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-1185995
-8.515395
-4.23476
2.02858
other
Mn1Pd2Au1
4
225
63.08
mp-1206438
8.904866
0.601388
0.087733
other
Rb2Cu1F6
9
225
147.55
mp-1185445
-7.791081
-6.393951
5.233683
other
Li1Tb1In2
4
225
94.24
mp-1193121
-7.687
-3.014213
5.270332
other
Ti6Al16Ir7
29
225
440.57
mp-983409
-8.695337
-6.202188
6.701656
other
Ho2Mn1Os1
4
225
82.55
mp-1184644
-7.8599
-7.100764
5.680964
other
Ho2Tl1In1
4
225
104.89
mp-1187051
-8.026833
-6.826948
5.891521
other
Sm2Cd1In1
4
225
110.96
mp-865872
-6.233533
-3.267216
4.155819
other
Li1Zr2Re1
4
225
72.4
mp-1206866
-7.749771
-1.590989
3.393333
other
Mn1Ga2Ni1
4
225
53.48
mp-861629
-8.500864
-4.396511
2.24484
other
Li1Mn1Pd2
4
225
56.56
mp-1079998
3.570574
3.462053
-3.714464
other
Co1I2N6
9
225
119.82
mp-1183516
-6.357227
-6.799344
3.595964
other
Ca2Ag1Rh1
4
225
88.2
mp-862657
-8.662311
-4.693153
2.561237
other
Li1Cu1Pd2
4
225
52.58
mp-976343
-9.035385
-5.810814
4.6408
other
Ho1Er1Pd2
4
225
83
mp-1186015
-8.1189
-2.937435
2.730243
other
Mn1Zn1Pt2
4
225
58.18
mp-865640
-7.343495
-1.609776
4.243875
other
Ti1Ge1Ru2
4
225
55.24
mp-1188002
-6.623884
-2.428909
4.238943
other
Zr2Tc1Os1
4
225
70.13
mp-1185374
-6.363904
-7.128298
2.634752
other
Li1Mg1Pb2
4
225
97.21
mp-1186000
-5.952261
-0.951001
4.00115
other
Mn1Tc2As1
4
225
54.11
mp-1183786
-8.906243
-5.394573
6.472171
other
Dy1Ho1Ru2
4
225
76.63
mp-865367
-8.910823
-5.966394
6.736444
other
Tm2Ni1Ru1
4
225
72.95
mp-865653
-5.952703
-1.474377
3.958426
other
Ti1Nb1Re2
4
225
63.15
mp-867208
-5.455061
-7.208548
3.557339
other
Sr2Li1In1
4
225
137.51
mp-861636
-8.750121
-6.118732
6.496097
other
Er2Zn1Os1
4
225
79.6
mp-977436
-7.405276
-1.800541
4.52893
other
Zr1Al1Ru2
4
225
61.23
mp-864892
-9.07091
-6.493523
2.739279
other
Nd1Ag1Au2
4
225
86.57
mp-863740
-8.977723
-6.142025
6.639204
other
Pm2Ir1Ru1
4
225
84.95
mp-862677
-7.251274
-7.391425
4.942851
other
Li1Ho1Tl2
4
225
95.33
mp-863705
-7.743327
-7.035195
6.368106
other
Pm2Mg1Ga1
4
225
104.24
mp-864988
-7.004884
-1.138263
4.362543
other
Mn2Al1Cr1
4
225
57.94
mp-862836
-9.028344
-6.19571
2.79574
other
Pm1Al1Au2
4
225
82.36
mp-867122
-6.248095
-7.648166
5.158495
other
Ac2Cu1Si1
4
225
112.36
mp-971799
-8.264644
-7.747533
4.557563
other
Dy1Y1Hg2
4
225
101.15
mp-1185060
-7.719834
-8.742789
6.726452
other
La1Lu1Mg2
4
225
113.46
mp-866085
-9.113057
-5.471482
6.174956
other
Tm2Ir1Rh1
4
225
75.54
mp-979427
-8.542036
-6.853335
5.336601
other
Y1Ho1Zn2
4
225
89.42
mp-980943
-8.955071
-5.50673
6.197877
other
Y1Tm1Rh2
4
225
77.61
mp-1186432
-7.481989
-6.944321
6.386599
other
Pm2Al1Cd1
4
225
106.68
mp-1185454
-7.686085
-6.367878
4.760833
other
Li1Sc1In2
4
225
84.52
mp-21865
-8.848567
-4.535825
2.978684
other
Fe1Cu2Sn1
4
225
57.99
mp-976148
-4.726394
-6.254536
0.656252
other
K2Rb1Sb1
4
225
155.97
mp-867163
-6.362873
-6.661085
3.195284
other
Sr2Ag1Pt1
4
225
109.88
mp-865152
-8.455439
-4.57726
2.380646
other
Mg1Al1Pd2
4
225
59.12
mp-1110884
-0.702555
1.272114
-4.401231
other
K3Mo1Br6
10
225
373.01
mp-978824
-8.799024
-6.164775
6.510118
other
Sm2Ru1Au1
4
225
91.28
mp-1113076
-1.306113
2.855532
-2.646271
other
Cs3Sc1I6
10
225
542
mp-1187859
-8.974886
-5.507623
6.187994
other
Y1Ho1Rh2
4
225
78.8
mp-1111502
1.354345
2.45558
-5.767893
other
K3Al1Cl6
10
225
298.41
mp-1184976
-7.389492
-6.947757
2.892466
other
Li2Cd1Ag1
4
225
65.63
mp-979421
-8.526591
-6.806633
5.284356
