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-1212806
-6.09736
-2.902623
0.692009
other
Dy4Ni4As4
12
194
215.57
mp-20661
-4.078332
-0.668019
2.933946
other
Ti4Pb2C2
8
194
124.45
mp-29763
-0.541241
1.342554
-4.769554
other
Rb2Mn2Br6
10
194
316.3
mp-1212558
-7.131593
-0.479285
4.281727
other
Ho4Mn34C6
44
194
518.63
mp-1207633
-6.581856
-2.921123
5.591141
other
Y6Si6Ir12
24
194
410
mp-17485
-5.046352
-3.928024
6.048411
other
Ho8Si12Rh4
24
194
448.16
mp-1194078
8.968696
0.327963
0.497738
other
Cs6Ni6F18
30
194
475.63
mp-569941
-5.88856
-4.629376
0.868407
other
Ce6Sb6Au4
16
194
446.56
mp-1232416
-7.690875
-0.687744
4.543747
other
Pr4Mn24Co10
38
194
523.69
mp-1204922
-8.873353
-0.193409
4.137867
other
Ho4Co24Ni10
38
194
477.62
mp-650503
-0.818483
1.12246
-4.347765
other
Rb6V4Br18
28
194
903.41
mp-1206875
-7.865917
-5.215094
5.511485
other
La4Rh4I2
10
194
286.64
mp-19138
6.063886
11.457824
-0.386891
original
Ba2Ni2O6
10
194
133.45
mp-1245522
2.225546
2.331297
1.618631
other
Sc2B2N4
8
194
95.76
mp-1207724
-5.014908
-3.984234
6.08236
other
Y8Si12Rh4
24
194
462.39
mp-1245580
0.534831
2.809234
1.755732
other
Fe2Ni6N6
14
194
149.28
mp-568066
-0.404974
0.763644
-2.487325
other
Pr4C2Br2
8
194
191.74
mp-18407
11.138396
8.360869
0.825221
other
Ba6Si6O18
30
194
350.22
mp-1212448
12.415558
9.218897
2.441513
other
Hf18Re8O6
32
194
520.02
mp-18399
-9.181775
-0.767142
2.830494
other
Dy6Ni14B4
24
194
311.28
mp-1238776
-4.576956
0.879985
2.986316
other
V2B2C2
6
194
46.17
mp-20706
-4.148668
-4.030996
0.592706
other
Eu2P2Pd2
6
194
124.65
mp-619015
1.397586
2.698717
-5.926433
other
Cs6Cd6Cl18
30
194
896.8
mp-1018680
-7.661424
-7.364113
5.585779
other
Dy2Tl2Zn2
6
194
140.17
mp-1078728
-7.950096
-3.902889
3.185539
other
Hf2Al2Pt4
8
194
144.36
mp-13312
-2.756505
-2.583558
-5.675053
other
Sc2Tl2S4
8
194
186.21
mp-10868
-5.138951
-3.448885
0.917502
other
Sm2P2Pd2
6
194
117.65
mp-1006399
-7.938047
-5.945354
4.838673
other
Ce2Zn2In2
6
194
144.98
mp-1018714
-7.640489
-4.129338
4.144696
other
Hf2Ga2Cu2
6
194
95.36
mp-557620
7.016397
11.820633
-1.140034
other
Ni4Ag6O8
18
194
220.02
mp-1246479
0.966151
2.255772
2.012759
other
Cr2B2N4
8
194
80.92
mp-13218
-9.573421
-4.621716
3.936544
other
Y2Mg4Cu18
24
194
341.99
mp-555174
11.43136
10.526793
1.010675
other
Ba6Tc6O18
30
194
406.28
mp-1176435
9.001655
14.239908
-0.617727
other
Mn2Ga2O6
10
194
109.68
mp-7025
-5.794891
-3.494436
-2.020822
other
Rb2Te2Au2
6
194
203.59
mp-3927
-5.354446
-5.015025
0.509337
other
Ca2As2Au2
6
194
134.57
mp-754184
11.321857
8.137313
2.010324
other
Er2Al2O6
10
194
117.73
mp-997099
7.720564
10.903115
-0.913646
other
Pd2Au2O4
8
194
108.42
mp-1191556
-9.237193
-0.845637
2.767918
other
Tb6Ni14B4
24
194
313.97
mp-1205177
-8.34311
-0.487965
4.526116
other
Ho4Al6Co28
38
194
491.17
mp-1214568
-6.522351
-6.411888
2.369997
other
Ba8Sn18Bi6
32
194
1,064.65
mp-1106049
7.137774
12.733871
-1.537583
other
Co4Ag4O8
16
194
200.1
mp-11819
-6.256373
-7.009147
2.669471
other
Ba2Sn2Hg2
6
194
207.07
mp-1212066
-5.991784
-3.312672
0.595533
other
Ho4Ni4As4
12
194
213.27
mp-1247379
5.093056
2.115001
-2.578073
other
In2C2N4
8
194
121.67
mp-755585
7.220413
5.913085
-3.370529
other
Li2Ag2O4
8
194
91.36
mp-3924
13.020457
10.20816
1.734434
other
Li2Nb2O4
8
194
77.27
mp-755144
9.456246
10.118852
0.41054
other
Na2Li2O2
6
194
65.56
mp-1201523
-8.345057
-0.128774
4.478644
other
Ho4Mn6Co28
38
194
488.22
mp-973675
-5.789067
-2.962426
