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-677396
7.809965
8.901427
-0.550164
other
Sr16Ir8O32
56
1
938.09
mp-1224175
-4.894978
-2.865855
-4.013346
other
In3Cu1Se5
9
1
246.46
mp-1178455
10.716203
0.718686
-0.94853
other
Co10O5F15
30
1
348.62
mp-1217873
-2.764542
-2.518152
-5.853846
other
Tb12Ge5S28
45
1
977.71
mp-779882
12.727964
-1.083688
0.658249
other
Mn12O10F14
36
1
432.38
mp-759060
11.809343
-0.543102
1.179948
other
Mn12O5F19
36
1
452.98
mp-998298
8.328426
1.258397
1.32208
other
Cs1Sn1F3
5
1
117.74
mp-540169
8.713813
7.926665
-5.235085
other
Co3P4O16
23
1
309.05
mp-1245204
10.206994
12.791152
-1.335442
other
Cr16Fe16O48
80
1
1,027.24
mp-686041
10.486856
12.014426
2.496576
other
Li7Nb8O24
39
1
450.14
mp-675093
1.679903
1.805915
2.954597
other
Hf16N16O8
40
1
502.28
mp-760939
9.418499
0.768783
-0.543863
other
Cu6O1F11
18
1
199.79
mp-543091
8.410428
12.601969
-0.391215
other
Li32Co6O24
62
1
600.26
mp-764448
11.291039
2.958435
1.19093
other
V6O3F15
24
1
293.19
mp-756573
9.374369
9.970605
-1.975867
other
Cu1Te4O12
17
1
213.45
mp-807522
7.565145
4.771361
-1.652287
other
V4O5F7
16
1
208.09
mp-756101
11.933657
0.7327
-0.1134
other
Fe6O7F5
18
1
204.71
mp-1247706
6.67018
12.651112
1.192012
other
Ca32Mn32O92
156
1
1,785.24
mp-881290
7.582
5.421759
-1.596588
other
La8Ni4O17
29
1
384.04
mp-1101116
-5.261733
-1.704005
-3.183334
other
Ti1Fe2Se4
7
1
134.02
mp-781614
15.053604
12.421246
-0.789908
other
V6O7F5
18
1
205.92
mp-777458
12.793343
-1.090599
0.649386
other
Mn12O10F14
36
1
422.33
mp-767088
-3.582334
-1.375676
-5.191235
other
Li3Sb11S18
32
1
772.87
mp-530844
11.807405
8.489461
-0.135794
other
Ga23N5O27
55
1
591.06
mp-2225293
12.928087
12.20869
-0.449815
other
Mg1V2O4
7
1
83.08
mp-1357473
7.558786
5.128958
-1.750608
other
Sn16N16O8
40
1
534.97
mp-1178253
13.318558
0.471758
1.463278
other
Fe6O5F7
18
1
212.03
mp-540997
1.973604
2.687146
-4.648676
other
Fe2Te2Cl14
18
1
541.77
mp-758316
9.434474
8.543972
1.402773
other
La10Bi8O27
45
1
813.89
mp-676269
-3.332414
-2.067149
-5.034492
other
Yb12Fe6S24
42
1
993.52
mp-1360063
7.771673
4.694729
-1.611809
other
Ti16N16O8
40
1
428.7
mp-1295909
11.139692
12.884535
-3.333071
other
Mn2V2O7
11
1
139.32
mp-779980
1.683484
1.804281
2.92022
other
Hf16N16O8
40
1
502.56
mp-1179388
5.717909
5.455733
-3.522627
other
Sr4I8O8
20
1
611.36
mp-34493
8.060403
13.478084
-0.981166
other
Mg6Fe12O24
42
1
456.8
mp-1097905
8.41768
15.480178
-0.688856
other
Li12Mn16O32
60
1
659.03
mp-675634
8.377935
1.505007
0.879401
other
K1Bi2F7
10
1
165.4
mp-780192
8.667423
12.360355
-0.194385
other
Li20Fe4O16
40
1
409.76
mp-675942
6.533111
6.05876
-3.517111
other
Ag2Cl2O4
8
1
153.75
mp-685444
8.162748
13.448748
-1.05491
other
Mg11Fe30O56
97
1
1,081.08
mp-755773
12.767315
-0.212717
0.032002
other
Mn6O7F5
18
1
201.75
mp-1120824
-5.726824
-3.479067
-2.12048
other
Ge13Sb13Te32
58
1
1,882.42
mp-556076
6.347079
11.148522
0.177448
other
Sr4Co4O10
18
1
244.03
mp-685416
-4.477899
-2.274454
-3.435393
other
K24Zr18Se91
133
1
5,099.49
mp-759463
10.755572
10.136814
3.803256
other
Zr9V1O20
30
1
350.26
mp-1101185
10.187388
2.441981
0.084348
other
V6O2F22
30
1
429.48
mp-1244528
12.8153
12.755123
-0.937695
other
V12Pb2O22
36
1
407.98
mp-1100982
10.1234
9.031417
-0.947965
other
V4Bi23O44
71
1
1,214.68
mp-685874
-5.302392
1.011044
-4.341197
other
V8Mo16S32
56
1
963.58
mp-532120
7.876694
2.366693
-0.938323
