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-1177647
6.172729
12.947968
-1.426762
other
Li9Ni21O36
66
1
616.46
mp-757065
9.173484
10.685514
-1.669855
other
Mn1Sb4O12
17
1
210.29
mp-626542
8.579148
3.95669
-4.303576
other
H12N4O4
20
1
233.58
mp-685371
-5.720676
-3.49312
-2.112941
other
Ge9Sb10Te24
43
1
1,413.54
mp-675021
11.527436
9.22123
2.820695
other
Nd16Zr16O49
81
1
1,209.58
mp-1234693
9.355753
13.048515
-0.957542
other
Ca1Fe8O12
21
1
255.31
mp-863430
10.211903
9.085251
0.156759
other
Zn12In8O24
44
1
580.72
mp-667309
8.677888
6.778075
-3.851932
other
Li12Se6O24
42
1
682.1
mp-762679
9.88181
9.776273
-1.981071
other
V2Te8O24
34
1
480.97
mp-2241510
11.537514
10.902189
-3.240828
other
Mg1Mo4O12
17
1
270.34
mp-753067
13.107979
0.62933
1.69342
other
Fe8O6F10
24
1
286.6
mp-774380
10.75377
0.703296
-0.972187
other
Co10O5F15
30
1
345.59
mp-1180125
6.807267
5.93258
-3.841115
other
Ni1S1O9
11
1
183.14
mp-1188270
7.975185
5.514832
-5.229819
other
Gd2S3O12
17
1
287.28
mp-672212
10.986936
11.916018
2.769015
other
Na1Nb13O33
47
1
695.02
mp-1221491
-6.980845
1.476753
-3.950749
other
Mo4Ru2Se8
14
1
305.87
mp-676414
12.290442
9.203753
1.69007
other
Al4C1O1
6
1
77.71
mp-807503
8.245957
4.524322
-1.307896
other
Cr4O1F11
16
1
198.67
mp-1245166
9.113204
13.075027
-1.253731
other
Cr4Fe28O48
80
1
981.56
mp-674374
10.13836
9.656043
0.073822
other
In11Sb3O24
38
1
467.26
mp-776958
8.591278
15.185108
-1.625074
other
Mn8O13F3
24
1
248
mp-889216
7.416114
6.007838
-2.224323
other
Mn6O10F2
18
1
186.51
mp-34015
7.474854
13.022075
-0.977499
other
Mg10Fe9O24
43
1
469.93
mp-771838
11.527463
7.792048
1.677481
other
La8Al12O30
50
1
695.22
mp-752772
8.082004
4.97827
-6.594289
other
Co4C6O18
28
1
340.5
mp-1247922
6.294155
0.137727
-3.548923
other
B40H51F3
94
1
780.53
mp-1386624
9.108359
1.916285
1.339192
other
Zn2Sn2F8
12
1
170.38
mp-1379010
10.81041
9.028553
0.809099
other
Ca4Sn4O8
16
1
269.87
mp-755787
10.935846
1.849264
2.484202
other
Fe10O1F19
30
1
378.03
mp-767145
12.518347
12.384559
-0.293256
other
Mg8V5O16
29
1
308.55
mp-764575
12.250648
-0.916438
0.905545
other
Mn12O7F17
36
1
440.74
mp-1272285
5.650853
13.675598
-1.664238
other
Na8Co4O12
24
1
263.77
mp-775866
1.887235
1.769303
2.819772
other
Zr16N16O8
40
1
523.07
mp-854026
7.581293
4.990367
-1.698935
other
Zr16N16O8
40
1
538.86
mp-760140
9.815058
1.798255
0.704183
other
Li12V6F36
54
1
670.33
mp-625687
10.25714
3.065668
-3.993515
other
H36Br4O16
56
1
584.84
mp-849592
12.812851
-1.141858
0.713868
other
Mn12O10F14
36
1
421.09
mp-2219019
12.767154
13.330017
-1.046256
other
Mg1V4O8
13
1
153.61
mp-1179642
6.165006
5.214045
-4.341441
other
S4N8O16
28
1
632.25
mp-1223580
-2.775616
-2.355327
-5.671256
other
La12Sn5S28
45
1
1,132.17
mp-1100950
12.786716
12.47363
-1.078369
other
V17Pb3O32
52
1
640.4
mp-531611
-3.403689
1.876564
2.786202
other
Mg2Al4B56
62
1
485.07
mp-622628
6.715775
7.315697
-2.609727
other
Cu2Sb1O5
8
1
636.78
mp-803450
7.878435
5.262779
-1.754069
other
V4Cr4O12
20
1
210.12
mp-1639949
7.006656
19.626232
-0.193679
other
Li7Mn5O12
24
1
220.21
mp-753738
10.945112
12.475402
-3.939976
other
V3Co1O8
12
1
229.47
mp-1101683
13.103848
12.677573
-0.692828
other
Na1V5O8
14
1
165.49
mp-1097058
8.498116
14.995408
-0.927414
other
Li18Mn36O72
126
1
1,341.28
mp-779457
3.10691
2.6297
1.373717
other
Ge8N8O4
20
1
273.62
mp-1042154
12.880363
10.216325
0.250536