other
Y1Er1Zn2
4
225
88.68
mp-983229
-8.29207
-6.477812
6.319105
other
Pm2Zn1Rh1
4
225
90.78
mp-1185014
-7.098891
-6.371255
6.192639
other
La2Mg1Al1
4
225
116.58
mp-631377
-6.019447
-1.054951
3.786453
other
Re2Pt1Rh1
4
225
60.96
mp-973662
-8.790254
-6.381072
5.528703
other
Lu2Zn1Cu1
4
225
79.13
mp-984682
-6.609191
-5.682234
5.489789
other
Ce2Mg1Al1
4
225
104.97
mp-864670
-6.07503
-1.877329
3.899225
other
Ta2V1Os1
4
225
62.91
mp-1183512
-5.985902
-7.126825
3.21978
other
Ca2Tl1Sn1
4
225
115.09
mp-1187869
-8.653814
-6.458284
4.924279
other
Y1Sc1Zn2
4
225
82.47
mp-985471
-7.805349
-6.419879
4.454496
other
Ce2Zn1Hg1
4
225
106.17
mp-865748
-8.543952
-6.16879
2.721589
other
Yb1Ga1Au2
4
225
80.29
mp-1067817
-4.865866
-6.805783
3.706824
other
Sr2U1Co1
4
225
128.82
mp-862727
-7.431026
-7.140181
6.07354
other
Pm2Zn1Pb1
4
225
108.3
mp-27827
1.398361
2.592921
-5.406358
other
Rb2Ti1Cl6
9
225
249.47
mp-1186750
-8.54564
-5.12287
3.226363
other
Pr1In1Pd2
4
225
83.25
mp-866165
-8.707008
-3.289599
4.142756
other
Y1Mg1Rh2
4
225
69.65
mp-867255
-8.774508
-6.21704
2.618176
other
Li1Zn2Au1
4
225
58.25
mp-1186654
-7.908714
-8.843729
6.871423
other
Pm1Tm1Mg2
4
225
110.13
mp-1183607
-6.605112
-7.089914
3.308443
other
Ca2Pb1Au1
4
225
108.39
mp-1193693
-9.313529
-4.574998
4.536273
other
Er6Al7Cu16
29
225
457.29
mp-1186435
-7.686484
-6.688276
6.365106
other
Pm2Al1Ga1
4
225
99.38
mp-1112341
1.28194
2.568355
-6.123976
other
Cs3Y1Cl6
10
225
417.67
mp-38489
8.441566
13.240078
-0.995151
other
Li1Co7O8
16
225
153.64
mp-1187656
-8.650259
-6.069367
3.089805
other
Yb1Ce1Au2
4
225
96.16
mp-867898
-8.266172
-8.07522
3.115671
other
Dy1Ag1Hg2
4
225
86.84
mp-631345
-5.377052
-4.68529
4.14192
other
K1Zr2Nb1
4
225
94.05
mp-862943
-7.819593
-8.090928
3.687629
other
Na1Pm1Hg2
4
225
100.16
mp-5419
-8.249397
-3.222219
4.903515
other
Li1Ga2Ir1
4
225
54.71
mp-22680
-9.143588
-5.048444
4.374435
other
Dy1In1Cu2
4
225
71.03
mp-980067
-8.826341
-6.039365
5.131614
other
Y1Ho1Cu2
4
225
81.61
mp-1186932
-8.250641
-4.66053
4.202435
other
Sc2Ag1Pt1
4
225
74.55
mp-976260
-8.468445
-6.512832
6.047307
other
Li1Tm2Au1
4
225
90.28
mp-867244
-8.840455
-6.444159
3.075951
other
Li1Gd1Au2
4
225
81.74
mp-1186595
-8.781363
-6.19701
5.216681
other
Pm1Ho1Cu2
4
225
84.47
mp-867927
-7.91252
-2.057432
3.692737
other
Li1V1Ir2
4
225
51.13
mp-866005
-7.814461
-7.257764
5.606849
other
Dy2Tl1Cd1
4
225
104.67
mp-867256
-8.447414
-7.091395
3.428608
other
Dy1Cd1Ag2
4
225
83.04
mp-865738
-8.132871
-8.16151
3.427338
other
Li1Pr1Hg2
4
225
96.33
mp-1184055
-7.541365
-1.286032
4.206657
other
Ga1Fe1Ru2
4
225
52.78
mp-1113156
8.245538
0.498318
0.73092
other
Cs3Pd1F6
10
225
230.44
mp-862334
-8.419064
-3.942619
4.631866
other
Sc2Ir1Rh1
4
225
66.6
mp-1186379
-7.971991
-6.586845
5.707484
other
Nd1Y1In2
4
225
110.74
mp-1110877
1.14494
2.16339
-5.752261
other
K3Tb1Cl6
10
225
355.58
mp-972777
-6.6278
-1.699786
4.831417
other
Si2Os1Ru1
4
225
50.29
mp-5159
-8.214753
-4.802986
3.530246
other
Li1Ga2Pd1
4
225
57.17
mp-867111
-8.444315
-6.437015
6.872124
other
Li1Dy2Ru1
4
225
82.35
mp-5538
-8.456269
-4.898715
2.725759
original
Y1Sn1Pd2
4
225
77.2
mp-865142
-8.930903
-6.665067
5.186418
other
Dy1Mg1Zn2
4
225
77.46
mp-1185442
-8.998958
-5.876997
5.063904
other
Lu2Cu1Pd1
4
225
77.53
mp-1184267
-5.955623
-1.118265
4.129915
other
Er1Tc2W1
4
225
67.98
mp-1184997
-4.670163
-6.556975
1.395816
other
K1Rb1Au2
4
225
131.93