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-1094499
-4.367665
-3.728192
4.551308
other
Mg3Ti3
6
156
116.89
mp-1220681
-4.50835
-1.030945
-2.662646
other
Nb2Se3
5
156
141.75
mp-570781
-1.207868
2.842259
-3.005802
other
Cd6I12
18
156
685.42
mp-570552
-1.20697
2.841919
-3.008701
other
Cd13I26
39
156
1,507.42
mp-571578
-1.208335
2.843287
-3.005871
other
Cd10I20
30
156
1,136.78
mp-1355579
5.363243
11.192971
-2.368055
other
Fe12O24
36
156
441.83
mp-554829
-4.840971
-1.744013
-6.703741
other
Zn24S24
48
156
939.12
mp-680115
-1.192891
2.838137
-3.00304
other
Cd14I28
42
156
1,684.73
mp-571535
-1.208299
2.842901
-3.005662
other
Cd8I16
24
156
911.27
mp-571607
-1.194709
2.839919
-3.003592
other
Cd12I24
36
156
1,447.84
mp-555583
-4.84135
-1.744529
-6.704924
other
Zn24S24
48
156
939.29
mp-680144
-1.193441
2.837361
-3.002914
other
Cd19I38
57
156
2,279.02
mp-571539
-1.207683
2.841571
-3.005949
other
Cd8I16
24
156
917.86
mp-571225
-1.208328
2.843017
-3.005709
other
Cd7I14
21
156
796.55
mp-669334
-1.191975
2.837324
-3.003021
other
Cd15I30
45
156
1,804.98
mp-680119
-1.192994
2.837943
-3.002971
other
Cd15I30
45
156
1,803.53
mp-557054
-4.842126
-1.746143
-6.707839
other
Zn14S14
28
156
548.32
mp-680093
-1.208264
2.843044
-3.005755
other
Cd11I22
33
156
1,250.24
mp-569722
-1.190457
2.842864
-3.005149
other
Cd17I34
51
156
2,106.46
mp-556152
-4.841356
-1.743452
-6.704026
other
Zn18S18
36
156
703.92
mp-554681
-4.840962
-1.743093
-6.702952
other
Zn28S28
56
156
1,094.93
mp-705430
8.158496
14.118556
-1.724057
other
Mn24O48
72
156
848.26
mp-1232344
-3.062968
1.018273
-3.786069
other
Re1S2
3
156
54.59
mp-571616
-1.207783
2.842422
-3.006249
other
Cd10I20
30
156
1,145.84
mp-556392
-4.841532
-1.744737
-6.705448
other
Zn14S14
28
156
547.95
mp-582084
-1.191015
2.842453
-3.004807
other
Cd18I36
54
156
2,218.77
mp-555079
-4.8405
-1.743584
-6.702459
other
Zn28S28
56
156
1,095.57
mp-1354468
8.138881
14.115243
-1.71763
other
Mn12O24
36
156
419.88
mp-570695
-1.207802
2.841292
-3.005724
other
Cd6I12
18
156
689.56
mp-1039765
-6.821878
-6.224892
5.641262
other
Ce3Mg3
6
156
146.12
mp-571519
-1.207488
2.840106
-3.006582
other
Cd7I14
21
156
811.12
mp-1220475
-4.026062
-0.607233
-2.9544
other
Nb7S8
15
156
254.08
mp-555214
-4.839699
-1.748274
-6.708893
other
Zn26S26
52
156
1,014.3
mp-571615
-1.208194
2.842558
-3.005493
other
Cd10I20
30
156
1,139.46
mp-570165
-1.207965
2.842578
-3.005904
other
Cd9I18
27
156
1,026.56
mp-570136
-1.267222
2.552144
-3.248435
other
Cu6I6
12
156
330.49
mp-580202
-0.931595
2.363196
-3.094046
other
Pb10I20
30
156
1,417.34
mp-680095
-1.193631
2.837058
-3.002932
other
Cd20I40
60
156
2,396.78
mp-571197
-1.207604
2.841561
-3.006422
other
Cd7I14
21
156
804.85
mp-28478
-5.902047
-3.210098
-1.999588
other
Na12Te36
48
165
1,583.04
mp-1191736
8.673273
1.337775
1.810113
other
Y6F18
24
165
274.77
mp-2651
8.634865
1.484023
2.022542
other
Pr6F18
24
165
314.07
mp-1191179
2.966309
-0.489985
-1.88004
other
Tm6H18
24
165
212.81
mp-254
8.639666
1.528803
1.986229
other
Nd6F18
24
165
306.1
mp-7634
-5.75469
-4.255885
0.561816
other
Cu18As6
24
165
324.23
mp-1191653
-4.912971
-5.214943
0.489963
other
Li18As6
24
165
363.53
mp-8066
-5.780615
-4.234326
0.523629
other
Cu18As6
24
165
331.57
mp-505686
3.03712
-0.625815
-1.998841
other
Gd6H18
24
165
239.7
mp-1191571
2.992935
-0.551757
-1.917285
other