other
Sb24Cl35F85
144
1
3,236.59
mp-780515
5.247404
11.824991
-2.378064
other
Fe10O16F4
30
1
327.63
mp-1100809
1.51013
2.320362
-5.052181
other
Zr3Cu6Cl18
27
1
652.58
mp-35683
8.666849
1.927772
0.628787
other
Na1P1F3
5
1
108.11
mp-785008
7.465878
4.950366
-1.447316
other
La9Er1O15
25
1
410.05
mp-1245016
10.872903
12.883895
-0.916817
other
Cr24Fe8O48
80
1
992.07
mp-1173568
-2.778562
-2.737733
-5.443598
other
Sm24Mn4S40
68
1
1,512.65
mp-755730
13.157494
0.673302
1.632196
other
Fe8O6F10
24
1
280.01
mp-1352636
7.900039
10.338885
-3.734862
other
Y4Cr12O36
52
1
720.52
mp-1094126
11.098194
10.352374
1.279586
other
Sm2Fe2O5
9
1
129.62
mp-1650178
9.649098
12.810867
-0.781908
other
Zr4Cr4O16
24
1
278.19
mp-755966
13.346439
0.478089
1.440021
other
Fe6O5F7
18
1
211.24
mp-676213
11.99949
7.8316
-3.325848
other
P6Pb5O11
22
1
465.78
mp-725609
6.391466
4.721555
-4.531194
other
C4N4O10
18
1
374.5
mp-1197224
11.526446
5.535153
-2.880079
other
Ca2B11O22
35
1
385.13
mp-626015
8.340575
5.199749
-4.016006
other
Ba2H8O12
22
1
279.65
mp-1173207
9.19707
0.676002
0.865162
other
Sr10Fe6F38
54
1
799.19
mp-1443279
7.126959
5.311921
-2.258165
other
Cr1O3F3
7
1
117.9
mp-675355
11.134436
12.384559
-3.235799
other
Sr4V6O18
28
1
371.56
mp-626573
10.391152
6.129852
-4.381895
other
Fe16H16O32
64
1
831.02
mp-760135
7.825109
14.396087
-1.093573
other
Li20Co16O32
68
1
562.97
mp-1221906
12.238528
7.731556
-4.745907
other
Mn4As4O14
22
1
277.86
mp-777880
11.793043
3.023132
0.954066
other
V8O6F18
32
1
426.69
mp-775829
1.296329
1.939296
2.739221
other
Ti16N16O8
40
1
428.39
mp-1080238
9.485806
12.65064
-1.811834
other
Mn16H16O32
64
1
708.8
mp-757860
10.689398
11.278521
-2.638146
other
K6W12O39
57
1
862.84
mp-764771
12.192907
13.466232
-1.010596
other
Li6V5O12
23
1
217.1
mp-776980
12.768388
-1.136409
0.784425
other
Mn12O10F14
36
1
428.21
mp-1100855
7.722042
9.016589
-1.47333
other
Yb16Ti8O40
64
1
850.29
mp-2240843
12.959397
10.788086
-0.41857
other
Mg1Mo4O8
13
1
210.35
mp-1359894
7.663639
4.745975
-1.631965
other
Ti16N16O8
40
1
427.75
mp-1101227
11.284317
2.949075
1.19853
other
V6O3F15
24
1
294.64
mp-625547
10.468421
6.601274
-4.434521
other
Mo2H4O8
14
1
164.96
mp-1173800
7.679066
4.884433
-5.60575
other
Na3C1O5
9
1
235.39
mp-626340
10.411641
3.762966
-4.08379
other
Ba2H32O20
54
1
495.02
mp-758647
12.5896
13.636714
-1.229899
other
Li4V11O22
37
1
422.7
mp-696839
13.342682
7.881371
-1.059301
other
Fe1Si4O6
11
1
155.58
mp-626552
10.499343
3.728308
-4.135651
other
Ca2H32O20
54
1
423.37
mp-1173595
10.507976
10.107028
3.23826
other
Sr14Nb6O29
49
1
799.5
mp-706252
8.604948
13.355215
-1.22578
other
Li8Fe40O64
112
1
1,181.66
mp-685249
8.022326
9.304798
-3.053811
other
K12Os6O30
48
1
882.63
mp-760154
12.243601
-0.927107
0.892092
other
Mn12O7F17
36
1
438.88
mp-754371
12.767301
-0.130547
-0.005725
other
Mn6O7F5
18
1
202.6
mp-1247933
8.329893
14.724668
-0.956917
other
Na5Mn7O15
27
1
337.01
mp-1101490
12.708428
7.036459
-6.597707
other
Sb9P12O48
69
1
1,032.07
mp-673801
8.576673
1.220693
1.839146
other
Ca6Nd2F18
26
1
358.71
mp-1229017
7.320537
5.072944
-5.009794
other
Bi4C12O40
56
1
888.46
mp-23487
7.569875
6.607876
-2.801577
other
K4I4O12
20
1
350.67
mp-850360
8.602901
15.180638
-1.604438
other
Mn8O13F3
24
1
249.68
mp-849399
12.072954
-0.775006
1.009695
other
Mn10O5F15
30
1
377.99
mp-752919
15.145626
12.616601
-0.857442
other
V6O8F4
18
1
200.63