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-10173
-6.065494
-6.878127
3.349639
other
Li2
2
194
40.21
mp-139
-4.98594
-7.577003
3.532788
other
Sr2
2
194
112.87
mp-1183484
-5.144893
-7.347608
3.82769
other
Ca4
4
194
174.56
mp-26
-6.64914
-6.635564
6.509873
original
La4
4
194
150.29
mp-46
-5.419459
-3.112245
3.784056
other
Ti2
2
194
34.64
mp-20745
-6.300662
-6.907774
2.320171
other
Pb2
2
194
62.6
mp-1186427
-8.360707
-4.108937
1.99653
original
Pd4
4
194
60.27
mp-82
-6.049617
-7.139266
1.885237
other
Tl2
2
194
59.81
mp-94
-7.568625
-6.825841
2.265298
other
Cd2
2
194
44.62
mp-1184067
-7.166481
-6.868472
7.278606
other
Dy4
4
194
127.01
mp-80
-5.788573
-5.116827
0.566377
other
Sb2
2
194
53.31
mp-89
-6.676099
-0.692508
3.96695
other
Cr2
2
194
23.18
mp-23907
3.446293
-0.275461
-2.460475
other
H2
2
194
83.74
mp-1091415
-5.453983
-5.275384
3.409866
other
Ge8
8
194
182.59
mp-975129
-4.080884
-7.016634
1.594056
other
Rb2
2
194
189.28
mp-973111
-6.801774
-6.427025
2.540661
other
In2
2
194
53.08
mp-123
-7.078977
-6.882586
7.290475
original
Nd4
4
194
141.85
mp-56
-4.690607
-7.322925
3.322955
other
Ba2
2
194
135.36
mp-10172
-5.029479
-7.392454
2.967315
other
Na2
2
194
73.88
mp-972373
-6.047313
-7.136693
1.882627
other
Tl4
4
194
120.11
mp-18
-7.0356
-6.6406
6.964434
other
Tb2
2
194
65.43
mp-1061298
7.042785
3.810947
-1.828484
other
N2
2
194
13.45
mp-20736
-6.055004
-6.060738
5.713876
other
Ce2
2
194
50.84
mp-165
-4.020667
-4.893603
5.693903
other
Si4
4
194
80.5
mp-971769
-7.339027
-6.811722
7.154567
other
Tm4
4
194
120.21
mp-10597
-7.904501
-6.6196
1.977018
other
Ag2
2
194
34.77
mp-47
5.785245
2.031106
-2.373399
other
C4
4
194
22.62
mp-1187761
0.263996
4.313813
-2.218825
other
Xe4
4
194
259.74
mp-10257
-8.954251
-1.088412
2.699466
other
Ni2
2
194
21.14
mp-567365
-7.27557
-1.234341
-2.033935
other
Kr2
2
194
100.57
mp-997182
5.738279
2.058572
-2.564315
other
C4
4
194
62.91
mp-141
-5.945054
-7.246051
4.335911
other
Yb2
2
194
81.98
mp-2647074
-6.27255
-0.928611
3.924133
other
V2
2
194
27.74
mp-21462
-5.613364
-7.322495
3.960647
other
Eu2
2
194
88.13
mp-88
-7.166891
-6.872963
7.282426
other
Dy2
2
194
64.01
mp-2647025
-7.079216
-0.484015
4.165467
other
Mn2
2
194
21.51
mp-1196985
-3.316425
1.744739
2.831394
other
B48
48
200
387.89
mp-667273
5.668248
2.201892
-2.95118
other
C60
60
202
724.24
mp-1199937
-4.035508
-7.107978
1.816705
other
K81
81
204
6,235.98
mp-1080106
-5.491725
-5.21398
3.456836
other
Ge8
8
206
169.18
mp-24
6.005148
2.027772
-2.470526
other
C8
8
206
44.32
mp-168
-4.028512
-4.834486
5.798627
other
Si8
8
206
147.41
mp-1201492
-3.994468
-4.907517
5.673209
other
Si232
232
205
5,494.18
mp-25
3.831878
3.221709
-3.641267
other
N8
8
205
171.93
mp-1196583
5.679435
2.201038
-2.943326
other
C240
240
205
2,921.57
mp-1184766
-7.240211
-7.64119
1.631298
other
Hg20
20
213
575.01
mp-1184905
-4.039071
-7.118289
1.821753
other
K20
20
213
1,495.28
mp-1186853
-4.060209
-7.014377
1.592114
other
Rb20
20
213
1,944.83
mp-1186055
-5.020775
-7.39332
2.950623
other
Na20
20
213
762.86
mp-1183897
-4.13052
-6.66227
1.448103
other
Cs20
20
213
2,523.92
