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-1184152
-8.470496
-6.704007
5.77143
other
Dy2Ga1Ag1
4
225
92.55
mp-863734
-5.942007
-1.573209
4.394986
other
Er1Pa1Tc2
4
225
78.46
mp-865236
-8.758327
-6.294975
6.74973
other
Tm2Zn1Os1
4
225
78.62
mp-1184137
-8.0267
-6.600575
5.786664
original
Dy1Tm1In2
4
225
102.59
mp-1185325
-5.757493
-7.163909
3.529188
other
Li1Ca2Pb1
4
225
115.24
mp-862686
-6.967863
-7.297444
5.078545
other
Li1Ac2Ru1
4
225
108.11
mp-867178
-8.063527
-6.869901
4.693459
other
Pr1Mg1Cd2
4
225
98.95
mp-862989
-8.316676
-6.318241
5.965365
other
Pm2Ag1Pt1
4
225
95.31
mp-861651
-6.751818
-6.70997
2.74791
other
Li2Pd1Pb1
4
225
64
mp-1187874
-8.612698
-5.066761
3.323016
other
Y1Zn1Pd2
4
225
73.25
mp-978549
-8.537514
-6.863826
5.436606
other
Sm1Lu1Zn2
4
225
89.39
mp-972633
-8.900344
-5.450326
6.507309
other
Sm1Er1Ru2
4
225
80.25
mp-1185131
-7.709238
-8.668916
6.686348
other
La1Pm1Mg2
4
225
120.34
mp-977570
-7.982809
-6.403702
6.922392
other
Li1Pr2Os1
4
225
92.64
mp-865006
-7.630795
-6.319675
6.536714
other
Dy2Mg1Al1
4
225
98.33
mp-1079529
7.493241
8.125178
-3.707901
other
Na1Te1O6
8
225
159.08
mp-975793
-7.52079
-7.355862
5.507655
other
Pr1Tm1Tl2
4
225
111.94
mp-862703
-8.686593
-5.931224
3.808748
other
Sc2Ag1Au1
4
225
78.53
mp-27835
-0.580177
1.239802
-4.47596
other
K2Os1Br6
9
225
275.96
mp-1186330
-7.589756
-7.393921
5.549897
other
Nd1Sm1Tl2
4
225
115.76
mp-1186508
-7.702824
-6.899172
5.613027
other
Pm2In1Sn1
4
225
113.98
mp-865992
-8.386602
-3.129482
3.654593
other
Yb1Sn1Rh2
4
225
69.76
mp-631455
-4.08241
-4.849116
5.754032
other
Hf1Si2Br1
4
225
77.95
mp-1212451
-5.511222
-1.275447
4.418728
other
Hf6Be15Co8
29
225
322.34
mp-866086
-7.615824
-2.133806
4.268353
other
Mg1Si1Ir2
4
225
53.53
mp-1193221
-8.893263
-0.550346
2.432009
other
Ca2Ni21B6
29
225
304.46
mp-21467
-7.322779
-1.49759
3.299205
other
Ti1Co2Sn1
4
225
55.66
mp-867214
-9.049873
-5.570395
6.350867
other
Er2Ir1Ru1
4
225
75.69
mp-866158
-7.983457
-9.12143
7.039097
other
Y1Lu1Mg2
4
225
106.52
mp-631340
-5.973328
-5.864656
4.890742
other
Sr1La1Zr2
4
225
120.7
mp-1186261
-7.718012
-7.053385
5.717432
other
Nd2Tl1In1
4
225
116.83
mp-867836
-8.886343
-6.275572
2.821295
other
La1Zn1Au2
4
225
90.16
mp-542996
-6.553432
-0.336644
3.893257
other
Ta6Fe16Si7
29
225
342.5
mp-3504
-7.638629
-2.432479
2.731798
other
Nb1Ni2Sn1
4
225
59.61
mp-1212450
-5.273934
-1.256439
4.453093
other
Hf6Be15Ni8
29
225
325.4
mp-1206530
8.600083
1.519974
0.504348
other
Zr1Ni1F6
8
225
127.57
mp-1187599
-8.772891
-6.287554
5.477575
other
Tm2Zn1Pd1
4
225
83.13
mp-1183942
-5.422009
-5.964923
0.987612
other
Eu2Ag1Sb1
4
225
117.02
mp-861644
-8.058084
-4.153188
3.397711
other
Th1Cd1Pt2
4
225
85.54
mp-631569
-5.477049
-4.145559
3.633694
other
Ba1Hf2As1
4
225
91.09
mp-973089
-6.779545
-0.530885
4.81202
other
Sc1Ta1Fe2
4
225
56.96
mp-978558
-8.959807
-5.405075
6.099166
other
Sm1Er1Rh2
4
225
80.57
mp-1183568
-7.883217
-6.980952
4.991327
other
Ca1Tm1Zn2
4
225
89.81
mp-1192512
-8.162637
-0.464476
2.418494
other
Ta2Ni21B6
29
225
283.13
mp-862935
-6.471568
-6.796373
3.742128
other
Li2Pm1Sn1
4
225
80.79
mp-866228
-7.945491
-8.13537
3.984881
other
Ca1Dy1Hg2
4
225
102.08
mp-864667
-8.868267
-6.609612
2.804414
other
Nd1Tl1Au2
4
225
92.85
mp-1184354
-8.937169
-6.13094
6.412744
other
Gd2Ir1Au1
4
225
87.91
mp-1186422
-8.729575
-1.885794
3.289171
other
Pa1Zn1Ni2
4
225
62.15
mp-1186426
-7.234015
-1.645257
