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-676801
8.429081
1.137325
1.724981
other
K7Th6F31
44
146
707.57
mp-542832
9.573236
8.48694
3.180938
other
Ba3Lu4O9
16
146
254.94
mp-33872
8.725475
1.374897
1.318205
other
Na7Zr6F31
44
146
544.4
mp-773026
10.125151
12.917803
1.211016
other
Ti12Fe5O32
49
146
601.7
mp-1221281
-1.285285
2.165632
-2.297389
other
Na2U1I6
9
146
397.41
mp-773001
8.686967
6.159324
-6.016662
other
Cr3S6O24
33
146
442.38
mp-1219403
-2.825749
-2.492982
-5.822239
other
Sm18Ga10S42
70
146
1,564
mp-772225
8.245564
6.486158
-5.639731
other
Fe3S6O24
33
146
455.91
mp-1228473
-8.360739
-4.355089
2.510849
other
Al3Ge1Pd4
8
146
119.84
mp-1193181
7.28503
8.170428
-3.283195
other
Al2P4O22
28
146
400.09
mp-540665
-4.813124
-2.686455
-3.839548
other
Cu7As6Se13
26
146
618.6
mp-756270
13.717614
4.273617
-1.65465
other
Lu4B6O15
25
146
344.95
mp-1215640
-4.91814
-1.161517
-5.98637
other
Zn4Fe2S6
12
146
240.42
mp-774263
12.211174
12.148561
1.841904
other
Li13Ti28O56
97
146
1,061.34
mp-1217003
-2.776813
-2.313804
-5.913177
other
Tm18B10S42
70
146
1,350.72
mp-654759
8.608271
10.409681
-1.493872
other
Fe1Bi1O3
5
146
119.28
mp-674504
8.196442
11.342078
1.950207
other
La13Mn14O42
69
146
756.75
mp-1021490
8.876077
2.204869
1.480153
other
Sn4S1F6
11
146
223.88
mp-1223486
-4.260406
-4.016728
-3.834678
other
La18Al10Se42
70
146
1,866.01
mp-1101518
13.597214
6.91234
-6.024781
other
Sn2P6O18
26
149
420.78
mp-759739
11.512021
2.998593
1.249511
other
V6O3F15
24
149
281.85
mp-757163
9.733862
1.784928
-0.082105
other
Li1V1F6
8
149
98.75
mp-766360
7.286161
10.056538
0.782297
other
La6Cu6O17
29
149
414.13
mp-685705
0.555194
1.7189
2.531783
other
Mn17Nb31N48
96
149
995.69
mp-1409171
-8.572175
-5.715361
3.900497
other
Nd3In3Pd3
9
150
219.28
mp-2717324
8.65258
3.65126
-7.038541
other
Ca3C3O9
15
150
185.5
mp-556024
8.758737
1.245364
1.105944
other
Na6Ti3F18
27
150
363.49
mp-758832
7.771572
4.9772
-6.122226
other
Co6C6O21
33
150
518.6
mp-540842
11.766838
9.135759
1.719174
other
U6Co3O18
27
150
364.13
mp-1210356
8.598275
1.29301
-0.347451
other
Na6Pd3F18
27
150
371.89
mp-752439
-1.256862
1.962518
-1.670405
other
Ba3Sr6I18
27
150
1,367.16
mp-540841
11.776114
9.289344
1.634247
other
U6Ni3O18
27
150
364.69
mp-1195008
-2.744742
0.553075
2.630558
other
Dy15Fe8C26
49
150
632.72
mp-28200
10.869552
11.818773
2.72099
other
La2Nb14O38
54
150
709.76
mp-766313
-1.215787
1.932082
-1.780867
other
Ba3Ca6I18
27
150
1,245.94
mp-557773
10.474545
9.411394
0.676572
other
Sc6Te3O18
27
150
320.68
mp-29787
7.928678
9.933053
0.984094
other
Ba15Pt6O27
48
150
815.79
mp-755515
10.018498
9.332048
0.784351
other
Lu6Te3O18
27
150
345.34
mp-752936
10.00561
0.386997
-0.239133
other
Li6Mn3F18
27
150
271.39
mp-1192379
8.484676
1.280948
0.080441
other
Na6Pt3F18
27
150
378.5
mp-4829
8.615985
1.222486
1.652202
other
Na2Th1F6
9
150
115.89
mp-885521
5.229753
12.036708
-2.476632
other
Fe6Co3O18
27
150
268.74
mp-614803
9.691654
8.585864
-1.189376
other
Cs4Te2O6
12
150
319.36
mp-752695
-1.192291
2.009606
-1.912344
other
Sr3Ca6I18
27
150
1,184.84
mp-1193269
9.162559
1.59372
0.792999
other
Li6Si3F18
27
150
255.97
mp-9380
11.713297
7.421634
-0.890687
other
Sr3Ge12O27
42
150
535.89
mp-18191
7.983672
9.042216
-2.756399
other
Tl6Te3O18
27
150
362.99
mp-504908
9.847507
9.954765
-1.263362
other
In6Te3O18
27
150
334.24
mp-3775
8.981728
1.292533
1.259092
other
Na6Si3F18
27
150
333.34
mp-541156
11.654917
7.486334
-1.043231
other
