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-1187012
-7.483484
-6.935375
6.924797
other
Sm4Mg2
6
12
183.14
mp-569318
-9.174965
-1.248883
2.913534
other
Pu3Ni12
15
12
205.7
mp-1228647
-8.993979
-0.724715
4.262709
other
B6Ir4
10
12
102.29
mp-1065265
3.624425
3.293218
-3.668535
other
Na1N3
4
12
73.63
mp-1745
9.991615
8.381947
3.142276
other
Sm6O9
15
12
224.53
mp-15669
-5.544242
-2.277026
-1.401263
other
Ti3Te4
7
12
175.4
mp-850032
-5.633554
-0.746599
-3.848929
other
Fe6S8
14
12
206.95
mp-1248957
15.558053
5.672009
0.321468
other
Si32O64
96
12
1,958.24
mp-31404
-2.125766
-6.103562
7.514184
other
Mg5Si6
11
12
200.1
mp-1096911
0.684589
3.086708
1.544419
other
Cr22N44
66
12
1,402.11
mp-1077179
-5.873245
-1.799382
2.032009
other
As4W2
6
12
102.28
mp-1095382
8.954405
13.437818
-0.94281
other
Fe5O7
12
12
121.73
mp-1205858
-8.533966
-1.659694
3.012519
other
Hf2Ni7
9
12
111.27
mp-17279
15.557495
5.692204
0.364432
other
Si16O32
48
12
949.92
mp-1227392
-6.174055
-5.753884
0.736145
other
Ca2Bi7
9
12
289.27
mp-568388
-1.24563
1.188727
-3.496132
other
Bi4I4
8
12
350.2
mp-29554
-0.99808
1.473384
-4.051379
other
W6Br30
36
12
1,293.46
mp-1028
-6.191328
-2.090608
-1.514892
other
V3Te4
7
12
171.55
mp-1393345
11.187551
10.802738
-3.247302
other
Mo3O8
11
12
165.03
mp-632413
1.495843
2.270561
-5.131797
other
Co1Cl2
3
12
60.98
mp-28916
-6.210613
-1.829656
1.334109
other
Mn6As4
10
12
145.51
mp-542812
-6.021594
-3.345771
-2.270307
other
Ga6Te6
12
12
381.42
mp-25469
1.872206
2.508726
-4.863543
other
Al2Cl6
8
12
184.02
mp-556253
10.214955
8.328462
3.190893
other
Tm6O9
15
12
193.71
mp-680204
15.469359
5.743409
0.319438
other
Si22O44
66
12
1,086.6
mp-558748
10.671654
8.635657
3.166244
other
Sc6O9
15
12
167.4
mp-1079534
-3.607464
-4.042017
0.570462
other
Eu2P6
8
12
166.58
mp-1474
-5.396599
-1.370638
1.955983
other
Re3P4
7
12
102.19
mp-31049
10.363553
8.487936
1.826488
other
Nd2O4
6
12
87.25
mp-1181961
-5.578213
-0.034693
-5.549536
other
Cr10S16
26
12
457.48
mp-567584
-5.347735
-3.317037
3.310923
other
Hf8Te4
12
12
287.71
mp-1094176
-7.583727
-8.820587
6.420266
other
La2Mg4
6
12
166.86
mp-30021
-5.022153
-6.169477
0.557798
other
K5Sb4
9
12
360.18
mp-1218055
-4.0712
-0.147648
-3.47468
other
Ta7S12
19
12
363.4
mp-1094300
-6.101128
-10.751544
5.684562
other
Sr2Mg4
6
12
190.2
mp-1178766
-0.275131
1.068199
-4.323284
other
Zn1Br2
3
12
94.11
mp-644514
8.173867
14.333532
-1.697636
other
Mn6O12
18
12
173.18
mp-30568
-9.56137
-5.154056
3.256026
other
Zn13Co1
14
12
194.37
mp-13412
-7.742299
1.046597
4.99755
other
Y3Fe29
32
12
424.83
mp-1182123
-5.366667
-5.865579
0.641805
other
Ba1Sb2
3
12
112.7
mp-1213756
-6.546682
-2.625978
-1.650232
other
Cr7Te8
15
12
361.4
mp-1195927
8.341793
13.628943
-1.049358
other
Fe13O19
32
12
312.89
mp-755411
12.010311
13.494056
-2.392023
other
V6O12
18
12
214.9
mp-1183959
-5.666955
-7.372536
4.106882
other
Eu4Mg2
6
12
215.67
mp-1073575
-3.050603
-5.189342
6.773239
other
Mg4Si8
12
12
209.74
mp-1173004
11.11815
10.760077
-3.256679
other
Mo6O16
22
12
326.46
mp-556480
12.775719
11.361925
1.968834
other
Ti6O10
16
12
184.39
mp-29831
1.836744
2.589781
-4.451614
other
Ta6Cl30
36
12
1,028.7
mp-1079776
-8.204305
-0.65797
4.289911
other
Hf2Co7
9
12
115.72
mp-1210567
-9.53968
-5.302825
3.330511
