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-862835
-8.181412
-4.032172
3.215929
other
Pa1Zn1Pt2
4
225
74.66
mp-1111695
8.936162
0.869869
1.158528
other
K3Cr1F6
10
225
165.36
mp-1183862
-8.758874
-5.899854
5.1499
other
Dy1Er1Cu2
4
225
80.09
mp-1187709
-8.612208
-6.707152
5.294863
other
Y2Zn1Au1
4
225
91.58
mp-861588
-8.474845
-6.25179
6.68727
other
Pr2Cu1Ru1
4
225
91.99
mp-998965
-6.963893
0.009634
4.638779
other
Ti1In1Fe2
4
225
56.34
mp-864795
-7.083151
-7.74259
4.650863
other
Ac2Sn1Hg1
4
225
134.69
mp-636320
-6.795029
-0.177032
3.922907
other
Ti1Ga1Fe2
4
225
48.44
mp-864601
-8.046549
-8.929412
4.972399
other
Li1Mg2Rh1
4
225
63.55
mp-1206796
-8.410126
-5.245305
2.9235
other
Lu1Pd2Pb1
4
225
79.49
mp-866115
-6.591706
-1.617771
3.914265
other
Be2Pd1Rh1
4
225
43.19
mp-1205591
8.612088
1.039388
0.655039
other
Al1Ag3F6
10
225
147.43
mp-1187002
-7.683646
-6.900177
6.491667
other
Sm2Mg1Cd1
4
225
111.38
mp-1112977
-1.189439
2.960572
-3.075232
other
Cs3Bi1I6
10
225
605.75
mp-1183042
-7.084409
-1.798543
4.869297
other
Zr1Si1Ru2
4
225
59.03
mp-1184082
-8.233981
-6.97744
5.251611
other
Er2Zn1Hg1
4
225
92.47
mp-1110813
-1.178649
2.587164
-2.952162
other
Na3Sb1I6
10
225
455.7
mp-975608
-7.105489
-6.377697
2.815478
other
Li2Tl1Pt1
4
225
63.97
mp-867292
-7.892855
-2.008652
4.080567
other
Ga2Ru1Rh1
4
225
53.87
mp-863732
-8.716659
-5.772904
5.847179
other
Pm2Pt1Rh1
4
225
88.25
mp-972400
-6.92695
-4.796356
0.768601
other
Tm1Bi1Pd2
4
225
82.24
mp-861639
-7.151065
-1.853046
4.045172
original
Ti2Co1Ir1
4
225
57.09
mp-1006256
-7.413683
-7.217484
5.392291
other
Ce1Y1Tl2
4
225
113.61
mp-974642
-7.347955
-6.849936
2.429847
other
Li1Ag2Pb1
4
225
78.65
mp-1200984
-6.749835
-3.651081
3.448508
other
Dy6Si22Pt46
74
225
1,228.07
mp-864788
-7.130919
-1.683269
4.340216
other
Nb1In1Ru2
4
225
64.33
mp-865515
-8.880991
-6.754916
5.19194
other
Y1Mg1Zn2
4
225
78.19
mp-3640
-7.24521
-1.754776
2.870711
other
Nb6Si7Ni16
29
225
349.8
mp-861985
-9.135005
-5.3319
6.054442
other
Er2Ir1Rh1
4
225
76.58
mp-12129
-8.640406
-5.095856
3.239918
other
Lu1In1Pd2
4
225
73.74
mp-865048
-7.930166
-2.248109
3.946512
other
Ti1Zn1Ir2
4
225
56.45
mp-631880
-4.978773
-7.399545
3.487206
other
Na2Sr1Fe1
4
225
111.7
mp-1232420
-8.319754
-8.205741
5.037411
other
Li1Mg2Ir1
4
225
62.8
mp-864716
-9.036496
-6.446763
2.707711
other
Pa1Ga1Au2
4
225
80.97
mp-865518
-8.518281
-2.919549
3.576071
other
Y1Sn1Rh2
4
225
72.31
mp-867813
-7.685302
-6.140991
6.593317
other
Li1La2Os1
4
225
95.24
mp-1184958
-6.630599
-7.170787
2.975448
other
Li2Tl1In1
4
225
78.76
mp-1183762
-7.259663
-6.303304
4.650479
other
Ce2Cd1Pb1
4
225
118.51
mp-723385
8.099921
2.55914
-1.303851
other
Fe1N3F6
10
225
115.76
mp-1186639
-8.232698
-5.877983
2.682814
other
Pm1Pu1Au2
4
225
97.71
mp-865813
-6.566566
-7.228389
3.712564
other
Yb1Mg1Tl2
4
225
104.58
mp-1186588
-7.351182
-5.963666
6.621573
other
Pm1Ho1Al2
4
225
95.62
mp-1185450
-6.740234
-5.85988
5.822343
other
Li1Th2Tc1
4
225
94.3
mp-1183564
-8.841474
-6.405998
3.237719
other
Ca1Nd1Au2
4
225
97.39
mp-1183196
-7.83052
-7.052505
3.67122
other
Ac1Yb1Ag2
4
225
112.82
mp-861498
-7.518188
-7.021243
5.645871
other
Pr2Hg1Pb1
4
225
118.81
mp-865114
-7.13741
-7.395182
4.873576
other
Na1Dy1Tl2
4
225
104.79
mp-866088
-6.848825
-2.41227
4.390281
other
Hf2Co1Tc1
4
225
65.49
mp-1186249
-7.995858
-6.799726
5.458127
other
Nd2In1Hg1
4
225
114.47
mp-1186121
-7.282106
-6.954965