Ge12Pb3O27
42
150
558.72
mp-1100377
-3.513844
-1.435881
-5.640567
other
Ca3Sn12S27
42
150
1,138.71
mp-541581
9.376348
4.890412
-6.026474
other
K6S6O18
30
150
512.65
mp-1104872
1.599765
2.658738
-5.726143
other
Cs3As2Cl9
14
150
453.23
mp-3404
9.383372
4.796747
-6.171238
other
Rb6S6O18
30
150
572.75
mp-754341
9.997658
9.307024
0.470326
other
Ho6Te3O18
27
150
362.11
mp-14192
9.142667
2.052516
1.973969
other
Na2U1F6
9
150
112.29
mp-772191
10.075868
9.302565
0.520604
other
Tm6Te3O18
27
150
353.05
mp-753326
8.510856
1.163642
-0.366848
other
Li1Ag2F6
9
150
125.04
mp-1104268
1.396895
2.717898
-5.951578
other
Cs3Bi2Cl9
14
150
486.38
mp-3848
11.724646
7.381978
-0.843389
other
Ba3Ge12O27
42
150
562.04
mp-757174
11.063515
-0.313731
0.686189
other
Li3Mn6F18
27
150
297.72
mp-5368
9.062415
1.461025
0.660371
other
Li6Ge3F18
27
150
272.78
mp-759747
6.245696
11.401525
0.299231
other
Sr12Ni9O27
48
150
617.86
mp-1205754
8.751267
1.128325
1.603962
other
Na2Ce1F6
9
150
111.21
mp-770556
8.895807
13.902311
0.053644
other
Li36Mn12O36
84
150
785.87
mp-859128
-1.272976
1.917271
-1.623204
other
Ba6Ca3I18
27
150
1,395.03
mp-8504
7.634075
8.733199
-2.524533
other
Yb6Te3O18
27
150
396.29
mp-17297
8.791155
1.28061
1.127161
other
Na6Ge3F18
27
150
353.25
mp-765566
8.584944
1.062802
-0.364831
other
Li3Ag6F18
27
150
360.14
mp-1079322
0.559193
1.89929
-4.363811
other
Hg4Br4N2
10
150
278.97
mp-36836
7.649234
10.689512
1.230905
other
Sr12Ru6O27
45
150
651.71
mp-756238
-1.198527
1.991386
-1.819707
other
Sr6Ca3I18
27
150
1,249.19
mp-755376
10.111917
9.262317
0.557181
other
Er6Te3O18
27
150
357.55
mp-22576
9.901218
11.310059
-0.726511
other
Mn6Sb12O36
54
150
637.52
mp-755317
9.989446
9.300759
0.667834
other
Y6Te3O18
27
150
367.96
mp-1247832
-1.932148
0.534929
2.389431
other
Al17B6C18
41
150
474.44
mp-558546
9.349705
4.894194
-6.015647
other
K6S6O18
30
150
531.66
mp-752671
-1.292305
1.932361
-1.567184
other
Ba6Sr3I18
27
150
1,428.72
mp-769039
9.989921
9.249106
0.32193
other
Dy6Te3O18
27
150
366.41
mp-567196
1.49012
2.697167
-5.871796
other
Cs3Sb2Cl9
14
150
472.24
mp-676361
1.297818
1.991615
-5.364789
other
Li9Er3Cl18
30
150
632.34
mp-778052
9.949427
9.257544
0.34336
other
Sm6Te3O18
27
150
387.76
mp-765403
6.311409
10.184079
-1.904924
other
Co3Bi6O18
27
150
334.99
mp-570857
1.721529
2.271956
-5.069001
other
Y3Al9Cl36
48
151
1,537.2
mp-28714
1.685611
2.25334
-5.080967
other
Dy3Al9Cl36
48
151
1,534.75
mp-1211187
7.306942
12.869809
-1.302482
other
Li15Os3O18
36
151
304.73
mp-1211142
9.510834
10.834434
-1.338589
other
Li15I3O18
36
151
316.35
mp-29844
1.664288
2.26022
-5.099478
other
Tb3Al9Cl36
48
151
1,541.23
mp-1204859
5.626368
-0.273256
-3.142991
other
Mn9B18H72
99
151
1,004.69
mp-554540
8.307642
13.3338
-1.061393
other
Li15Re3O18
36
151
306.14
mp-29796
1.685122
2.24127
-5.050242
other
Ho3Al9Cl36
48
151
1,531.98
mp-560316
9.632165
6.91917
-4.083065
other
Hg9S3O18
30
152
443.58
mp-680248
5.688195
3.346569
-4.69502
other
Os15C48O48
111
152
1,897.95
mp-1213400
6.125832
5.150822
-4.468818
other
Dy3N21O45
69
152
1,040.38
mp-28205
10.14155
11.110783
-2.416739
other
Na9Re3O15
27
152
353.64
mp-616521
4.677191
2.361917
-3.261337
other
Ag3C6N9
18
152
270.02
mp-1246189
0.46059
2.717807
1.714998
other
Co6Ag3N9
18
152
182.05
mp-530331
-6.056143
-3.457636
-2.117799
other
Al36Sn6Te60
102
152
3,408.04
mp-1247312
2.833442
2.408485
1.622005
other
Si6Ag3N9
18
152
181.96
mp-19109
10.700222
7.934268
-6.85691
other
Fe3P3O12
18
152
248.88