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-1214922
8.442815
1.816076
-0.722035
other
Ag2Pt2F12
16
2
215.64
mp-770696
11.846389
8.095088
-8.206121
other
Mn7P6O24
37
2
420.38
mp-1207592
-7.903687
-3.920182
4.349566
other
Yb4Al24Pt9
37
2
639.93
mp-1411223
3.218809
3.275485
-4.196412
other
Pt2N4Cl4
10
2
235.14
mp-4428
12.663367
6.336812
-0.398752
other
Ca6Si6O18
30
2
390.24
mp-1191377
10.256255
11.179337
-2.665115
other
Na4W4O15
23
2
325.1
mp-1209481
10.839037
10.441575
-1.41281
other
Rb24W6O30
60
2
1,216.08
mp-1101687
-1.185844
1.937352
-1.74927
other
Sr18La10I66
94
2
3,744.54
mp-1205089
7.629382
8.339252
-2.841708
other
Ca8Si4O24
36
2
519.08
mp-1209022
7.650483
8.642203
-1.731447
other
Yb6Np1O12
19
2
436.54
mp-752452
10.421339
9.459956
-1.916795
other
Mg6Te8O22
36
2
515.4
mp-540878
10.95729
10.266914
1.596004
other
La6Re4O18
28
2
390.64
mp-532249
12.723361
10.976623
1.683952
other
Na22Ti20O42
84
2
916.01
mp-1193541
-2.83249
-0.062721
-3.034248
other
Te14Rh2Cl14
30
2
957.54
mp-26860
12.341071
7.876163
-7.469501
other
Fe3P4O14
21
2
262.05
mp-772925
10.644874
12.547749
1.866441
other
Li8Ti10O24
42
2
463.97
mp-675134
11.864663
10.037031
2.425953
other
Sr5Ti5O13
23
2
309.15
mp-1193198
8.086321
6.346077
-4.284149
other
Ca2B6O20
28
2
401.12
mp-1182572
6.698007
6.115179
-3.817011
other
Ba2Sn1O16
19
2
363.11
mp-757173
10.763954
9.286725
-0.56739
other
Sb10O14F2
26
2
510.38
mp-753422
9.39659
8.782489
1.859539
other
Ba5In5O12
22
2
390.48
mp-1279343
6.411122
13.227034
-2.001517
other
Co2Ni2O6
10
2
94.76
mp-28230
-3.594446
-1.674512
-5.263017
other
Tl4Sb4S8
16
2
446.25
mp-776524
10.291796
1.74948
2.11826
other
Li14Fe14F42
70
2
894.24
mp-567775
-1.012313
0.922239
-1.554293
other
La10C4I15
29
2
1,066.51
mp-1175443
4.232311
19.569532
-1.7797
other
Li9Co7O16
32
2
288.19
mp-760035
5.986111
12.386131
-1.404018
other
Na6Ni4O10
20
2
204.02
mp-26728
12.471348
9.007986
-7.473809
other
V2P4O14
20
2
250.07
mp-766409
-3.685476
-1.478465
-5.512718
other
Li24Bi8S24
56
2
1,313.37
mp-763418
5.578264
10.290575
-2.29482
other
Li2Fe3O10
15
2
177.94
mp-1189825
-0.228514
0.507872
-3.007653
other
Tb6Rh1Br10
17
2
547.19
mp-1175351
6.902724
19.871899
-0.192744
other
Li14Mn10O24
48
2
439.99
mp-31369
13.767952
4.328199
-1.998492
other
Gd4B8O18
30
2
281.41
mp-16882
11.520833
10.913824
-3.803662
other
Zn6Mo6O24
36
2
516.64
mp-758665
7.901896
10.330054
-3.7104
other
Li4Cr2O8
14
2
185.68
mp-769418
11.426161
12.829179
0.186518
other
Ti12Fe16O42
70
2
764.69
mp-1290794
6.745749
19.531193
-0.353068
other
Li10Mn6O16
32
2
285.47
mp-1101552
9.253435
7.809161
-5.6057
other
Fe2P8O26
36
2
581.14
mp-1047492
12.648554
10.762785
-0.645816
other
Y1W3O8
12
2
162.5
mp-771703
11.141562
8.030643
1.918859
other
La6Al6O18
30
2
426.79
mp-1180053
9.384301
10.244888
-3.839365
other
Ni1Mo4O15
20
2
295.54
mp-1100512
7.072296
19.688572
-0.132374
other
Li9Mn7O16
32
2
299.49
mp-1198866
7.275314
6.562654
-3.300793
other
Rb4I12O36
52
2
912.86
mp-679788
8.586563
9.842363
-0.216014
other
Rb10Co4O8
22
2
529.92
mp-754003
9.071442
3.032877
-0.111794
other
W2O2F8
12
2
199.65
mp-850364
13.124867
0.604403
1.655701
other
Fe8O6F10
24
2
289.33
mp-1180602
7.677325
6.721563
-4.482048
other
Mn2B8O32
42
2
596.25
mp-1192752
6.51997
6.033833
-3.769043
other
La2Cl6O14
22
2
447.86
mp-1237443
8.34454
1.227497
0.523478
other
K3Ir1F6
10
2
273.89
mp-29680
10.42427
9.778548
0.841862
