
2
160
39.07
mp-1192989
-9.221136
-5.401925
3.260091
other
Cu14Hg12
26
160
433.57
mp-581258
-4.842659
-1.785004
-6.729181
other
Zn12S12
24
160
486.97
mp-1221436
2.154092
2.950128
-4.43989
other
Mo1Cl6
7
162
187.01
mp-248
-6.874744
0.541451
3.609138
other
Fe6N3
9
162
84.5
mp-557194
13.837996
6.2516
-0.588045
other
Si6O12
18
162
287.24
mp-33090
-0.215031
1.930262
2.406831
other
V6N3
9
162
93.63
mp-27819
8.734731
8.543397
-1.33681
other
Ag6O2
8
162
122.24
mp-1080866
-4.289285
-4.912052
-3.402776
other
Ce12Se24
36
162
2,339.39
mp-569157
-1.028339
2.235754
-3.036023
original
Bi2I6
8
162
368.32
mp-1079438
0.855035
1.605119
2.713182
other
Ta6N3
9
162
120
mp-556963
14.956613
5.95657
-0.052637
other
Si12O24
36
162
530.92
mp-27908
-6.884227
0.637087
3.721328
other
Fe24N10
34
162
330.45
mp-1080316
-4.22533
-4.877517
-3.399063
other
Ce6Se12
18
162
1,033.8
mp-1182868
6.461887
8.689209
-2.603306
other
Al2O6
8
162
102.37
mp-567354
1.465228
2.343197
-4.629058
other
Ti2Cl6
8
162
207.22
mp-1215783
-5.903336
-3.903992
3.441432
other
Zr10Sn7
17
162
389.95
mp-8780
0.041161
2.139965
2.351901
other
Cr6N3
9
162
85.55
mp-548170
11.299191
9.064733
1.825313
other
U3O8
11
162
151.42
mp-569391
1.149439
1.80533
-4.258953
other
Zr2Cl6
8
162
224.57
mp-1079585
0.533996
1.303147
2.814003
other
Nb6N3
9
162
123.53
mp-567397
-5.149837
-0.165939
3.188377
other
W6C3
9
162
114.38
mp-1220831
-5.679708
-2.355882
3.442971
other
Nb10Ge7
17
162
289.3
mp-569339
-8.845819
-4.820713
3.186309
other
Cu20Sn6
26
162
396.91
mp-569005
1.989306
2.944998
-4.430493
other
Mo6Cl24
30
162
812.07
mp-1221517
1.986816
2.916065
-4.397028
other
Mo3Cl12
15
162
352.14
mp-882
12.187782
9.079509
2.553082
other
Ti12O2
14
162
213.51
mp-13685
-5.5768
-0.063079
-5.547989
other
Cr8S12
20
163
354.25
mp-2591
12.23032
9.213367
2.516198
other
Ti12O4
16
163
216.74
mp-556464
14.537112
6.00555
-0.214216
other
Si12O24
36
163
449.04
mp-1189023
-5.422617
-1.622941
-3.810538
other
Cr8Se12
20
163
409.37
mp-1094153
-4.196371
-4.736648
-3.443932
other
Ce12Se24
36
163
2,268.92
mp-684640
1.89827
2.914294
-4.540608
other
Mo8Cl24
32
163
889.49
mp-554098
12.192215
9.079485
2.534627
other
Ti12O2
14
163
213.42
mp-1080373
-4.295415
-4.899839
-3.398648
other
Ce12Se24
36
163
1,908.72
mp-776655
12.882421
10.782186
1.857761
other
Ti8O12
20
163
217.76
mp-760992
10.311189
12.482972
-4.130105
other
V18O42
60
163
959.34
mp-567330
1.46811
2.342613
-4.615672
other
Ti4Cl12
16
163
406.2
mp-1311
-5.66043
-0.46568
-5.297251
other
Cr10S12
22
163
350.77
mp-1208273
-4.802463
-1.456751
-3.046059
other
Ti8Se12
20
163
410.38
mp-755175
12.579401
7.56077
0.516309
other
Al8O12
20
163
178.4
mp-2750
-6.460615
-2.66151
-1.76056
other
Cr8Te12
20
163
514.87