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-1245031
12.795049
11.344153
1.998912
other
Ti39O65
104
1
1,335.65
mp-1232391
12.109899
11.324971
2.284824
other
Nb4O9
13
1
179
mp-530018
-4.105764
-0.064787
-3.571242
other
Ta27S50
77
1
1,502.39
mp-1245019
8.676311
13.041336
-1.363401
other
Fe32O48
80
1
1,022.28
mp-1074291
-3.000412
-7.458816
7.596619
other
Mg8Si6
14
1
258.77
mp-1245055
12.684585
7.429773
0.642376
other
Al40O60
100
1
1,052.07
mp-685043
5.22785
2.567545
-3.930574
other
B18Br18
36
1
952.44
mp-1391176
6.846817
5.976338
-3.979419
other
Si3O12
15
1
231.43
mp-1074844
-3.258565
-7.882384
7.541164
other
Mg14Si8
22
1
428.5
mp-1073483
-2.511131
-5.471314
7.049981
other
Mg4Si8
12
1
226.74
mp-1245206
12.570986
9.328133
2.271788
other
Ti68O34
102
1
1,404.21
mp-1074472
-2.920065
-7.487679
7.583933
other
Mg8Si6
14
1
268.89
mp-776135
9.44939
13.180507
-0.99666
other
Fe23O32
55
1
601.91
mp-1075779
-2.78969
-5.303458
6.978744
other
Mg10Si18
28
1
486.74
mp-1245060
12.57905
5.707046
-1.896382
other
Be50O50
100
1
909.52
mp-1073371
-2.51882
-5.43434
7.072766
other
Mg4Si8
12
1
221.76
mp-1244899
-4.779877
-4.839434
0.060988
other
Ga50As50
100
1
2,410.39
mp-1244932
11.916171
8.14065
-0.109646
other
Ga32O48
80
1
1,013.75
mp-1245165
2.589411
2.549206
1.253402
other
Ga50N50
100
1
1,474.19
mp-1074259
-2.84387
-7.370984
7.319203
other
Mg8Si6
14
1
290.86
mp-1245263
2.924501
2.381522
1.714029
other
Si45N60
105
1
1,164.74
mp-1244885
10.910103
9.939375
3.699342
other
Hf34O68
102
1
1,343.11
mp-1245023
12.710416
7.404623
0.702622
other
Al40O60
100
1
1,102.56
mp-1073904
-2.619628
-6.997768
7.468561
other
Mg12Si10
22
1
439.09
mp-1075723
-2.879498
-5.257582
6.92041
other
Mg10Si18
28
1
484.37
mp-1173504
-4.078241
-0.098953
-3.659905
other
Nb3S6
9
1
249.47
mp-1073695
-2.313725
-6.770542
7.661832
other
Mg12Si12
24
1
450.21
mp-1245322
3.643866
2.725451
-2.758472
other
Sb50N50
100
1
3,932.55
mp-1073590
-2.484848
-5.497677
7.045599
other
Mg8Si16
24
1
455.81
mp-1244983
11.880379
11.446976
-0.186892
other
Fe40O40
80
1
1,092.64
mp-1073396
-2.630179
-5.427409
6.909867
other
Mg4Si8
12
1
234.72
mp-1244903
4.465974
3.405303
-3.603121
other
Ga50N50
100
1
2,268.85
mp-753921
-3.58946
-1.325081
-5.161688
other
Sb11S18
29
1
757.63
mp-1245291
9.948108
8.523372
3.203815
other
Y40O60
100
1
1,589.43
mp-556985
15.601448
5.6429
0.355153
other
Si4O8
12
1
204.01
mp-1075355
-2.01487
-5.979895
7.411237
other
Mg6Si8
14
1
278.34
mp-556788
14.814612
5.977408
-0.197864
other
Si4O8
12
1
148
mp-1245229
2.904967
2.381193
1.721935
other
Si45N60
105
1
1,167.8
mp-1244961
10.16321
12.145062
-4.173813
other
V30O75
105
1
1,857.2
mp-1075649
-2.445559
-5.533229
7.080184
other
Mg10Si18
28
1
543.54
mp-1074792
-3.323689
-7.936984
7.472666
other
Mg14Si8
22
1
428.09
mp-1244946
0.828051
1.549224
2.804848
other
Ta50N50
100
1
1,285.03
mp-1074546
-2.947608
-7.431939
7.620228
other
Mg16Si12
28
1
530.59
mp-1245113
12.654588
7.748441
0.6193
other
Al38O21
59
1
1,419.4
mp-664137
-3.657195
-1.37421
-5.608192
other
Ge6S12
18
1
502.76
mp-1385353
-3.151712
-5.740641
6.23955
other
Mg8Si6
14
1
263.63
mp-1245064
11.329717
12.955138
-0.570077
other
Cr32O48
80
1
950.26
mp-1245182
11.172001
11.10168
-2.774365
other
W25O75
100
1
1,740.62
mp-1245301
3.208539
2.583983
0.573694
other
B50N50
100
1
1,247.97
mp-1245020
12.807121
10.568376
-0.498481