other
Ta4Bi8O22
34
2
491.46
mp-675929
-5.471375
-1.68421
-3.113618
other
Ti1Fe2Se4
7
2
144.8
mp-557561
-2.984691
-2.303978
-5.891021
other
Sm12Si8S34
54
2
1,227.85
mp-768969
14.410271
5.249738
-2.116983
other
Bi6B14O24
44
2
578.62
mp-1222825
10.46716
9.241994
3.637308
other
Lu4Zr3O12
19
2
237.78
mp-1273032
6.041217
12.778491
-1.489868
other
Na8Co4O12
24
2
277.8
mp-1248275
6.868298
10.115841
-2.401327
other
Al8Ni6O24
38
2
394.84
mp-1237259
8.049207
2.271887
-0.868871
other
Pd1Pt3F6
10
2
315.1
mp-1175435
4.148237
19.668591
-1.786794
other
Li9Co7O16
32
2
287.17
mp-559955
-2.88397
-2.392998
-5.895648
other
Pr12Si8S34
54
2
1,284.23
mp-1175413
4.438639
19.100948
-1.820597
other
Li9Co7O16
32
2
277.47
mp-26658
9.816846
7.623947
-5.824427
other
Bi2P4O14
20
2
291.86
mp-27178
-2.497569
-0.453375
-5.423501
other
Hg2P2S6
10
2
236.63
mp-1195644
8.335397
2.220392
-0.762958
other
Sb5Xe2F40
47
2
822.2
mp-759720
7.262991
11.276063
-0.830242
other
Li8Cu8O16
32
2
367.07
mp-849502
9.935223
2.728267
1.996041
other
Li18V18F54
90
2
1,175.14
mp-866629
-3.413969
-1.653809
-5.670057
other
Ca18Sn18S54
90
2
2,460.24
mp-752701
9.743624
0.40181
-0.041314
other
Li4Cu4F12
20
2
215.58
mp-1046085
11.13848
11.585455
0.236962
other
Mn4Zn4O8
16
2
216.81
mp-28382
9.155894
8.678741
0.315371
other
K16Zn4O12
32
2
614.58
mp-1195437
7.634202
7.573837
-4.113103
other
Ba4As8O36
48
2
828.18
mp-1209714
-0.151741
0.506905
-3.0832
other
Pr6Os1Br10
17
2
616.28
mp-1237975
9.076282
1.59493
0.792194
other
Li3Ir1F6
10
2
131.71
mp-676305
10.235788
9.640664
0.167085
other
Mg8Sb4O18
30
2
325.31
mp-1196127
7.616677
6.711496
-4.66856
other
Zr2S4O26
32
2
546.53
mp-2725306
7.257167
10.438828
-0.631459
other
Na1Cu3O4
8
2
106.7
mp-760952
13.087321
13.164683
-1.782398
other
V6O10F2
18
2
182.65
mp-805897
7.566102
7.421242
-2.565417
other
Mn14Fe6O40
60
2
719.42
mp-26858
13.375343
8.12565
-6.777655
other
Fe5P4O16
25
2
316.65
mp-768871
14.120219
4.993549
-2.227358
other
Bi6B10O21
37
2
502.16
mp-770474
9.933074
10.279329
3.417316
other
La4Ti3O12
19
2
253.78
mp-1104761
7.46733
7.283231
-4.273338
other
Na3Np1O10
14
2
221.57
mp-9692
-4.606399
-2.96677
-3.701495
other
K4Ge2Se6
12
2
384.11
mp-1220603
-7.4455
0.863003
5.084046
other
Nd4Fe29Si5
38
2
517.19
mp-2224849
8.568169
6.335612
-6.138084
other
Mn2S2O10
14
2
173.33
mp-766303
-1.190638
1.961005
-1.875706
other
Ba2Ca7I18
27
2
1,183.17
mp-28159
8.071139
2.267033
-1.287341
other
As2Br6F12
20
2
396.54
mp-647556
5.031496
3.210574
-3.445701
other
Tl8Cd3N42
53
2
907.7
mp-766417
7.495503
9.49255
1.296596
other
Ba10Cu5O17
32
2
530.32
mp-755598
9.973073
8.964161
-2.702016
other
Ag4Te2O8
14
2
227.17
mp-1405211
8.840018
12.437721
-0.569189
other
Mg4Ni4O8
16
2
191.19
mp-676780
-5.339432
-2.153613
-3.938214
other
Li1Mn9Se10
20
2
401.03
mp-530877
11.770945
12.223412
-0.092319
other
Ti6Fe18O32
56
2
643.87
mp-1045498
-5.184705
-0.952119
-4.643109
other
Ca2Ni4S8
14
2
263.55
mp-766878
6.431055
13.425256
-1.275229
other
Li13Ni15O28
56
2
484.42
mp-862839
-0.168606
0.456392
-3.043287
other
Pr10C4Br15
29
2
881.02
mp-504830
5.567327
2.990592
-3.817906
other
S16N20F4
40
2
749.4
mp-754286
10.418832
0.678854
-0.724178
other
Co6O2F10
18
2
211.85
mp-1197869
7.247517
6.566578
-4.432061
other
Fe4S4O32
40
2
625.97
mp-753019
10.096061
0.649954
-0.269916
other
Li2Mn4F18
24
2
323.78
mp-1376797
13.228569
8.254787
-0.128767
other
Nd1Al11O18
30
2
309.8