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-627606
10.710338
6.099565
-4.636722
other
V6H12O20
38
1
465.02
mp-676229
6.534368
6.504022
-3.28737
other
Rb5N1O5
11
1
319.77
mp-1411248
11.103821
9.139126
0.753283
other
Mg4Sn4O8
16
1
248.81
mp-35769
8.628144
1.219439
1.82139
other
Sr8Lu6F34
48
1
619.15
mp-1044897
10.794
9.392504
-0.520974
other
Zn6Sb12O24
42
1
699.98
mp-686615
13.407125
5.664932
-6.849454
other
Al18P18O72
108
1
2,834.1
mp-849483
13.362441
0.428527
1.212107
other
Fe10O9F11
30
1
352.48
mp-781010
10.989845
1.94543
2.520327
other
Fe7O3F9
19
1
242.91
mp-757331
9.9234
8.45812
3.105881
other
Gd6Y10O24
40
1
609.69
mp-676206
-1.252908
2.916805
-3.044967
other
Rb4Ag16I20
40
1
1,576.43
mp-677097
11.506583
12.772146
0.25531
other
Ti7Fe9O24
40
1
434.32
mp-677654
8.299173
13.199726
-1.17653
other
Zn11Fe22O44
77
1
939.22
mp-764058
10.829349
12.543336
-4.55556
other
V4O7F5
16
1
191.55
mp-531963
9.790184
8.661255
3.227432
other
Ce14Y18O55
87
1
1,277.99
mp-757379
7.302799
11.885595
1.996099
other
La9Mn9O30
48
1
589.79
mp-760116
11.091929
12.708274
-0.637553
other
Fe31Si5O48
84
1
936.13
mp-753197
10.546551
11.458776
2.983869
other
Hf4Ti4O16
24
1
275.92
mp-851274
8.264524
10.933189
-3.472452
other
Li9Cr19O48
76
1
889.07
mp-1202883
5.398566
-0.430365
-2.999689
other
Mg4B8H28
40
1
669.61
mp-1209207
7.861614
7.331431
-3.943351
other
Rb3Se3O12
18
1
343.12
mp-1274758
11.79839
13.281568
-1.819028
other
Ti4V4O16
24
1
279.87
mp-849409
11.783519
3.028198
0.952742
other
V8O6F18
32
1
424.52
mp-753845
7.263124
11.281958
-0.836151
other
Li4Cu4O8
16
1
183.26
mp-754609
11.382462
2.952029
1.31494
other
V6O3F15
24
1
297.21
mp-756029
1.885092
1.758946
2.781332
other
Zr8N8O4
20
1
265.18
mp-1173448
-2.028722
0.810975
-3.702993
other
Re12Se8Cl20
40
1
1,120.8
mp-756819
12.443185
13.396528
-1.431405
other
Ba1V8O16
25
1
304.37
mp-849517
12.779412
-1.101205
0.721685
other
Mn12O10F14
36
1
425.1
mp-755640
13.757222
12.242487
-3.387097
other
V4O5F7
16
1
194.59
mp-760078
10.530126
12.027825
2.52724
other
Ba4Ti11O26
41
1
555.06
mp-1380484
9.455104
7.955469
-5.929442
other
Fe4P8O28
40
1
572.99
mp-675492
8.500883
1.283963
2.052941
other
Sr1La5F17
23
1
335.74
mp-531223
7.726542
11.859426
2.160873
other
La17Mn18O54
89
1
1,104.12
mp-1182700
10.550335
6.306952
-4.101491
other
Fe16H16O32
64
1
641.44
mp-1316353
6.72029
19.635384
-0.345185
other
Li10Mn6O16
32
1
284.47
mp-625961
9.016842
5.115828
-4.080834
other
H20I4O24
48
1
482.07
mp-817649
7.446795
5.187711
-1.687421
other
Ba16Co14O38
68
1
1,055.59
mp-1196481
10.24209
9.278793
-1.943298
other
Sr6Te8O22
36
1
630.83
mp-676779
8.533174
1.234758
1.88508
other
Na1Ho2F7
10
1
141.63
mp-850996
5.146852
11.35481
-2.292259
other
Fe8O14F2
24
1
258.39
mp-774995
12.084076
1.179927
2.623068
other
Fe10O4F16
30
1
370.08
mp-780801
13.355147
0.420328
1.196376
other
Fe10O9F11
30
1
351.91
mp-1045943
11.184394
9.298171
0.064863
other
Zn4Sn4O8
16
1
272.86
mp-674646
9.625354
8.634695
-0.002161
other
Ca4Bi6O13
23
1
405.53
mp-1173743
11.562818
9.075827
1.894902
other
Na2U1O3
6
1
118.18
mp-776336
1.303174
1.874027
2.743014
other
Ti16N16O8
40
1
427.75
mp-532526
7.261751
12.989052
-1.2028
other
Li24Pd12O36
72
1
686.37
mp-1178402
12.100272
1.186972
2.630211
other
Fe10O4F16
30
1
371.58
mp-760014
8.616211
1.807368
0.411152
other
Li16Sb16F64
96
1
1,597.35
mp-758210
10.102094
12.603804
-4.057025
other
