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-1222759
-2.519378
0.327939
2.448227
other
La1U3C8
12
148
168.61
mp-1079559
-3.914561
-2.495796
-3.583259
other
Cd2P2Se6
10
148
261.69
mp-2647071
8.411855
1.497986
-0.821826
other
Li1Zn1F6
8
148
95.85
mp-35109
-5.656719
1.389404
-4.707072
other
Ag1Mo6S8
15
148
278.72
mp-1232360
-4.298981
-4.209584
-3.742486
other
Ce6Mg6Se18
30
148
833.39
mp-976401
-5.334521
-1.823519
-2.7407
other
Ge12Rh8Se12
32
148
633.85
mp-776767
9.889342
2.531344
2.106131
other
Li12V6F24
42
148
551.01
mp-756123
10.257619
9.292799
3.042695
other
Tm6W1O12
19
148
243.61
mp-4482
9.805412
9.986517
-0.696217
other
Na2Sb2O6
10
148
128.83
mp-1219252
8.486027
1.312012
0.812792
other
Sc1Tl1F6
8
148
121.07
mp-1104922
-5.683537
1.394802
-4.808659
other
Sb1Mo6S8
15
148
280.85
mp-867658
7.770561
11.761393
2.205262
other
La14Mn13O42
69
148
857.83
mp-1217851
-6.151118
-3.112978
-2.213821
other
Tb2Cu6Te6
14
148
337.43
mp-768171
-3.806512
-1.34383
-5.577229
other
Li8Sb1S6
15
148
258.14
mp-4608
8.628602
1.838409
-0.53856
other
K1P1F6
8
148
102.15
mp-1101394
11.935287
8.999877
-0.570855
other
Sn2Ge2O6
10
148
157.21
mp-760109
9.931785
4.752991
-6.866343
other
Bi4S6O24
34
148
565.62
mp-754318
8.160693
14.448083
-0.982927
other
Mn2Zn2O6
10
148
97.49
mp-1104068
-6.948805
1.350985
-4.128496
other
Lu1Mo6Se8
15
148
308.72
mp-1445082
8.369438
1.591948
0.640262
other
Ca1Sb1F6
8
148
146.55
mp-752569
9.733047
8.485119
3.032945
other
La6Sc2O12
20
148
334.7
mp-602659
8.227848
2.338975
-0.891334
other
H6Xe6F42
54
148
1,027.48
mp-558864
9.080927
1.507668
-0.322605
other
Cr1Hg1F6
8
148
106.82
mp-5336
-5.827041
1.619885
-4.846555
other
Sn1Mo6S8
15
148
284.95
mp-22189
10.040016
9.658496
-0.310839
other
In6Te1O12
19
148
234.57
mp-1203027
-7.737302
-2.747897
4.960139
other
Ga40Ag1Mo8
49
148
875.62
mp-1217185
-4.176754
-0.099997
-4.464395
other
Ti3Co1S6
10
148
171.72
mp-5883
-6.986003
1.430448
-4.240653
other
Cs2Mo12Se14
28
148
698.48
mp-3118
10.042665
9.727492
-0.179438
other
Mg6Te2O12
20
148
219.83
mp-1391273
9.113972
1.1932
-0.653463
other
Zn1Ni1F6
8
148
88.92
mp-38564
-5.633965
1.126528
-4.603485
other
Ce1Mo6S8
15
148
278.72
mp-28675
12.456099
11.062685
2.420495
other
Ba2Nb15O32
49
148
640.28
mp-570152
-5.263782
-2.198239
-2.696075
other
Co8Sn12Se12
32
148
664.38
mp-7921
8.745253
1.443319
-0.542227
other
Mg1Pd1F6
8
148
94.98
mp-675614
-4.736604
-2.905841
-3.92159
other
K2In12Se19
33
148
1,033.77
mp-753992
6.509137
13.048854
-1.955093
other
Co2Ag2O6
10
148
112.72
mp-1105059
-6.746546
1.364699
-4.133583
other
Mn1Mo6Se8
15
148
299.12
mp-1104894
-6.812168
1.419295
-4.059788
other
Cu1Mo6Se8
15
148
306.15
mp-1204344
-7.741124
-2.731569
4.991336
other
Ga40Cu1Mo8
49
148
874.75
mp-1225702
-5.21598
-1.064737
-4.295828
other
Cu1Ni3S8
12
148
182.86
mp-1232390
-4.548849
-3.785166
-3.91549
other
Yb6Mg6Se18
30
148
766.9
mp-1198887
-8.851873
1.612214
-3.386546
other
Cs6Te26Mo24
56
148
1,713.42
mp-685767
-4.677851
-1.041241
-2.873607
other
Ta24Ti5Se48
77
148
1,675.62
mp-3779
-5.975457
-3.117819
-2.115454
other
Cr2Si2Te6
10
148
293.25
mp-29934
8.785382
1.611237
1.088262
other
Zr6Ag7F31
44
148
547.21
mp-14410
7.310881
9.365885
-1.777415
other
Tl6Te1O12
19
148
259.5
mp-998755
1.033905
2.05961
-5.654921
other
Rb2Sr2Cl6
10
148
364.2
mp-1232226
-2.954246
-2.315792
-5.792684
other
Mg6Sc6S18
30
148
632.48
mp-29339
1.309716
2.251875
-4.008862
other
Lu1Nb6Cl18
25
148
649.17
mp-1198146
-6.955543
1.434468
-4.209247