2.597349
other
Na1Cd2In1
4
225
93.15
mp-28022
1.253135
2.014192
-5.515297
other
Na6Cd1Cl8
15
225
351.79
mp-865855
-6.305412
-7.534288
5.220319
other
Ac2Si1Pd1
4
225
113.5
mp-1183690
-8.098454
-2.135069
3.58582
other
Cr1Ga1Rh2
4
225
54.47
mp-973956
-8.513514
-6.79308
5.033333
other
Lu2Cd1Ag1
4
225
92.26
mp-865130
-6.530901
-2.809723
4.31146
other
Hf2Mo1Rh1
4
225
69.4
mp-865833
-8.081721
-6.656316
4.838835
other
La1Yb1Zn2
4
225
101.3
mp-1185428
-6.628627
-2.832508
4.049314
other
Li1Ti2Ir1
4
225
59.13
mp-972238
-6.445144
-2.044062
4.116984
other
Ti2V1Ir1
4
225
60.07
mp-5221
-7.682227
-1.489079
4.009315
other
Hf1Al1Co2
4
225
53.75
mp-1187926
-8.545338
-4.889556
2.047848
other
Zn1Ag1Pd2
4
225
62.69
mp-865123
-8.486561
-4.526682
2.34566
other
Mg1Ga1Pd2
4
225
59.55
mp-861909
-8.341642
-2.744981
3.420302
other
Cd1Ga1Rh2
4
225
59.87
mp-865303
-9.029801
-5.994672
6.737606
other
Tm2Co1Os1
4
225
72.46
mp-1184222
-8.637527
-5.055529
3.215814
other
Er1Zn1Pd2
4
225
71.34
mp-1187799
-8.38154
-5.043301
3.015989
other
Yb1Zn1Pd2
4
225
68.96
mp-984534
-9.03334
-6.008049
6.679517
other
Dy2Os1Pd1
4
225
82.3
mp-1183207
-5.022715
-6.39156
1.443438
other
Ba2Ag1Bi1
4
225
151.19
mp-1110799
-0.486211
1.248105
-4.265942
other
Na3As1Br6
10
225
334.14
mp-1183810
-8.833548
-5.981737
5.146929
other
Dy1Lu1Cu2
4
225
78.53
mp-865214
-8.862184
-6.059775
6.557076
other
Lu2Tc1Ag1
4
225
82.05
mp-862909
-8.819656
-6.18672
2.71135
other
Pm1Ge1Au2
4
225
84.32
mp-11234
-7.923547
-8.162001
5.639393
other
Pr1Mg2Ag1
4
225
93.94
mp-4364
-7.086134
-1.1201
3.491835
other
Nb1Ga1Co2
4
225
52.38
mp-867826
-8.203444
-8.081043
3.50834
other
Dy1Mg1Hg2
4
225
89.87
mp-865270
-6.781972
-2.124843
4.310026
other
Tm1Ta1Os2
4
225
68.38
mp-972877
-8.261384
-4.280069
4.832121
other
Sc2Al1Ir1
4
225
71.94
mp-19904
-6.511899
-2.495844
1.534853
other
Zr1Ni2Sb1
4
225
63.16
mp-984049
-8.214621
-6.468395
4.933323
other
Ce1Y1Zn2
4
225
94.07
mp-977407
-6.754454
-2.781218
4.329499
other
Hf2Re1Rh1
4
225
68.69
mp-866152
-7.164104
-1.001535
3.692063
other
Ti1Be1Co2
4
225
42.64
mp-1184237
-7.693238
-2.56803
5.05742
other
Er1Zr1Ru2
4
225
71.86
mp-1184120
-9.146646
-5.450439
6.183473
other
Dy1Tm1Ir2
4
225
77.53
mp-979430
-7.565744
-7.397017
5.599555
other
Y1Lu1Tl2
4
225
105
mp-865737
-6.639661
-6.927888
2.785807
other
Li2In1Sn1
4
225
78.2
mp-979267
-5.933245
-1.587395
3.964492
other
Ta2Fe1Mo1
4
225
61.39
mp-862891
-8.974841
-6.203661
2.814676
other
Pm1Cd1Au2
4
225
87.13
mp-1185368
-6.646851
-7.023304
3.301151
other
Li1Mg1In2
4
225
85.18
mp-864916
-6.891104
-2.584764
4.381339
other
Hf2Tc1Rh1
4
225
68.01
mp-1184075
-8.425364
-7.146363
4.966472
other
Er2Ag1Hg1
4
225
94.55
mp-1183596
-8.527827
-5.729029
3.956019
other
Ca1Lu1Pd2
4
225
83.56
mp-1184787
-7.931326
-8.946659
6.878304
other
Ho1Er1Mg2
4
225
106.82
mp-1183796
-7.586835
-8.834513
6.519081
other
Ce1Tm1Mg2
4
225
111.35
mp-977541
-6.699453
-2.323203
4.319957
other
Hf2Tc1Os1
4
225
68
mp-867873
-7.667996
-6.285528
6.476188
other
Li1Tm2Al1
4
225
91.94
mp-16494
-9.356793
-4.380992
3.715415
other
Al1Cr1Cu2
4
225
52.27
mp-1186942
-7.988352
-4.800993
4.787649
other
Sc2Ga1Ni1
4
225
68.97
mp-862926
-8.777061
-6.270084
2.853716
other
Li1Pm1Au2
4
225
84.52
mp-973133
-8.620894
-4.764998
3.03341
other
Sc1Cu1Pd2
4
225
61.25
mp-568537
-8.565941
-6.252712
2.66603
other
Yb1In1Au2
4
225
86.23
mp-1186473
-8.632799
-6.316251
5.520457
other
Pm2Pd1Au1
4
225
95.46