mp-604313
-5.945591
-6.985941
3.431499
other
Li4
4
213
88.39
mp-542909
-7.283535
-1.016611
4.096167
other
Mn20
20
213
301.51
mp-1018088
5.760522
2.518019
-3.220316
other
C4
4
214
34.66
mp-1221597
-4.812934
-7.41885
2.652055
other
Na6
6
216
423.71
mp-1191484
-7.250322
-1.180371
4.60253
other
Mn22
22
216
346.64
mp-1185201
-4.049288
-7.104246
1.802985
other
K29
29
217
2,241.28
mp-1200830
-3.988673
-4.906872
5.671714
other
Si41
41
217
959.87
mp-1184151
-4.124587
-6.662569
1.443738
other
Cs29
29
217
3,582.01
mp-35
-7.333575
-0.87563
4.119153
other
Mn29
29
217
377.66
mp-864900
-7.240856
-7.636092
1.62981
other
Hg29
29
217
823.21
mp-1186899
-4.058129
-7.014636
1.593379
other
Rb29
29
217
2,772.41
mp-1192619
5.46215
3.023606
-3.261836
other
C29
29
217
360.09
mp-1187790
-6.068547
-7.142634
1.908657
other
Tl29
29
217
880.83
mp-971661
-4.008057
-4.904527
5.699806
other
Si23
23
217
507.63
mp-1186081
-5.019685
-7.395038
2.951852
other
Na29
29
217
1,099.73
mp-1184693
-6.810571
-6.414152
2.529958
other
In29
29
217
777.48
mp-1080711
6.464736
3.584913
-2.547081
other
N10
10
217
137.16
mp-567772
-5.020944
-7.393681
2.948112
other
Na8
8
220
303.4
mp-569423
-6.127388
-5.616627
3.664897
other
Ga6
6
220
107.18
mp-567337
-6.05969
-6.872208
3.347482
other
Li8
8
220
161.75
mp-567597
-6.376468
-5.577802
0.474214
other
Bi4
4
221
137.31
mp-7755
-3.898591
-1.765811
-3.712627
other
Se1
1
221
22.2
mp-568345
-7.368423
0.793315
4.381845
other
Fe6
6
221
81.66
mp-1188817
6.007807
2.407684
-2.616875
other
C20
20
221
139.28
mp-689577
-4.397518
-7.585611
2.017975
other
Na1
1
221
346.44
mp-1008681
-7.023749
-5.742175
5.409552
other
Sc1
1
221
25.86
mp-10869
-4.076307
-1.37716
-4.443428
other
S1
1
221
17.14
mp-998866
6.480495
3.512116
-2.356179
other
C1
1
221
5.61
mp-1217756
-5.363614
-3.736926
3.637328
other
Ta4
4
221
79.35
mp-639747
-4.739273
-7.327327
3.494879
other
Ba2
2
221
120.26
mp-1062055
0.532389
1.845438
-3.578994
other
Br3
3
221
97.19
mp-10683
-5.104784
-7.376995
3.962176
other
Ca1
1
221
42.46
mp-10654
-5.835938
-3.162434
-1.73478
other
Te4
4
221
129.54
mp-639774
-4.898093
-7.622888
3.594979
other
Sr2
2
221
113.17
mp-1239193
-8.687525
-2.42675
3.711941
other
Rh2
2
221
33.03
mp-133
-5.808891
-4.970662
0.494895
other
Sb1
1
221
29.31
mp-998881
-4.011975
-7.098403
1.82107
other
K1
1
221
80.09
mp-10
-5.019235
-4.443655
0.239184
other
As2
2
221
39.53
mp-53
-3.201543
-3.606886
0.662692
other
P2
2
221
28.69
mp-1056699
-5.054977
-3.543115
3.474301
other
U4
4
221
74.36
mp-11334
-5.926475
-0.59881
3.58058
other
W8
8
223
129.73
mp-974620
-4.048686
-7.014219
1.593013
other
Rb8
8
223
760.43
mp-1184657
-7.226725
-7.642515
1.642192
other
Hg8
8
223
231.04
mp-17
-6.685268
-0.702389
3.938959
other
Cr8
8
223
91.87
mp-949029
-4.124049
-6.662524
1.443424
other
Cs8
8
223
989.43
mp-949028
-6.540593
-6.198881
2.0566
other
Sn46
46
223
1,831.16
mp-1184808
-4.045644
-7.104805
1.806669
other
K8
8
223
612.04
mp-1186040
-5.021859
-7.396571
2.96107
other
Na8
8
223
300.32
mp-21848
9.100475
4.867517
-1.129214
other
F8
8
223
79.07
mp-971662
-3.993213
-4.897998
5.64983
other
Si46
46
223
1,055.12