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-1075387
-2.151229
-5.873355
7.440866
other
Mg10Si12
22
1
406.87
mp-714859
7.435718
5.114207
-1.657769
other
Bi2O3
5
1
92.72
mp-1075456
-2.439379
-5.664482
7.291689
other
Mg6Si8
14
1
261.42
mp-1074887
-3.273789
-7.903588
7.496849
other
Mg14Si8
22
1
437.51
mp-678007
-4.804685
-5.213665
0.472362
other
Sr6As8
14
1
409.67
mp-1074347
-2.85197
-7.440228
7.564609
other
Mg16Si12
28
1
544.61
mp-1245084
8.852843
12.855037
-1.384541
other
Fe32O48
80
1
1,088.27
mp-1100447
-2.613211
-5.371407
7.111557
other
Mg8Si14
22
1
390.57
mp-1351349
6.297172
9.07268
-1.282489
other
Bi16O32
48
1
784.91
mp-1245198
10.145356
12.197447
-4.238811
other
V30O75
105
1
2,001.69
mp-863766
11.922344
11.952886
-0.138334
other
Fe32O35
67
1
732.29
mp-1445089
10.213327
10.576535
-3.841156
other
Mo4O12
16
1
228.86
mp-1250310
-2.905732
-5.233041
6.875444
other
Mg8Si14
22
1
373.69
mp-1075495
-2.097244
-5.935537
7.475435
other
Mg10Si12
22
1
401.98
mp-1245194
-4.664073
-1.780484
-6.694882
other
Zn50S50
100
1
2,527.03
mp-1262288
-3.171938
-5.126436
6.691782
other
Mg4Si8
12
1
204.43
mp-1245208
11.33723
12.929708
-0.517607
other
Cr32O48
80
1
918.15
mp-675957
10.037936
9.94708
-0.798862
other
Sb26O53
79
1
1,100.17
mp-1040910
12.002758
13.43121
-2.486271
other
V12O24
36
1
445.89
mp-1228098
-6.924187
-4.443855
5.442304
other
Ho12Ge22
34
1
741.3
mp-682953
-3.489993
-4.440789
0.682132
other
Sr6P8
14
1
368.57
mp-1073935
-2.720827
-7.234185
7.695684
other
Mg12Si10
22
1
415.36
mp-1245086
12.81754
11.313266
1.998559
other
Ti39O65
104
1
1,276.22
mp-1075018
-2.143605
-5.817171
7.436536
other
Mg6Si8
14
1
258.57
mp-1075385
-2.362025
-5.951491
7.439127
other
Mg10Si12
22
1
398.95
mp-1075658
-2.46323
-5.509901
7.086844
other
Mg10Si18
28
1
537.19
mp-1245136
-4.664346
-1.806642
-6.711649
other
Zn50S50
100
1
2,378.67
mp-1074338
-2.930447
-7.475293
7.579218
other
Mg8Si6
14
1
263.63
mp-1245311
9.045395
8.994555
1.660059
other
Ba50O50
100
1
2,645.17
mp-1075610
-2.82304
-5.28602
6.963128
other
Mg10Si18
28
1
489.88
mp-1073398
-2.549751
-5.449087
7.008297
other
Mg8Si16
24
1
446.22
mp-1247873
-3.001419
-0.957106
-4.837189
other
As16S17
33
1
1,197.67
mp-1074770
-3.655571
-8.255907
7.402389
other
Mg8Si4
12
1
237.19
mp-1074932
-2.14322
-5.837845
7.448894
other
Mg6Si8
14
1
254.26
mp-684881
-6.575608
-2.927153
0.718945
other
Mn27Sb26
53
1
1,059.5
mp-1074676
-3.638837
-8.314546
7.268696
other
Mg8Si4
12
1
228.61
mp-1074146
-2.41501
-5.524629
7.139791
other
Mg8Si14
22
1
415.38
mp-1075113
-2.078763
-5.891508
7.483521
other
Mg6Si8
14
1
259.39
mp-1219820
-7.495161
-7.678514
1.967984
other
Sr21Hg109
130
1
3,579.88
mp-1074518
-2.890423
-7.492259
7.546099
other
Mg8Si6
14
1
275.7
mp-1250351
-3.172855
-5.135203
6.693453
other
Mg4Si8
12
1
203.78
mp-1074209
-2.570211
-5.402254
7.077772
other
Mg8Si14
22
1
401.43
mp-1245037
12.699074
7.417356
0.719804
other
Al40O60
100
1
1,118.83
mp-1245075
2.564529
2.516141
1.294595
other
Ga50N50
100
1
1,435.93
mp-1075240
-2.091271
-5.880332
7.472945
other
Mg6Si8
14
1
257.47
mp-1073750
-2.223527
-6.727721
7.605551
other
Mg12Si12
24
1
467.5
mp-1232999
6.599286
5.714808
-3.693553
other
Li1O8
9
1
112.83
mp-1080250
-4.26655
-4.929307
-3.402937
other
Ce4Se8
12
1
609.82
mp-1100713
-2.982479
-7.602562
7.517363
other
Mg8Si6
14
1
264.74
mp-1244909
12.666348
7.436267
0.690913
other
Al40O60