other
Mn1Zn13
14
12
201.16
mp-1094568
-6.255053
-9.35345
4.536053
other
Li2Mg2
4
12
83.81
mp-560236
8.418269
0.973046
1.631074
other
Mg2F4
6
12
108.49
mp-1188909
-3.58755
-4.018828
0.571894
other
Eu4P12
16
12
337.08
mp-1077791
-6.788248
-5.324666
4.838796
other
Zr2Sc4
6
12
145.91
mp-1096906
0.688765
3.09125
1.542255
other
Cr16N32
48
12
1,210.53
mp-1206498
9.818806
10.058924
-3.367144
other
Mo2O8
10
12
140.8
mp-1095508
-2.657991
-2.843795
-5.407006
other
Er5S7
12
12
264.25
mp-1075430
-2.097083
-5.922963
7.486737
other
Mg10Si12
22
12
411.23
mp-558351
15.659687
5.64403
0.392692
other
Si12O24
36
12
679.52
mp-697915
3.44625
-0.87653
-2.448384
other
Yb9H24
33
12
354.61
mp-1207893
-5.372633
-1.352785
-3.318906
other
V5Se8
13
12
261.28
mp-995184
7.364842
1.536458
-4.023788
other
H2C4
6
12
58.12
mp-560908
-4.826904
0.260783
-4.521412
other
V3S4
7
12
109.52
mp-754800
6.610271
12.500112
-1.383034
other
Ni6O8
14
12
142.28
mp-20174
-7.605981
-3.242442
2.503956
other
Ni3Sn4
7
12
124.22
mp-1218160
11.200848
11.850766
2.839995
other
Ta6O15
21
12
275.55
mp-1095014
-6.283305
-5.76966
0.531293
other
Mg2Bi4
6
12
176.04
mp-1062030
-3.974142
-0.11886
-4.380085
other
Ti1S2
3
12
113.85
mp-642644
2.983467
-0.235717
-1.582662
other
V2H1
3
12
28.58
mp-10032
-7.141221
-1.938529
4.233458
other
Ge4Os2
6
12
94.39
mp-1419585
0.335027
2.239244
2.237896
other
Mo2N2
4
12
47.75
mp-32727
-4.058081
-4.229781
-3.657242
other
Y12Se16
28
12
752.51
mp-27678
0.746522
1.021758
-3.614226
other
Y4Cl6
10
12
263.19
mp-569410
2.550685
2.695371
-4.451
other
P3Cl15
18
12
472.63
mp-1173210
1.593749
1.730823
1.30314
other
Sr4N3
7
12
156.63
mp-1185954
-5.707875
-5.566228
0.403731
other
Mg2Sb4
6
12
163.86
mp-1249637
15.571003
5.667971
0.334655
other
Si56O112
168
12
3,652.88
mp-1094352
-4.896641
-7.459341
3.543743
other
Sr4Mg2
6
12
259.24
mp-754806
7.170181
12.477475
-1.236925
other
Ni5O6
11
12
104.29
mp-1100452
-2.436506
-6.657955
7.659028
other
Mg6Si6
12
12
218.66
mp-1185946
-8.266895
-3.317672
2.676915
other
Mg2Pt4
6
12
95.85
mp-1039570
-6.346339
-10.416173
5.81547
other
Ca2Mg4
6
12
169.34
mp-2733
-6.322039
-1.392606
5.253504
other
Al8Mo3
11
12
163.88
mp-559964
11.964144
12.191306
2.01186
other
Ti12O22
34
12
386.96
mp-1073359
-2.51147
-5.407388
7.096859
other
Mg4Si8
12
12
214.69
mp-1226358
-5.420096
-1.637188
-3.802901
other
Cr14Se20
34
12
693.37
mp-679962
-4.937975
-2.485481
2.596129
other
Ti32Se12
44
12
733.82
mp-1100908
11.634655
13.619733
-2.621886
other
V4O8
12
12
125.03
mp-1068803
-7.087406
-5.345368
4.4663
other
Yb1Ga4
5
12
100.76
mp-1097873
-3.412928
1.35486
3.047825
other
Nd1B4
5
12
61.15
mp-1073850
-2.333524
-6.732791
7.693883
other
Mg6Si6
12
12
226.24
mp-573810
-5.472798
-3.57847
-0.346376
other
U4Te10
14
12
441.23
mp-867971
8.021488
13.941621
-1.790121
other
Mn15O32
47
12
560
mp-1186248
8.537277
1.967833
0.153167
other
Nb4F20
24
12
346.49
mp-1094252
-6.34117
-6.418288
2.09417
other
Mg2Sn4
6
12
154.03
mp-542910
12.457682
9.910272
0.664202
other
V7O3
10
12
142.85
mp-995197
7.566147
1.024901
-4.261514
other
H8C8
16
12
148.83
mp-1223990
-6.413101
-6.223329
1.376743
other
In4Bi1
5
12
144.38
mp-30952
1.891141
2.430189
-4.988609
other
Ga2Cl6
8
12
245.27
mp-1062114
-8.152106
-8.177791
3.30221
other
Sm1Hg2
3
12
78.41