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-29724
-8.310683
-0.626182
2.40694
other
Ni20Sn3B6
29
225
304.02
mp-1186317
-8.466541
-5.379059
2.886415
other
Nd1Pd2Pb1
4
225
84.86
mp-1184955
-6.598979
-7.386233
2.975941
other
Li2Tl1Cd1
4
225
75.78
mp-862713
-7.307033
-1.496912
4.10721
other
Be1Ge1Ru2
4
225
48.75
mp-864904
-8.464357
-7.083443
3.449959
other
Ho1Cd1Ag2
4
225
82.37
mp-1187265
-9.004457
-5.874712
6.158844
other
Tb2Ir1Au1
4
225
88.02
mp-570661
-6.681339
-0.928989
3.66742
other
Ta6Co16Si7
29
225
339.11
mp-556417
9.116991
0.530412
-0.053377
other
Rb2Ni1F6
9
225
146.02
mp-977363
-6.124239
-1.81796
4.131889
other
Ta2Tc1Mo1
4
225
65.35
mp-1184985
-6.483317
-7.10744
3.060956
other
Li2In1Pb1
4
225
82.53
mp-867307
-6.506588
-1.459443
4.282555
other
Be2Ru1Au1
4
225
45.39
mp-865088
-7.95528
-1.913315
3.669691
other
Mn1Ga1Ir2
4
225
55.45
mp-972530
-8.592139
-6.061296
6.426552
other
Sm2Ag1Rh1
4
225
93.08
mp-862882
-8.80895
-6.380627
3.365886
other
Ca1Pm1Au2
4
225
95.96
mp-23036
-0.562535
1.283606
-4.394133
other
K2Se1Br6
9
225
287.72
mp-977398
-8.45287
-7.078202
3.388233
other
Tb1Cd1Ag2
4
225
83.8
mp-978625
-7.669292
-7.220609
5.823472
other
Sm2Mg1Tl1
4
225
113.09
mp-1187892
3.07535
-0.777717
-2.128566
other
Yb2H6Ru1
9
225
89.34
mp-865156
-8.065326
-6.315882
5.956433
other
Dy2Zn1Ga1
4
225
89.03
mp-755421
9.514965
8.89485
2.894321
other
Ca6Hf1O8
15
225
217.24
mp-862692
-7.983186
-8.784616
6.921595
other
Dy1Ho1Mg2
4
225
108.37
mp-972520
-8.48006
-2.957319
3.508092
other
Sm1Sn1Rh2
4
225
74.8
mp-865615
-7.317194
-1.64707
4.525608
other
Ga1Si1Ru2
4
225
51.52
mp-1112963
8.433451
1.090151
1.451288
other
Cs3Ti1F6
10
225
216.21
mp-1185843
-8.146099
-2.008445
2.842163
other
Mg1Al1Ni2
4
225
50.11
mp-1110846
8.083303
0.870864
1.30564
other
K3Bi1F6
10
225
220.69
mp-867123
-6.670093
-1.708107
4.218444
other
Ta1Ti1Os2
4
225
61.46
mp-1184106
-7.755707
-6.041677
6.214749
other
Er2Al1Cd1
4
225
94.99
mp-1184217
-8.696686
-3.202013
4.068365
other
Er1Mg1Rh2
4
225
68
mp-722281
2.636819
3.090539
-4.148242
other
Pb1N2Cl6
9
225
260.95
mp-867109
-8.928198
-5.958764
4.276206
other
Sc1Zn2Ag1
4
225
65.71
mp-865594
-8.921035
-5.96841
6.372664
other
Y2Cu1Ir1
4
225
82.73
mp-27834
1.635338
2.651473
-5.223047
other
Tl2Pt1Cl6
9
225
237.28
mp-865842
-6.924603
-1.696813
4.291475
other
Ti2Os1Ru1
4
225
58.3
mp-1185238
-8.336384
-4.525269
2.936071
other
Li1Ti1Pd2
4
225
57.54
mp-755556
9.207637
8.776122
2.369319
other
Ba6Zr1O8
15
225
324.29
mp-861656
-6.557016
-1.755073
4.06537
other
Ti2Cr1Ir1
4
225
57.93
mp-983425
-6.304394
-6.353549
4.316462
other
Li2Pm1Ge1
4
225
70.64
mp-867869
-8.7355
-6.43849
6.925943
other
Sm2Ag1Ru1
4
225
90.21
mp-672653
-7.495646
-1.823861
2.811159
other
Nb6Ni16Ge7
29
225
375
mp-972601
-7.995056
-8.884124
6.947666
other
Sm1Lu1Mg2
4
225
108.55
mp-1186789
-5.284163
-7.412716
4.02126
other
Sr1Yb2Eu1
4
225
172.16
mp-865516
-7.938653
-3.045473
5.334949
other
Y1Pa1Ru2
4
225
79.54
mp-1184473
-6.434667
-7.116863
3.431248
other
Eu2Tl1In1
4
225
124.52
mp-1184577
-8.99702
-5.740965
6.577363
other
Ho2Os1Rh1
4
225
78.87
mp-861976
-7.094855
-0.028265
5.008638
other
Pa1Ga1Fe2
4
225
64.3
mp-863666
-8.996272
-5.465876
6.330304
other
Er2Ru1Rh1
4
225
75.39
mp-1064865
-4.462975
-7.186623
3.80352
other
Ba2Sr1Np1
4
225
202.85
mp-980150
-6.799634
-5.660727
6.026121
other
Th2Zn1Tc1
4
225
94.87
mp-5850
-8.497242
-4.87249
2.712754
other
Er1Sn1Pd2
4
225
