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-25954
9.339611
8.086635
-6.056379
other
Co6P6O24
36
159
449.48
mp-629082
1.158065
2.017974
1.404292
other
Ba54Mo18N72
144
159
3,182.1
mp-25968
8.832742
8.026205
-5.441579
other
Ni6P6O24
36
159
438.19
mp-772164
12.204403
12.771865
-2.287051
other
Li12V18O42
72
159
924.74
mp-680210
1.265924
1.983178
1.306229
other
Ba54W18N72
144
159
3,201.32
mp-1203559
6.38266
0.355544
-3.482727
other
Ba2B24H24
50
159
545.85
mp-560717
8.506197
4.044052
-6.571308
other
Ag12C6O18
36
159
453.54
mp-680059
-0.3705
1.799364
-4.537961
other
Re12S28Cl28
68
159
1,870.59
mp-26612
10.7476
8.13376
-7.285283
other
Fe6P6O24
36
159
457.2
mp-1245586
2.075986
2.055257
1.25073
other
Ca54Te18N72
144
159
2,470.59
mp-1200414
6.378291
0.343072
-3.501988
other
Sr2B24H24
50
159
490.51
mp-1192500
2.903277
-0.536188
-1.752066
other
La2Ni10H14
26
159
216.59
mp-674339
-1.138073
2.980626
-3.056046
other
Tl12Pb2I20
34
159
1,389.63
mp-1217483
-1.577433
2.031644
-4.499869
other
Tl8Mo24Br56
88
16
2,930.78
mp-758482
9.819726
8.703428
-0.741965
other
V2Bi24O41
67
16
1,119.6
mp-1217011
-3.471528
1.831585
2.8491
other
V4B144C6
154
16
1,154.36
mp-698647
12.779507
12.801047
-0.59679
other
Li8V8O16
32
16
297.75
mp-27462
-2.441836
-0.465636
-5.460923
other
Al2P2S8
12
16
326.35
mp-998591
1.373254
2.304489
-5.363025
other
Li2Sn2Cl6
10
161
253.15
mp-29789
6.467853
5.909919
-3.597728
other
Lu2Cl6O24
32
161
446.92
mp-768348
6.429159
5.927204
-3.563722
other
Sm2Cl6O24
32
161
489.75
mp-772838
9.800906
10.451653
-3.474015
other
Er2Re6O24
32
161
608.4
mp-23501
9.181452
10.972065
-0.017984
other
Fe2Bi2O6
10
161
125.37
mp-28123
9.934369
2.271594
-3.658509
other
H14N2F8
24
161
198.18
mp-5730
13.620287
4.39402
-1.998008
other
Ba6B12O24
42
161
577.62
mp-1177470
-4.246526
-0.487994
-5.537165
other
Li6V2S6
14
161
218.13
mp-989576
0.917039
2.608592
1.884588
other
Y2W2N6
10
161
125.11
mp-754943
9.767048
8.353222
1.147921
other
Er2Bi2O6
10
161
157.85
mp-998627
12.090039
11.149461
-2.132351
other
Na2Mo2O6
10
161
119.82
mp-754009
10.256607
8.557056
1.314554
other
Sc2Bi2O6
10
161
141.54
mp-546027
10.389287
10.383619
0.317844
other
Cr2Bi2O6
10
161
118.65
mp-1198817
-3.001641
-2.225405
-5.940946
other
Gd8Si6S24
38
161
806.35
mp-5145
-4.561634
-2.382351
-3.839477
other
Ag6As2Se6
14
161
331.51
mp-1200404
11.199644
5.672063
-2.871198
other
Y2B12O24
38
161
439.03
mp-755568
10.80207
8.505126
-0.601638
other
Ga2Bi2O6
10
161
125.05
mp-780282
13.760856
4.422983
-2.317838
other
Cd6B12O24
42
161
464.17
mp-606703
-3.081331
-2.187045
-5.419768
other
Ce8Ge6S24
38
161
880.31
mp-998555
-0.508932
1.229353
-4.483898
other
In2Sn2Br6
10
161
392.54
mp-8189
11.640729
10.982031
-0.358398
other
Li2Re2O6
10
161
103.97
mp-1540546
8.136548
0.876218
1.325479
other
Rb2Pb2F6
10
161
204.39
mp-569373
-6.446377
-6.860914
3.566707
other
Li16Zn4Ge6
26
161
401.9
mp-998845
6.488377
12.206333
-1.391001
other
Tl2Ni2O6
10
161
109.32
mp-998397
1.44705
2.393022
-5.457565
other
K2Cr2Cl6
10
161
244.75
mp-569854
1.391009
2.324463
-5.234891
other
Ga6Bi10Cl24
40
161
1,302.86
mp-998553
-0.569768
1.215014
-4.487193
other
K2Ag2Br6
10
161
300.45
mp-1202024
-2.936068
-2.333086
-5.916905
other
Pr8Si6S24
38
161
860.21
mp-1195802
-2.979131
-2.304747
-5.775987
other
Sm8Ge6S24
38
161
850.51
mp-1229128
10.994828
7.525386
-3.260475
other
Ag6P2O8
16
161
218
mp-1078871
10.174117
8.808674
1.953813
other
La2Ga2O6
10
161
121.69
mp-4360
8.705866
1.015643