Dy6H18
24
165
227.03
mp-905
8.531269
1.332764
2.099317
other
La6F18
24
165
326.17
mp-359
-4.883669
-3.898058
0.631502
other
Cu18P6
24
165
299.71
mp-1190843
2.789919
0.029697
-1.656733
other
Np6H18
24
165
231.07
mp-14012
-4.870798
-3.797222
0.59376
other
Cu18P6
24
165
294.69
mp-982384
2.959374
-0.541115
-1.925217
other
Tb6H18
24
165
232.15
mp-1210818
8.800101
1.313015
1.773501
other
Lu6F18
24
165
253.17
mp-1191245
2.943055
-0.544174
-1.895657
other
Lu6H18
24
165
205.17
mp-1192065
3.024554
-0.553195
-1.93519
other
Sm6H18
24
165
252.05
mp-510560
8.724383
1.723504
2.108452
other
Ce6F18
24
165
314.88
mp-23706
3.012856
-0.583428
-1.978666
other
Y6H18
24
165
228.14
mp-632656
2.968798
-0.527217
-1.900781
other
Ho6H18
24
165
222.21
mp-976578
3.038655
-0.587104
-1.990661
other
Nd6H18
24
165
267.16
mp-1190750
2.97461
-0.585368
-1.956672
other
Er6H18
24
165
217.23
mp-1557
-7.754695
-8.830224
4.009113
other
Mg18Au6
24
165
465.4
mp-1212889
8.634776
1.401349
1.841808
other
Dy6F18
24
165
272.57
mp-1008600
1.734976
2.142055
2.097722
other
Zr1N2
3
164
43.72
mp-1094615
-6.257399
-6.017268
3.701998
other
Mg2Ga4
6
164
119.51
mp-10733
9.979077
8.42769
3.143764
other
Sm2O3
5
164
73.48
mp-1008754
-8.076944
-7.986694
3.262753
other
Tb1Hg2
3
164
85.03
mp-1224698
0.467102
3.059462
1.890873
other
Fe2N1
3
164
29.03
mp-29735
-5.54064
-2.806946
3.326367
other
Nb30Ge21
51
164
998.91
mp-1063280
-7.950859
-7.95224
3.342219
other
La1Hg2
3
164
96.6
mp-25223
8.075701
14.25756
-1.671055
other
Mn1O2
3
164
32.52
mp-570122
-6.518513
-2.662702
-1.70337
other
Cr3Te4
7
164
177.71
mp-1219462
-5.664793
-3.51923
-1.959664
other
Sb1Te2
3
164
95.66
mp-1103073
-0.549837
1.364126
-4.143042
other
Sb2Br9
11
164
490.08
mp-1120788
1.542357
2.339404
-5.279158
other
Co1Cl2
3
164
178.45
mp-1187843
-6.34641
-6.503632
2.864572
other
Ti2Pb6
8
164
216.1
mp-1039462
-5.159896
-7.331117
3.941174
other
Ca4Mg2
6
164
217.52
mp-1023940
-6.588864
1.471751
-4.00848
other
Mo2Se4
6
164
218.68
mp-1094853
-6.236597
-9.355171
4.429946
other
Li2Mg2
4
164
86.18
mp-1067974
0.542631
1.019884
-3.239879
other
Zr2Cl2
4
164
92.84
mp-28306
-0.621317
1.245276
-4.842409
other
Mn1Br2
3
164
84.15
mp-1206431
-8.499718
-6.14888
2.290605
other
In2Au3
5
164
111.48
mp-1181450
-5.27013
-6.357604
3.407716
other
Eu1Ge2
3
164
133.47
mp-1094790
-4.931002
-7.520435
3.750333
other
Sr2Mg2
4
164
159.39
mp-1008777
-8.053822
-8.032841
3.277494
other
Sm1Hg2
3
164
87.72
mp-2755
-5.63828
-3.260303
-1.753887
other
Si1Te2
3
164
88.55
mp-1017552
9.570013
8.532831
-0.461481
other
Bi2O3
5
164
76.22
mp-1173628
-3.651577
-0.329196
2.78615
other
Nb39C34
73
164
883.04
mp-685209
2.137017
1.835185
2.025126
other
Sc39N34
73
164
910.53
mp-1094569
-5.720272
-7.198588
3.481282
other
Li4Mg2
6
164
127.06
mp-1039309
-7.187656
-10.866721
4.668661
other
Mg4Cd2
6
164
135.57
mp-32686
5.911409
13.412395
-2.537346
other
Co2O4
6
164
58.49
mp-1094753
-6.750871
-9.299637
3.423709
other
Mg2Sn2
4
164
101.12
mp-1094788
-8.006938
-9.709424
4.39572
other
Mg2Zn2
4
164
75.25
mp-1224858
-8.39654
-1.943891
2.65867
other
Ga1Ni2
3
164
37.02
mp-1030319
-8.891119
1.69561
-3.330746
other
Te8Mo4
12
164
428.28
mp-31474
-7.070339
-7.563618
1.775592
other
Rb2Hg7
9
164
285.98
mp-1023933
-7.475914
1.678146
-4.885682
other
W2Se4
6
164
229.45
mp-569018
-6.090085
-6.251457
0.656659
other
Mg3Bi2
5
164
140.25