3.952243
other
Hf18As2W8
28
194
571.31
mp-3742
8.498682
13.219501
-1.1794
other
Sr2Fe24O38
64
194
727.38
mp-1077361
-4.988825
-5.300178
0.724438
other
Ba2As2Au2
6
194
166.62
mp-754154
9.665492
8.196346
2.09907
other
Cs2Ho2O4
8
194
145.83
mp-754384
10.505555
8.64981
2.882527
other
Sc2Tl2O4
8
194
119.7
mp-1207756
-6.432888
-2.89151
5.591194
other
Y8Si10Ir18
36
194
595.9
mp-764648
12.829305
11.375612
1.588427
other
Li2Ti2O4
8
194
73.32
mp-28908
8.082487
10.308638
1.473262
other
Ba10Ru4O20
34
194
560.66
mp-997029
7.408007
9.710788
-1.178484
other
Tl2Cu2O4
8
194
127.54
mp-569309
1.482344
2.629246
-5.708896
other
Rb6Mn6Cl18
30
194
789.36
mp-8868
-4.599075
-6.960475
2.840272
other
Ba6Na2N2
10
194
441.62
mp-16481
-8.519308
-5.589119
3.318429
other
Ti2Al2Au2
6
194
97.97
mp-1205531
-6.451507
-3.933571
5.000923
other
Ce2Ti2Ge6
10
194
199.08
mp-7964
11.259286
8.134677
2.009095
other
Y2Al2O6
10
194
121.04
mp-1018661
-8.388267
-6.544724
3.289678
other
Ce2Pb2Au2
6
194
158.38
mp-1025047
-7.054189
-0.517884
3.180341
other
Fe2Co2Ge2
6
194
72.31
mp-769398
-0.321843
2.24635
-3.012894
other
Na18I6O6
30
194
632.42
mp-1213428
-7.123098
-0.461422
4.280889
other
Dy4Mn34C6
44
194
526.62
mp-1193558
-5.942213
-2.946262
4.166538
other
Hf18Fe2Mo8
28
194
548.21
mp-1208077
-8.45273
-4.511941
4.481894
other
Tm6Cu22Si8
36
194
511.68
mp-541084
1.577521
2.721561
-5.537483
other
Cs6V4Cl18
28
194
835.96
mp-10769
-5.273929
-5.949118
0.873051
other
Ba2Sb2Au2
6
194
193.33
mp-27409
-0.454431
1.3769
-4.643825
other
Rb2Ni2Br6
10
194
292.06
mp-1193101
6.646064
12.148273
1.423401
other
Sr6Mn6O18
30
194
340.51
mp-569526
1.372443
2.532624
-5.828621
other
Rb2Cu2Cl6
10
194
257.94
mp-1245507
1.619152
2.523315
1.836828
other
Ni2Ge2N4
8
194
75.87
mp-20879
-6.570187
-7.386077
2.921756
other
Ca2Hg2Pb2
6
194
173.74
mp-8044
-5.220511
-0.436904
2.712161
other
V4P2C2
8
194
88.39
mp-1178547
9.199702
12.154778
-0.519532
other
Al2Rh2O6
10
194
98.9
mp-1018662
-6.077816
-4.443805
0.773383
other
Ce2Sb2Pd2
6
194
149.83
mp-561949
13.435857
4.436542
-1.517542
other
Gd2B2O6
10
194
157.44
mp-1192978
-4.038613
-7.044535
1.643162
other
Cs2K14Rb10
26
194
2,209.78
mp-570150
-4.203343
-5.270411
5.67109
other
Ca6Al6Si6
18
194
401.27
mp-20482
-3.506592
-4.356108
0.723635
other
Eu2Ag2P2
6
194
133.35
mp-1200648
-7.610479
0.66317
5.122405
other
Y4Ga6Fe28
38
194
523.16
mp-505110
8.783628
13.362258
-1.022143
other
Fe2Cu2O4
8
194
90.32
mp-1078802
-6.980518
-3.547437
5.256083
other
La2V2Ge6
10
194
192.73
mp-1193562
-6.369578
-2.743376
4.389468
other
Hf18Re8B2
28
194
529.59
mp-1018758
-7.978756
-6.303892
5.183424
other
La2Zn2In2
6
194
156.02
mp-30061
-8.323584
-2.731001
3.345975
other
Sn8B2Rh12
22
194
376.44
mp-10208
-5.548009
-1.00416
1.966364
other
Ni2Mo2P4
8
194
106.9
mp-621938
-1.283728
3.088142
-2.92863
other
Cs6Cr4I18
28
194
1,195.96
mp-9957
-4.951289
0.166235
2.836398
other
V4Ge2C2
8
194
94.05
mp-549158
10.493417
9.295176
0.046421
other
In2Cu2O4
8
194
109.89
mp-1386773
7.365622
13.182357
-1.980793
other
Al2Co2O6
10
194
96.92
mp-16266
-4.205041
-5.228278
5.268559
other
Ca2Zn2Si2
6
194
126.78
mp-1208296
-6.947235
-4.432329
5.470794
other
Tb4Zn4Ge4
12
194
241.71
mp-1078556
-5.743052
-3.729521
0.578708
other
Dy4Ni2As4
10
194
204.53
mp-768175
10.751513
8.000039
2.912832
other
Dy4S2O4
10
194
164.1
mp-1079908
-3.91699
-0.877936
3.293912
other
Ti4Si2C2
8
194
103.1
mp-1101695
8.170316
13.266252
-1.312353
other
Na2Fe24O38
64
194
721.46