5.181955
other
Pa1Mn2Ga1
4
225
67.45
mp-1183861
-7.543097
-6.744983
4.575029
other
Ce1Eu1Cd2
4
225
116.79
mp-631331
-3.788636
-5.355765
6.038527
other
Si2Hg1Te1
4
225
87.43
mp-861625
-8.150873
-6.74652
2.469837
other
Li1Zn1Ag2
4
225
60.76
mp-1110571
9.196662
0.914811
1.136833
other
Na3Cr1F6
10
225
137.95
mp-867923
-8.170838
-3.856392
3.224406
other
Sc1Ga1Pt2
4
225
66.19
mp-979968
-7.466734
-6.893351
3.622183
other
Yb2Cd1Hg1
4
225
107.63
mp-1186457
-8.606605
-6.381654
6.618951
other
Pm2Co1Ru1
4
225
84.66
mp-862676
-7.819743
-6.448209
5.300417
other
Li1Ho1In2
4
225
92.89
mp-1111115
8.685568
1.80159
1.512144
other
K3Nb1F6
10
225
196.43
mp-867272
-9.084998
-4.637959
4.272733
other
Li1Al1Cu2
4
225
49.43
mp-979432
-8.097404
-6.974737
5.243728
other
Y1Lu1Cd2
4
225
102.92
mp-1185361
-7.313713
-1.877608
4.482408
other
Li1Nb1Ru2
4
225
56.84
mp-866187
-6.202869
-2.086483
4.151382
other
Ti2Zn1Tc1
4
225
60.22
mp-863676
-7.59478
-6.872534
5.512012
other
Pm2Cu1Sn1
4
225
102.94
mp-867811
-7.270222
-1.618981
4.279994
other
Ta1Mn1Ru2
4
225
59.09
mp-972072
-8.551759
-5.566871
3.633769
other
Yb1Y1Pd2
4
225
85.06
mp-1185169
-7.337183
-8.096625
6.186384
other
La1Ce1Mg2
4
225
117.25
mp-862618
-8.177515
-8.238438
3.570628
other
Li1Er1Hg2
4
225
85.39
mp-1111328
1.370737
2.486672
-5.742402
other
K3Tl1Cl6
10
225
346.35
mp-1187070
-6.071963
-6.582766
3.389915
other
Sr2Cu1Pt1
4
225
103.69
mp-568830
-8.955432
-6.333004
2.933671
other
Tm1In1Au2
4
225
81.52
mp-1208154
9.234637
1.665237
1.063527
other
Tl2V1F6
9
225
153.05
mp-1185424
-7.763092
-5.335625
5.149039
other
Li1Sc2Ga1
4
225
76.67
mp-1184109
-8.795093
-6.060395
5.231497
other
Dy1Tm1Cu2
4
225
79.53
mp-977383
-8.586404
-4.851467
2.118968
other
Zn1Pd2Au1
4
225
61.28
mp-864970
-6.10701
-1.096585
4.04809
other
Mn1Si1Tc2
4
225
52.03
mp-865278
-6.885329
-1.59433
4.431725
other
Nb1Al1Os2
4
225
59.95
mp-865502
-8.236067
-8.014443
3.092702
other
Y1Ag1Hg2
4
225
87.49
mp-5407
-7.239018
-1.20001
3.682417
other
Ti1Al1Co2
4
225
48.75
mp-1185248
-8.460967
-5.22229
3.525765
other
Li1Y1Pd2
4
225
74.3
mp-865919
-7.858165
-6.622082
2.774193
other
Mg1Al1Ag2
4
225
67.22
mp-862705
-7.916786
-2.290996
3.909654
other
Al1Zn1Ir2
4
225
53.95
mp-973653
-8.581067
-6.603752
5.39554
other
Lu2Zn1Ag1
4
225
85.65
mp-867234
-8.212312
-7.957415
3.38262
other
Tb1Mg1Hg2
4
225
90.78
mp-1187426
-7.997716
-7.762376
3.543686
other
Th1Mg1Hg2
4
225
98.73
mp-984784
-5.310783
-6.979699
3.361011
other
Ba2Zn1Cd1
4
225
145.65
mp-1186470
-8.385099
-2.338759
3.515934
other
Pa1In1Ni2
4
225
68.83
mp-864599
-8.820865
-6.264792
2.754303
other
Tb1Sn1Au2
4
225
85.68
mp-867135
-8.57428
-4.808022
3.040193
other
Sc1Zn1Pd2
4
225
63.42
mp-1195477
-6.737819
-3.661345
3.416865
other
Yb6Si22Pt46
74
225
1,230.96
mp-1186749
-8.015848
-6.520542
5.720032
other
Pr1Ho1In2
4
225
110.78
mp-867293
-7.310106
-0.627978
3.931723
original
Li1Co2Si1
4
225
39.58
mp-1186681
-9.020078
-5.702902
6.298039
other
Pm1Y1Ir2
4
225
83.25
mp-977443
-7.395273
-1.719002
4.542862
other
Zr1Ge1Ru2
4
225
61.01
mp-864932
-8.069286
-5.959369
2.965769
other
Mg2Ag1Pt1
4
225
66.03
mp-862723
-6.10104
-1.250649
4.120107
other
Sc1Tc2Mo1
4
225
62.54
mp-1186210
-6.302976
-1.770438
3.915132
other
Nb2Tc1Os1
4
225
64.8
mp-867223
-8.332993
-2.864174
4.07785
other
Li1Ga2Ni1
4
225
49.69
mp-865049
-8.48093
-4.735416
2.900363
other
Hf1Mg1Pd2
4
225
67.63
mp-865067
-5.965833
-6.477894
3.75687
other
Li2Eu1Ge1
4
225
76.64