100
1
1,084.37
mp-1074798
-3.270322
-7.90902
7.528105
other
Mg14Si8
22
1
434.92
mp-1244984
4.624084
3.306647
-3.613468
other
Ga50N50
100
1
2,252.33
mp-684856
-2.880848
-0.945828
-4.914922
other
As24S25
49
1
1,512.07
mp-1073363
-2.582454
-5.457433
6.932517
other
Mg8Si16
24
1
467.55
mp-1245000
10.113153
12.198657
-4.288849
other
V30O75
105
1
2,079.54
mp-1423059
2.057889
2.180991
1.40201
other
Sb2N2
4
1
77.79
mp-1245074
-4.772337
-4.840679
0.056446
other
Ga50As50
100
1
2,381.37
mp-1341349
-5.520755
-2.951536
-4.255419
other
Cu9Se8
17
1
343.99
mp-1245051
12.82167
11.308465
1.988657
other
Ti39O65
104
1
1,295.45
mp-1244989
-4.696108
-1.804322
-6.705481
other
Zn50S50
100
1
2,298.27
mp-1075168
-2.137193
-5.825291
7.427472
other
Mg6Si8
14
1
258.09
mp-684626
-2.819883
-0.911895
-4.908315
other
As24S26
50
1
1,757.66
mp-1075104
-2.128096
-5.839415
7.440497
other
Mg6Si8
14
1
255.88
mp-1074856
-3.299477
-7.968896
7.491087
other
Mg14Si8
22
1
436.81
mp-694910
12.47041
11.527616
0.038445
other
Fe35O36
71
1
751.11
mp-1073451
-2.788403
-5.291526
6.959
other
Mg4Si8
12
1
205.56
mp-1074320
-2.899923
-7.44971
7.549912
other
Mg8Si6
14
1
272.7
mp-1245068
-4.589809
-1.795771
-6.659421
other
Zn50S50
100
1
2,307.45
mp-1073962
-2.647163
-7.102731
7.623665
other
Mg12Si10
22
1
419.93
mp-1178875
6.785247
6.148704
-3.992693
other
U1O11
12
1
309.16
mp-1245254
12.732892
7.383636
0.701527
other
Al40O60
100
1
1,114.57
mp-1075302
-2.167515
-5.826659
7.422655
other
Mg6Si8
14
1
264.34
mp-1074858
-3.284703
-7.887896
7.509709
other
Mg14Si8
22
1
435.44
mp-1073530
-2.59165
-5.45951
6.927959
other
Mg4Si8
12
1
239.72
mp-1074542
-2.93289
-7.465713
7.589546
other
Mg16Si12
28
1
529.58
mp-1074009
-3.436544
-8.083435
7.360948
other
Mg18Si10
28
1
561.95
mp-1245216
-4.59044
-1.791071
-6.651827
other
Zn50S50
100
1
2,286.8
mp-1245284
10.055916
12.17546
-4.280792
other
V30O75
105
1
1,896.88
mp-1075766
-2.761292
-5.300704
7.006939
other
Mg10Si18
28
1
487.74
mp-1245264
11.156163
12.047482
2.85856
other
Ta30O75
105
1
1,693.74
mp-1245220
-4.687385
-1.819222
-6.740404
other
Zn50S50
100
1
2,397.83
mp-1073665
-2.907529
-5.233615
6.88673
other
Mg4Si8
12
1
208.26
mp-557004
15.644756
5.651359
0.390837
other
Si12O24
36
1
668.61
mp-1244948
6.630433
11.189777
-1.818519
other
Co30O60
90
1
1,114.04
mp-1244943
3.228129
2.565916
0.569167
other
B50N50
100
1
1,206.34
mp-1074466
-2.883289
-7.400144
7.400916
other
Mg8Si6
14
1
285.01
mp-1074382
-2.923097
-7.449803
7.454232
other
Mg8Si6
14
1
274.38
mp-1245111
12.658731
7.453653
0.700446
other
Al40O60
100
1
1,090.12
mp-1073623
-2.532099
-5.420038
7.11433
other
Mg4Si8
12
1
219.5
mp-1245295
2.64668
2.586362
1.169091
other
Ga50N50
100
1
1,499.13
mp-685108
-4.753598
-1.658837
-5.772357
other
Cu9S5
14
1
199.14
mp-1244904
10.066937
12.200867
-4.286942
other
V30O75
105
1
1,888.86
mp-1245221
10.112172
12.15796
-4.25295
other
V30O75
105
1
1,920.12
mp-1245092
9.476235
11.710195
0.01464
other
Li68O34
102
1
1,043.22
mp-32635
-3.575511
-4.994517
0.869771
other
Sr24P16
40
122
1,222.06
mp-7582
-3.620604
-1.34374
-5.611679
other
Ge2S4
6
122
144.9
mp-684694
-4.53476
-3.769249
-3.641105
other
Yb16Se24
40
122
1,066.42
mp-32755
-5.826587
-3.871699
-1.263057
other
La16Te24
40
122
1,374.42
mp-1443423
-4.710104
0.284114
-4.807641
other
V2S4
6
122
146.55
mp-32838
-5.466817
-3.768157
-1.086245
other
Ce16Te24
40
122
1,290.54