V12Cu2O30
44
1
558.01
mp-753458
11.659131
12.876983
0.084817
other
Ti1Cr7O12
20
1
206.93
mp-1179566
4.490408
3.27492
-4.00377
other
Sb1S4N3
8
1
208.38
mp-1386730
7.680251
5.008888
-1.692517
other
V4O5F7
16
1
208.09
mp-780702
12.777149
-1.165282
0.830595
original
Mn6O5F7
18
1
216.28
mp-1362216
7.527883
4.689485
-1.771146
other
Hf16N16O8
40
1
512.67
mp-2219306
5.852809
12.086921
-1.904103
other
Mg1Fe4O8
13
1
182.63
mp-1173227
9.587422
8.421653
2.914622
other
Sr6Nd8O18
32
1
571.51
mp-686087
1.218577
2.284287
-3.979499
other
Li9Nb48Cl120
177
1
4,630.21
mp-776966
2.551733
2.558688
1.114932
other
Sn16N16O8
40
1
533.65
mp-1173850
-3.426872
-4.75958
0.798363
other
Na24Ga4P12
40
1
897.81
mp-690578
-5.42313
-2.472535
-1.503153
other
Nb2Si1Te4
7
1
185.78
mp-2224458
10.476561
13.118108
-3.695543
other
Mg1V4O10
15
1
158.94
mp-531041
7.927451
13.442341
-1.087446
other
Mg10Fe20O40
70
1
721.12
mp-1217872
7.218567
7.001663
-4.272291
other
Y2V10O53
65
1
985.7
mp-675648
7.496387
8.488379
-0.406797
other
Pr9Be4O20
33
1
456.4
mp-625154
10.082889
3.873417
-4.06631
other
H16Pt2O12
30
1
233.51
mp-684007
-4.811891
-6.577439
2.544959
other
Ba38In18N18
74
1
2,403.54
mp-1369164
8.643027
3.02128
-0.562617
other
Fe7O3F13
23
1
335.58
mp-764466
11.825714
-0.539791
1.170128
other
Mn12O5F19
36
1
452.75
mp-1182431
10.389497
6.092507
-4.376946
other
Fe16H16O32
64
1
794.12
mp-763609
8.658637
15.189804
-0.531315
other
Li4Mn5O10
19
1
190.21
mp-676169
8.705595
7.131798
-3.57845
other
Hg9Se3O18
30
1
495.69
mp-752857
10.207577
2.42892
0.081349
other
V3O1F11
15
1
231.91
mp-677056
-1.29168
2.182272
-2.286243
other
Na6U3I18
27
1
1,226.49
mp-2219120
5.780744
11.996867
-1.912704
other
Mg1Fe4O8
13
1
177.3
mp-777823
12.262204
-0.910171
0.926094
other
Mn12O7F17
36
1
441.34
mp-676191
10.716623
9.342048
3.318695
other
Sc11Nb3O24
38
1
436.9
mp-1443175
7.654591
5.09138
-1.59867
other
Li1V3O6
10
1
103.18
mp-675004
10.930173
7.79741
-1.672505
other
Ge6Bi7O22
35
1
608.72
mp-753007
12.811665
-1.188708
0.79422
other
Mn6O5F7
18
1
211.67
mp-766249
9.339561
8.264574
-0.458893
other
Bi24Br10O31
65
1
1,310.4
mp-2218928
12.723642
12.80066
-1.287897
other
Mg1V4O8
13
1
155.03
mp-772389
7.099875
10.191822
0.161138
other
Ba18Rh16O54
88
1
1,323.39
mp-1297722
6.465084
14.295507
-1.821099
other
Li6Co8O16
30
1
279.76
mp-765639
9.920499
8.396966
3.063474
other
Sm11Y5O24
40
1
636.15
mp-757662
8.5436
14.020832
-1.105497
other
Mn6Fe10O24
40
1
439.57
mp-1094102
6.23909
12.825481
-2.333192
other
Ti8Co24O64
96
1
1,062.25
mp-754167
11.143129
-0.200393
0.67867
other
Mn5O1F11
17
1
237.05
mp-675449
8.261586
2.647151
-0.910679
other
Pt4O9F24
37
1
659.45
mp-734027
7.802647
7.116329
-4.605213
other
S8N12O32
52
1
919.61
mp-1041391
12.817829
10.135287
0.341115
other
Mg6W12O24
42
1
552.7
mp-777687
12.079203
1.176581
2.601249
other
Fe10O4F16
30
1
370.77
mp-744274
13.459772
7.533556
-1.104994
other
Fe1Si4O6
11
1
189.51
mp-626279
10.469789
3.715034
-4.138279
other
Ca2H32O20
54
1
424.88
mp-767781
7.749386
11.587553
2.07287
other
Sr16Mn8O29
53
1
734.1
mp-625661
10.269409
3.080374
-4.012141
other
H36Br4O16
56
1
559.4
mp-1182534
7.329487
7.563137
-4.182164
other
Fe4As3O23
30
1
498.2
mp-676763
9.191609
2.094071
-2.038878
other
Sb5H35F55
95
1
1,067.46
mp-757304
11.175735
11.510509
0.725389
other
Sr16V12O39
67
1
874.01
mp-997515
9.208564
13.320315
-1.063527
other
Li2Fe16O24
42
1
456.24