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-1187401
-8.272422
-7.838817
3.21415
other
Th1Ag1Hg2
4
225
94.74
mp-865504
-8.372412
-6.788232
3.662611
other
Y1Al1Ag2
4
225
78.49
mp-999187
-2.992794
-3.920488
0.475322
other
Si1Hg1P2
4
225
70.99
mp-1185349
-5.957353
-7.298842
3.550527
other
Li1Eu2Hg1
4
225
120.58
mp-865482
-5.911094
-1.128593
3.919655
other
V1Tc2Ge1
4
225
54.88
mp-1191096
3.4257
-0.778808
-2.426866
other
Mg6V1H16
23
225
207.22
mp-15635
8.652537
1.547826
1.280832
other
Ti1Tl3F6
10
225
201.91
mp-1205990
2.495933
2.895919
-4.190251
other
Nb1N2Cl6
9
225
258.32
mp-1186396
-8.120881
-4.000645
3.134492
other
Pa1Ga1Pt2
4
225
75.71
mp-1183895
-6.633673
-7.022707
3.497637
other
Eu2Ga1Hg1
4
225
111.56
mp-971921
-8.242455
-7.718148
4.514073
other
Tb1Sm1Hg2
4
225
104.94
mp-34023
-4.880151
-6.907496
3.709831
other
Ba2Nb1O1
4
225
121.76
mp-1111895
1.264778
2.086365
-5.497698
other
Na3Dy1Cl6
10
225
300.26
mp-1187344
-8.314684
-7.669716
4.542497
other
Tb1Ho1Hg2
4
225
100.69
mp-867236
-9.023224
-5.6968
6.256732
other
Tb2Ir1Pd1
4
225
82.54
mp-866010
-8.553462
-6.446001
2.601532
other
Ca1Cd1Au2
4
225
84.61
mp-865869
-6.4094
-1.705889
4.314823
other
Be2Cu1Pt1
4
225
42.25
mp-1186465
-9.025333
-5.594558
6.341383
other
Pr1Sm1Ir2
4
225
88.9
mp-973538
-7.917916
-6.113478
6.362946
other
Lu2Al1Zn1
4
225
84.68
mp-867139
-8.391245
-6.112748
6.536059
other
Li1Er2Tc1
4
225
83.13
mp-864625
-9.084026
-5.470709
6.169284
other
Ho2Ir1Rh1
4
225
77.8
mp-1110691
1.21574
2.390724
-5.95489
other
Rb3Tm1Cl6
10
225
372.36
mp-867349
-7.611075
-7.187354
5.711113
other
Dy2Mg1Tl1
4
225
105.92
mp-631527
-5.48092
-6.191858
3.246463
other
In2Ge1B1
4
225
79.71
mp-1110692
1.264616
2.392757
-5.925994
other
Rb3Sc1Cl6
10
225
339.93
mp-867187
-8.304961
-2.993189
4.096412
other
Sc1In1Ir2
4
225
66.42
mp-1186795
-7.909978
-6.106374
2.372581
other
Pu1Pb1Au2
4
225
93.12
mp-1187738
-7.354464
-1.556594
4.08963
other
V1Sn1Ru2
4
225
59.84
mp-862367
-8.144048
-4.314115
4.929744
other
Sc2Ni1Ru1
4
225
63.91
mp-1067042
-4.243473
-8.517898
6.70992
other
Li1Mg2Si1
4
225
72.6
mp-979044
-9.129571
-6.256038
4.902905
other
Tm2Cu1Au1
4
225
84.83
mp-862936
-8.298007
-6.928189
3.635443
other
Pm1Mg1Ag2
4
225
88.34
mp-1185884
-8.279522
-5.304719
2.057096
other
Mg1Hg1Pd2
4
225
67.09
mp-861510
-7.674844
-6.850564
4.862509
other
Pr2Sn1Hg1
4
225
116.46
mp-861654
-8.599943
-5.064517
3.207848
other
Ho1In1Pd2
4
225
76.12
mp-1183880
-5.114898
-5.679599
0.838807
other
Eu2As1Au1
4
225
104.72
mp-1193581
-8.46349
-0.522143
2.550623
other
Hf3Ni20B6
29
225
302.3
mp-1184167
-8.133551
-4.097884
3.377501
other
Er1Cd1Pt2
4
225
75.22
mp-1111499
1.523089
2.608897
-5.696887
other
K3Au1Cl6
10
225
327.12
mp-1206562
8.587637
1.041302
0.892324
other
Na1Tl3F6
10
225
167.45
mp-1187521
-7.793708
-6.923506
4.463346
other
Yb1Y1Cd2
4
225
107.1
mp-1193982
-5.891427
-0.138123
3.394991
other
Cr22Mo1C6
29
225
298.55
mp-30347
-8.416142
-6.665282
3.443624
other
Sc1In1Ag2
4
225
76.8
mp-631474
-6.167256
-5.264801
0.474083
other
Bi1Sb2Os1
4
225
91.62
mp-1185028
-5.588204
-6.958448
3.951889
other
Li2Ca1Al1
4
225
84.78
mp-864780
-8.9169
-6.249472
2.749843
other
Pa1Al1Au2
4
225
81.07
mp-866218
-6.651082
-1.933982
4.188718
other
Ti2Mn1Rh1
4
225
55.44
mp-1184057
-8.342645
-4.35759
2.1368
other
Cu1Sn1Pd2
4
225
61.75
mp-19442
7.977724
12.532567
-0.993034
other
Mn1Ni6O8
15
225
144.66
mp-861953
-8.089335
-1.990476
3.37391