other
Zn4W8O16
28
1
381.96
mp-1219132
-3.288092
0.653693
-3.377555
other
Re4Mo2Se8
14
1
303.2
mp-2216570
12.812505
-0.839666
0.405096
other
Mn8O8F8
24
1
273.37
mp-686055
9.530647
8.561623
2.912844
other
Sr6Pr8O18
32
1
601.55
mp-675766
7.408599
5.067147
-5.199216
other
K4C1O6
11
1
215.98
mp-1281117
12.618185
12.177691
0.205937
other
Nb4V4O16
24
1
309.69
mp-1233316
9.337366
13.264632
-0.922894
other
Mg1Fe8O12
21
1
228.01
mp-777061
12.90893
-0.840194
0.359994
other
Mn8O8F8
24
1
270.76
mp-1176450
12.745
-1.071611
0.697303
other
Mn12O10F14
36
1
420.25
mp-1176459
11.61186
-0.277789
1.385087
other
Mn6O2F10
18
1
232.3
mp-779788
7.992133
17.421228
-0.108369
other
Li12Mn12O24
48
1
452.58
mp-776214
1.682434
1.80584
2.953885
other
Hf16N16O8
40
1
502.23
mp-1173458
6.582561
6.445187
-3.313586
other
Rb5N1O5
11
1
308.96
mp-757488
11.583841
12.750484
0.327943
other
Ti9Fe11O30
50
1
545.33
mp-676002
8.380416
1.195351
1.85688
other
Ba2Pr1F7
10
1
183.59
mp-807999
7.876899
5.258873
-1.746171
other
V4Cr4O12
20
1
209.83
mp-675309
11.584893
7.482574
-3.576927
other
Mg9As6O24
39
1
491.76
mp-699137
6.534137
14.037621
-1.972543
other
Li4Co7O14
25
1
249.26
mp-1236154
10.425338
12.440166
-4.019819
other
Li1V4O10
15
1
278.57
mp-625572
10.259175
3.045023
-3.957241
other
H20Br4O8
32
1
348.42
mp-1069726
3.288316
3.168907
-3.87937
other
Pd1N2Cl2
5
1
120.8
mp-685363
9.843632
9.320626
-0.199963
other
Cd18Sn19O56
93
1
1,404.12
mp-1225003
-3.937033
-1.416644
-5.815436
other
In20Sn12S42
74
1
1,713.57
mp-685351
11.1682
12.966227
-0.021407
other
Ti8Fe12O30
50
1
542.6
mp-39066
8.807851
2.115623
1.911593
other
Cs2U4F18
24
1
410.97
mp-849292
13.602527
12.276538
-3.341677
original
V4O5F7
16
1
211.34
mp-2228983
10.836368
13.266229
-3.57938
other
Mg1V5O12
18
1
201.94
mp-685969
-5.918455
-3.183204
-2.653518
other
Ag8Ge1Te6
15
1
412.4
mp-1216122
10.451741
9.283114
3.689348
other
Y4Zr3O12
19
1
248.84
mp-2229031
7.751116
10.060409
-3.852518
other
Mg1Cr4O12
17
1
295.46
mp-530870
-2.640407
-2.751898
-5.60567
other
Tb24Cd4S40
68
1
1,475
mp-531358
-3.301748
-1.422387
-5.411282
other
Sr17Ta10S42
69
1
1,844.19
mp-760240
11.882454
-0.501267
1.084655
other
Mn12O5F19
36
1
438.71
mp-675250
8.365906
1.4858
0.831254
other
K2Bi4F14
20
1
358.66
mp-778904
12.714228
-0.095736
-0.054575
other
Mn12O14F10
36
1
393.72
mp-673434
7.225306
5.904794
-2.951861
other
Mo2H4O8
14
1
164.96
mp-1199861
11.014192
8.082281
-4.274318
other
Ni6As6O21
33
1
394.06
mp-755330
11.826884
0.764066
-0.176464
other
Fe6O7F5
18
1
201.55
mp-1244876
10.335855
12.540298
-1.434386
other
Cr16Fe16O48
80
1
1,143.79
mp-2229060
11.710407
11.302562
-2.215027
other
Mg1W4O12
17
1
219.21
mp-756261
9.700707
1.01922
-0.532184
other
Ni6O2F10
18
1
205.36
mp-675470
10.453998
9.84034
4.04306
other
Y1Zr9O20
30
1
352.59
mp-764751
12.735764
-0.065416
-0.054754
other
Mn12O14F10
36
1
397
mp-2215792
9.226099
8.247296
-5.978563
other
Co4P8O28
40
1
478.44
mp-1173645
8.085534
10.286123
1.91252
other
Pr8Ni4O17
29
1
424.7
mp-777314
2.526203
2.5593
1.135781
other
Sn16N16O8
40
1
516.18
mp-729272
10.486545
9.355894
-1.994265
other
Tm4Te10O26
40
1
625.76
mp-781601
8.601523
15.206054
-1.645965
other
Mn8O13F3
24
1
245.85
mp-673402
11.220619
5.23903
-4.062586
other
Ga4H4O8
16
1
133.08
mp-35889
8.554819
5.441144
-3.742009
other
K4C2O3
9
1
187.36
mp-530780
11.624454
12.748407
0.372651
other
Ti11Fe13O36
60
1
654.12