1.045728
other
Na2Cd2F6
10
161
141.76
mp-650031
-2.88874
-2.270254
-5.669477
other
La8Ge6S24
38
161
900.68
mp-1080058
7.567248
6.608421
-2.799013
other
K2I2O6
10
161
175.5
mp-26446
13.591089
6.700683
-5.77921
other
Sn8P6O24
38
161
708.98
mp-768308
6.904306
9.641981
-0.886036
other
La2Ag2O6
10
161
139.99
mp-3731
10.635717
12.112534
2.334598
other
Li8Nb8O24
40
161
429.06
mp-19376
11.395863
12.945312
1.014756
other
Ti2Mn2O6
10
161
106.62
mp-754513
11.849977
12.107799
1.547418
other
Zr2Mn2O6
10
161
126.52
mp-1229124
10.73542
7.944352
-2.975518
other
Ag6As2O8
16
161
231.68
mp-1202775
-2.993215
-2.310297
-5.92528
other
Nd8Si6S24
38
161
846.91
mp-1093994
-3.997193
-1.293615
-5.880219
other
Zn2Sn2S6
10
161
206.79
mp-754323
9.820311
8.402733
1.252474
other
Tm2Bi2O6
10
161
155.42
mp-998613
1.469552
2.518339
-5.724154
other
K2Ge2Cl6
10
161
313.53
mp-557044
6.437911
6.166129
-3.668647
other
Yb2Cl6O24
32
161
504.91
mp-8704
-4.627602
-2.995833
-3.699875
other
K6Sb2Se8
16
161
522.71
mp-984755
11.025133
11.865264
2.662211
other
Nb8Ag4O22
34
161
432.6
mp-1094112
8.770995
2.306855
0.433499
other
Nb2O2F6
10
161
129.65
mp-541164
10.719284
7.903958
-3.573143
other
Hg18As8O32
58
161
945.33
mp-1195147
7.349002
6.630766
-3.332039
other
La6I26O78
110
161
2,020.66
mp-1078329
6.186931
8.878765
-1.916266
other
Zn2Pb2O6
10
161
128.46
mp-542269
-2.866281
-2.383188
-5.770831
other
Pr8Ge6S24
38
161
883.03
mp-691106
10.209743
12.396396
-0.192901
other
Mn2Sn2O6
10
161
123.04
mp-551918
11.293407
8.181879
-0.399202
other
Al2Bi2O6
10
161
113.68
mp-1178162
9.762152
8.373794
1.117815
other
Ho2Bi2O6
10
161
157.66
mp-768684
6.471955
5.880889
-3.514715
other
Ce2Cl6O24
32
161
532.87
mp-989552
0.862798
2.644242
1.793343
other
La2Mo2N6
10
161
133.32
mp-680692
-3.140269
-2.205751
-5.568695
other
Ce8Si6S24
38
161
859.28
mp-998615
8.35355
1.036033
1.589371
other
Ca2Tl2F6
10
161
174.91
mp-1020631
11.628975
7.595984
-1.207395
other
Zn2Ge2O6
10
161
99.34
mp-1078470
10.544157
12.289227
1.916672
other
Ti2Zn2O6
10
161
106.48
mp-998800
-0.415529
1.214095
-4.574832
other
Rb2In2Br6
10
161
374.08
mp-998611
1.328838
2.520994
-5.776524
other
Rb2Sn2Cl6
10
161
351.02
mp-1195116
-7.518324
-3.991579
3.958467
other
Y6Ge26Pt8
40
161
762.75
mp-769152
6.52948
5.922274
-3.633651
other
Sc2Cl6O24
32
161
427.3
mp-3666
10.729321
11.78551
2.848636
other
Li2Ta2O6
10
161
105.12
mp-13334
9.882277
9.753362
0.078349
other
Zn2Sn2O6
10
161
117.57
mp-555843
-3.683784
-1.21308
-5.542272
other
Ag6As2S6
14
161
340.83
mp-23736
3.426452
-0.615845
-2.461348
other
Li2Mg2H6
10
161
92.74
mp-998748
1.497901
2.509052
-5.493365
other
Tl2Ag2Cl6
10
161
269.84
mp-1198909
13.429168
4.416684
-2.482364
other
Cd6B14O28
48
161
497.71
mp-768827
-1.253524
1.939048
-1.633604
other
Ba6Sr6I24
36
161
1,761.46
mp-998608
-0.515967
1.245227
-4.406647
other
Tl2Ag2Br6
10
161
316.12
mp-998569
1.374761
2.439391
-5.43312
other
In2Ge2Cl6
10
161
343.06
mp-1078933
3.307001
-0.732026
-2.47316
other
Na2Ca2H6
10
161
151.74
mp-998561
1.077928
2.221561
-5.870969
other
Cs2Sr2Cl6
10
161
360.01
mp-4515
-3.826845
-1.321948
-5.488708
other
Ag6Sb2S6
14
161
318.63
mp-758052
9.89739
0.367111
0.142918
other
Li2Cu2F6
10
161
100.69
mp-1176501
9.874154
8.425624
1.196346
other
Lu2Bi2O6
10
161
151.49
mp-28198
-1.270363
2.822207
-2.767159
other
Rb6In6I24
36
161
1,770.85
mp-552185
6.222447
5.097675
-4.452878
other
Ag2N2O6
10
161
125.1
mp-753677
-3.714553
-1.520918
-5.491344
other
Li6Bi2S6
14
161
282.85