other
Al1Fe1Rh2
4
225
53.3
mp-4652
-8.2172
-2.567867
3.077853
other
Mn1Rh2Pb1
4
225
66
mp-861662
-8.369426
-4.46001
4.872482
other
Ca1Zr1Rh2
4
225
74.74
mp-11537
-7.219392
-1.621867
4.446958
other
Nb1Al1Ru2
4
225
58.82
mp-1183618
-7.626676
-7.052814
4.797985
other
Ca1Gd1Cd2
4
225
108.12
mp-27826
1.554864
2.893027
-5.172369
other
K2Mo1Cl6
9
225
237.67
mp-980387
-9.079386
-5.551012
6.236168
other
Dy1Y1Ir2
4
225
79.48
mp-865735
-6.189255
-6.445315
3.898798
other
Li2Yb1Ge1
4
225
70.98
mp-980054
-8.484553
-6.435784
2.451274
other
Yb1Pb1Au2
4
225
91.99
mp-1186607
-7.632129
-7.429539
5.667988
other
Pm1Lu1Tl2
4
225
108.42
mp-28828
1.419655
2.287452
-5.426347
other
Li6Fe1Cl8
15
225
274.95
mp-15724
-4.9678
-6.248139
0.70345
other
K1Na2Sb1
4
225
114.34
mp-866114
-6.088715
-1.052809
4.166723
other
Hf1Tc2W1
4
225
63.88
mp-978988
-8.335899
-7.733456
4.533655
other
Tb1Tm1Hg2
4
225
99.3
mp-863251
-5.317929
-6.209591
1.067491
other
Sr2Sb1Au1
4
225
123.01
mp-1186257
-8.076931
-7.044717
5.410575
other
Nd2Zn1Hg1
4
225
107.62
mp-1213489
-7.707161
-4.288189
1.39403
other
Gd3P6Pd20
29
225
466.72
mp-29633
-8.262688
-4.458549
2.041752
other
Li1Ge1Pd2
4
225
54.65
mp-1078746
3.196638
-0.475516
-2.181618
other
Sr2Fe1H6
9
225
101.94
mp-1187942
-7.811469
-7.696992
2.682692
other
Yb1Ag1Hg2
4
225
90.55
mp-976596
-8.006346
-6.325757
6.282794
other
Li1Lu2Ga1
4
225
87.5
mp-865398
-7.257944
-7.023151
5.057163
other
Ac2Zn1Ir1
4
225
108.2
mp-978815
-7.752841
-7.24498
5.705272
other
Sm2Tl1Zn1
4
225
105.6
mp-1205772
1.638011
2.719302
-5.798528
other
Cs2Mn1Cl6
9
225
271.07
mp-1185915
-5.943037
-1.55586
4.262183
other
Mg1Pa1Tc2
4
225
69.48
mp-1111450
1.485707
2.403403
-5.417265
other
Na3Al1Cl6
10
225
252.01
mp-1110662
8.260631
1.13246
1.454892
other
Rb2In2F6
10
225
197.68
mp-865363
-8.618721
-6.184115
6.762403
other
Tm2Mg1Ru1
4
225
84.58
mp-1110812
-1.19488
2.45757
-2.572953
other
Na3Sc1I6
10
225
425.87
mp-862694
-7.985271
-2.27883
3.936462
other
Al2Ir1Rh1
4
225
53.32
mp-1187850
-7.965632
-8.984221
7.001744
other
Y1Ho1Mg2
4
225
109.23
mp-865577
-7.850207
-6.664849
2.594082
other
Li2Cd1Au1
4
225
62.5
mp-1184199
-6.711726
-7.155603
3.339178
other
Eu2Ag1Pb1
4
225
118.9
mp-866204
-7.142469
-7.180409
6.292935
other
Pm2Si1Hg1
4
225
101.21
mp-1192183
3.430393
-0.724748
-2.376864
other
Mg7V1H16
24
225
200.31
mp-866376
-6.565056
-0.792584
3.860943
other
Ti1Mn2Ge1
4
225
50.62
mp-864977
-8.896486
-6.282779
6.756841
other
Dy2Ag1Os1
4
225
85.79
mp-27508
-0.057496
1.785078
-3.955195
other
Li6Br3N1
10
225
184.97
mp-865803
-6.034786
-1.82076
3.725707
other
Ti2Mo1Pt1
4
225
61.39
mp-1206917
-8.485162
-4.702116
3.381177
other
Ti1Cu2Sn1
4
225
61.87
mp-865789
-8.001132
-6.797261
2.830397
other
Yb1In1Ag2
4
225
86.83
mp-867142
-8.943671
-5.894643
6.397194
other
Sm2Ir1Pd1
4
225
86.96
mp-976426
-8.105022
-8.19255
3.490942
other
Li1Lu1Hg2
4
225
83.37
mp-1187217
-7.881457
-4.701575
3.552127
other
Sr1Pm1Pt2
4
225
93.27
mp-865279
-9.099705
-6.286656
6.885442
other
Tm2Ag1Os1
4
225
80.7
mp-1110734
1.324222
2.653778
-5.899224
other
Rb3Bi1Cl6
10
225
380.58
mp-1186406
-6.120416
-1.360557
4.355786
original
Pa1Tc2Sn1
4
225
74.41
mp-973841
-7.553988
-6.197361
6.42761
other
Li1Ho2Al1
4
225
94.77
mp-1183634
-8.441878
-6.155399
2.041084
other
Cd1Ag1Au2
4
225
72.67
mp-865401
-8.570715
-6.217269
6.704474
other
Tm2Zn1Tc1
4
225
81.47
mp-979917
-8.959614
-5.583025
6.259522
other
Dy1Y1Rh2
4
225
79.38