other
W34O68
102
1
1,546.49
mp-1245081
12.727962
7.381612
0.719822
other
Al40O60
100
1
1,128.85
mp-1217322
-5.055292
-2.766495
-2.588134
other
Te3Se3
6
1
192.5
mp-1074938
-3.278592
-7.898823
7.41596
other
Mg14Si8
22
1
454.2
mp-1400283
-2.647876
-5.986758
6.256115
other
Mg8Si6
14
1
285.01
mp-1383199
8.651711
1.7808
0.521109
other
Ti2F8
10
1
143.48
mp-1245141
12.79933
9.991419
2.047925
other
Ti50O50
100
1
1,205.34
mp-1073733
-2.610005
-6.877909
7.662112
other
Mg6Si6
12
1
213.95
mp-684958
6.702707
6.215888
-3.919523
other
Ta1O10
11
1
173.86
mp-1245035
-4.695084
-1.818887
-6.759524
other
Zn50S50
100
1
2,421.56
mp-1245130
2.715713
2.765887
0.861294
other
Ga50N50
100
1
1,650.48
mp-1074455
-2.956834
-7.40834
7.253569
other
Mg8Si6
14
1
292.11
mp-1075741
-2.451631
-5.514482
7.091417
other
Mg10Si18
28
1
535.94
mp-1245308
10.671977
12.305202
2.089235
other
Ti30O60
90
1
1,070.22
mp-1443809
7.792193
5.000062
-2.025289
other
Cr4N8
12
1
203.22
mp-1075012
-2.074541
-5.883979
7.453854
other
Mg6Si8
14
1
261.21
mp-1245272
10.071013
12.116937
-4.228608
other
V30O75
105
1
1,800.61
mp-1074272
-2.890365
-7.486405
7.456565
other
Mg8Si6
14
1
283.59
mp-1244902
9.425839
8.739058
1.80398
other
Ca50O50
100
1
1,656.79
mp-1075360
-2.097931
-5.9388
7.495889
other
Mg10Si12
22
1
407.4
mp-1075576
-2.213163
-5.918051
7.46944
other
Mg10Si12
22
1
400.26
mp-638900
9.820718
7.127077
-2.628938
other
Si6O14
20
1
671.62
mp-611224
-2.983368
-0.631581
-4.768691
other
V1S2
3
1
135.56
mp-1074088
-2.741704
-5.340543
6.999289
other
Mg8Si14
22
1
393.57
mp-556588
14.277087
6.391458
-0.476033
other
Si4O8
12
1
134.15
mp-1245196
12.750676
7.356042
0.720421
other
Al40O60
100
1
1,136.67
mp-1073470
-2.589596
-5.420696
6.996547
other
Mg4Si8
12
1
226.25
mp-1245176
12.401014
9.119133
2.486092
other
Ti75O25
100
1
1,435.2
mp-1080317
-4.263548
-4.94951
-3.418859
other
Ce4Se8
12
1
776.44
mp-1074050
-3.403464
-8.060256
7.446612
other
Mg18Si10
28
1
557.98
mp-1075620
-2.74008
-5.315999
7.006668
other
Mg10Si18
28
1
492.91
mp-723352
-3.926159
-1.440401
-5.559297
other
Li22S11
33
1
508.28
mp-2215229
6.335045
13.51416
-2.348293
other
Co7O12
19
1
198.02
mp-1354450
5.38948
11.266276
-2.434672
other
Fe12O24
36
1
447.15
mp-1245326
2.637199
2.563431
1.215992
other
Ga50N50
100
1
1,486.1
mp-673673
6.959742
6.719932
-3.864559
other
Nd2O6
8
1
114.79
mp-1245296
-4.674685
-1.815021
-6.71251
other
Zn50S50
100
1
2,361.33
mp-1245059
11.970904
12.992013
-2.702282
other
V34O68
102
1
1,365.23
mp-1245236
-4.65713
-1.80525
-6.706542
other
Zn50S50
100
1
2,393.06
mp-1244901
10.077312
12.076952
-4.156488
other
V30O75
105
1
1,676.8
mp-1245052
12.702803
7.426962
0.749545
other
Al40O60
100
1
1,156.58
mp-684627
10.279658
8.650183
3.0183
other
Ce13O24
37
1
543.12
mp-1245004
-4.671916
-1.809217
-6.70657
other
Zn50S50
100
1
2,338.31
mp-1074930
-3.274744
-7.890135
7.528273
other
Mg14Si8
22
1
437.43
mp-1074283
-2.897531
-7.519633
7.538249
other
Mg8Si6
14
1
272.43
mp-1074841
-3.273309
-7.886815
7.484164
other
Mg14Si8
22
1
438.67
mp-674831
-4.709297
-1.70277
-5.623535
other
Cu12S6
18
1
299.19
mp-1074665
-3.689515
-8.285045
7.354047
other
Mg8Si4
12
1
252.69
mp-1244921
-4.65713
-1.796162
-6.698471
other
Zn50S50
100
1
2,396.18
mp-1244999
-4.746675
-4.842266
0.070351
other
Ga50As50
100
1
2,327.41
mp-705472
-2.814548
-0.936278
-4.912041
other
As24S24
48
1
1,614.15