other
Tl4Mo18Se22
44
148
1,024.25
mp-557023
9.623302
2.611223
1.691892
other
Nb1V1F6
8
148
113.27
mp-1232358
-2.925184
-2.345255
-5.805226
other
La6Mg6S18
30
148
746.94
mp-623087
-3.837271
-0.735062
-2.745306
other
Re6Te14Br14
34
148
1,155.24
mp-20076
9.056433
1.114089
-0.413828
other
K1Cr1F6
8
148
109.26
mp-17159
7.969143
10.349489
-3.67358
other
Li12Cr6O24
42
148
520.2
mp-554025
6.742995
3.096735
-3.368423
other
S6N6F6
18
148
316.16
mp-625468
11.450011
4.338782
-3.537944
other
Lu4H12O12
28
148
264.6
mp-1217143
-4.001409
-0.136616
-4.499792
other
Ti3Ag1S6
10
148
195.56
mp-1232200
-4.468473
-4.06331
-3.94978
other
Pr6Mg6Se18
30
148
857.33
mp-752681
7.387529
9.468466
0.176653
other
Eu6W1O12
19
148
281.14
mp-1195612
-2.368983
0.33851
2.441849
other
La22Mn6C36
64
148
1,070.74
mp-867796
12.208361
11.090851
-1.215299
other
Na6W7O21
34
148
433.58
mp-685871
-6.328938
-3.495188
0.75538
other
Pr4Fe20Sb60
84
148
1,914.48
mp-5924
12.552825
7.077417
-0.781465
other
Mg2Si2O6
10
148
90.81
mp-561017
-4.610302
-6.766864
1.408033
other
Cs8Tl8O1
17
148
759.58
mp-27176
1.529155
2.39711
-5.492218
other
Na2Mn2Cl6
10
148
231.15
mp-1080622
8.296732
1.490051
-0.557697
other
K1Rh1F6
8
148
113.05
mp-1189869
-0.275593
0.429047
-3.267219
other
Sc7Co1Br12
20
148
540.22
mp-1195837
-7.757256
-2.761672
4.94708
other
Ga40Mo8Au1
49
148
874.48
mp-1232201
-4.503891
-4.035728
-3.925397
other
Sm6Mg6Se18
30
148
824.46
mp-1178420
6.207217
11.259934
-1.62949
other
Co4Pb4O12
20
148
254.27
mp-669350
-6.099949
1.486884
-4.771092
other
Rb10Mo36S38
84
148
1,893.75
mp-1189645
-0.240915
0.520906
-3.036923
other
Tb7Rh1Br12
20
148
651.15
mp-19158
11.509865
12.348709
-0.681438
other
Mn6W2O12
20
148
234.7
mp-1203934
6.452151
5.923278
-3.876093
other
Re6S8O18
32
148
785.32
mp-26062
9.515759
8.090112
-6.297581
other
Mn4P6O24
34
148
427.54
mp-35659
8.32016
1.367985
-0.341915
other
Hg1Pb1F6
8
148
126.94
mp-21836
-4.745939
-2.947783
-3.926239
other
K4In24Se38
66
148
2,035.61
mp-8610
8.878847
12.296353
-0.269957
other
Li8Pt1O6
15
148
125.28
mp-1105074
-6.728501
1.348921
-4.097312
other
V1Mo6Se8
15
148
298.61
mp-13903
8.783537
1.48333
0.42065
other
Zn1Sn1F6
8
148
105.4
mp-1201507
11.392036
7.395176
-1.894251
other
Ge6Pb6O20
32
148
539.61
mp-1189852
0.664645
1.179844
-3.71244
other
Sc7Co1Cl12
20
148
467.94
mp-1224454
-4.163375
-0.778206
-4.444642
other
Hf3Co1S6
10
148
190.22
mp-1079032
7.26892
7.343882
-3.532203
other
Ag2I1O6
9
148
139.24
mp-1103859
-5.821428
1.56199
-4.756447
other
Tl1Mo6S8
15
148
295.56
mp-866481
-6.214734
-2.72238
-0.951991
other
Co8Sn12Te12
32
148
761.6
mp-1386276
10.036675
0.589989
-0.146828
other
Mn1Zn1F6
8
148
92.31
mp-1237814
8.132238
2.353398
-0.66539
other
Sn2N2F6
10
148
203.97
mp-752541
8.283509
4.318921
-6.938167
other
V4C8O24
36
148
458.36
mp-19361
9.596071
5.047925
-6.915508
other
Cr4S6O24
34
148
419.2
mp-1201691
10.45019
9.272451
-2.101656
other
Mn2Te12O26
40
148
583.03
mp-13993
-4.232319
-0.12925
-4.392971
other
Ti3Ni1S6
10
148
171.26
mp-1178563
11.230317
8.196845
-3.794708
other
Ag2As2O6
10
148
119.28
mp-754980
11.681199
12.203662
1.41974
other
Zr2Mn2O6
10
148
127.75
mp-1104078
-5.707645
1.208827
-4.641225
other
Y1Mo6S8
15
148
272.82
mp-1232357
-4.4987
-4.047606
-3.949586
other
Nd6Mg6Se18
30
148
842.41
mp-754227
-3.688235
-1.1936
-5.490006
other
Li8Nb1S6
15
148
243.41
mp-20798
12.792424
8.293342
-1.050787
original
Mn2Ge2O6
10
148
104.25
mp-756093
9.711337
9.143137
0.240623
other
Na12Nb1O7
20
148
362.24