75.49
mp-1187374
-6.645887
-7.142565
4.220962
other
Sr1Ac1In2
4
225
137.13
mp-972493
-8.24017
-6.535946
6.905127
other
Sm2Mg1Ru1
4
225
95.76
mp-977582
-8.347879
-2.915182
3.942376
other
Zr1Zn1Rh2
4
225
61.49
mp-865001
-7.195799
-2.355133
4.588633
other
Hf1Sc1Os2
4
225
66.79
mp-1186157
-7.792043
-6.523837
2.682878
other
Na1Eu1Au2
4
225
100.37
mp-1205815
3.120091
-0.828964
-2.14742
other
Eu2H6Ir1
9
225
106.76
mp-1184253
-8.618739
-6.765986
4.726785
other
Er1Tm1Ag2
4
225
90.66
mp-1186279
-8.025184
-6.827097
5.564349
other
Nd2In1Ag1
4
225
111.78
mp-1186242
-7.555535
-6.85897
5.634419
other
Nd2Hg1Pb1
4
225
116.19
mp-867136
-7.830063
-6.221697
6.515631
other
Li1Tm2Co1
4
225
75.91
mp-867911
-8.596297
-5.0156
3.091835
other
Sc1Cd1Pd2
4
225
69.41
mp-978796
-8.028339
-6.614296
5.811324
other
Sm1Dy1In2
4
225
107.85
mp-865165
-7.747497
-3.578252
4.648232
original
Hf1Sc1Co2
4
225
62.38
mp-1186430
-6.024461
-1.370277
4.290319
other
Pa1Zn1Tc2
4
225
68.37
mp-1207398
-5.665205
-1.611876
4.617328
other
Zr6Be15Pd8
29
225
374.16
mp-861637
-6.291845
-2.101249
4.308846
other
Ti2Al1Tc1
4
225
61.44
mp-862957
-6.616494
-4.414176
0.672685
other
Pm1Sb1Pd2
4
225
81.19
mp-1187213
-6.149252
-1.797051
3.948401
other
Ta2Re1Os1
4
225
64.41
mp-866219
-7.655417
-2.020496
4.160028
other
Hf1Sn1Ru2
4
225
65.61
mp-1187641
-6.459505
-7.164541
3.50876
other
Yb1Eu1Tl2
4
225
123.3
mp-862486
-8.230924
-4.617111
5.308584
other
Sc2Al1Os1
4
225
70.54
mp-1184376
-6.932686
-7.318711
4.53177
other
Eu1Er1Tl2
4
225
113.69
mp-865989
-7.565385
-1.939451
4.335757
other
Al2Ir1Ru1
4
225
53.15
mp-1193515
-7.611661
0.236704
3.416922
other
Co21Ge2B6
29
225
279.68
mp-862973
-8.963642
-6.62808
4.335883
other
Pm1Zn2Ag1
4
225
76.93
mp-865677
-8.411674
-4.945287
2.832032
other
Th1Sn1Pd2
4
225
84.55
mp-972657
-7.976614
-6.074218
1.652647
other
Sm1Bi1Au2
4
225
96.48
mp-1185762
-8.058504
-9.534591
4.776441
other
Mg2Cd1Rh1
4
225
70.43
mp-862991
-8.693145
-6.638548
6.742203
other
Pm2Ag1Ru1
4
225
91.57
mp-1111692
8.595779
1.566333
1.465711
other
K3Ti1F6
10
225
182.46
mp-866180
-6.144201
-7.010646
3.367316
other
Li2Yb1Pb1
4
225
85.79
mp-1185212
-7.503659
-6.293794
2.859703
other
Li1Cd2Ni1
4
225
62.44
mp-1112951
-1.158688
2.982245
-3.131905
other
Cs3As1I6
10
225
548.39
mp-21360
-9.05815
-5.165822
4.379521
other
Nd1In1Cu2
4
225
76.44
mp-1218983
-3.615002
1.800163
2.982385
other
Sm1Th1B12
14
225
138.76
mp-1185405
-8.34062
-6.256677
6.608205
other
Li1Lu2Re1
4
225
78.53
mp-5478
7.851345
10.755218
-0.718399
other
Tl2Pd6O8
16
225
223.06
mp-1193375
-8.811929
-0.442447
2.412622
other
Yb2Ni21B6
29
225
295.08
mp-861661
-8.106795
-6.431326
6.923206
other
Li1Pr2Ru1
4
225
93.93
mp-1183163
-7.855102
-1.860188
3.704582
other
Al1Fe1Ir2
4
225
54.23
mp-569028
-0.466744
1.156126
-4.512227
other
Rb2Sn1Br6
9
225
313.37
mp-862610
-8.110943
-2.853804
4.160094
other
Li1Hf1Ir2
4
225
59.95
mp-862885
-8.485226
-5.172777
5.423249
other
Ca1Pm1Rh2
4
225
81.72
mp-867820
-8.431032
-4.50629
2.472441
other
Li1Al1Pd2
4
225
53.61
mp-865595
-9.028685
-5.951647
6.547218
other
Lu2Cu1Ru1
4
225
73.59
mp-1193840
-7.901192
-4.289977
4.520239
other
Zr6Al16Pd7
29
225
481.66
mp-1187650
-8.067457
-6.607041
5.912503
other
Tm2Zn1In1
4
225
93.63
mp-557686
9.154173
2.114182
1.503937
other
Zr1V1F6
8
225
134.85
mp-1183467
-8.227882
-4.757815
5.142124
other
Ca1Ce1Rh2
4
225
82.51
mp-28525
8.945707
14.963202
-0.754704
other
Mn15Br6O20
41
225
557.52