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-861646
-8.613746
-3.111242
3.870065
other
Th1Cd1Rh2
4
225
77.88
mp-1084748
3.949105
3.800159
-3.658303
other
Ni1N6Cl2
9
225
118.92
mp-862994
-7.572742
-6.708722
6.10424
other
Pm2Cd1Ge1
4
225
102.61
mp-1186950
-8.156808
-6.069585
4.783349
other
Sc2In1Hg1
4
225
88.19
mp-862822
-8.499246
-4.921701
2.939115
other
Pa1Sn1Pd2
4
225
80.22
mp-1185094
-7.520227
-7.386596
5.514374
other
La1Pm1Tl2
4
225
120.72
mp-1187927
-7.758584
-7.67392
3.246946
other
Yb1Al1Hg2
4
225
89.62
mp-862876
-8.079705
-6.973191
3.053578
other
Pm1Ag2Pb1
4
225
92.39
mp-984544
-8.910383
-6.147204
6.512049
other
Dy2Zn1Ir1
4
225
84.67
mp-864668
-8.897285
-6.363949
2.726112
other
Nd1Sn1Au2
4
225
90.44
mp-862979
-7.723448
-6.847378
6.069725
other
Pm2Ag1Ge1
4
225
98.6
mp-1113117
8.417421
0.61788
1.272509
other
Cs3Ga1F6
10
225
207.89
mp-10872
-8.79703
-5.939548
2.804611
other
Hf1Al1Au2
4
225
72.66
mp-1186224
-5.953536
-1.261034
4.102057
other
Nb1Ga1Tc2
4
225
60.65
mp-977422
-8.721331
-6.069562
2.694786
other
Np1Cd1Au2
4
225
87.64
mp-1211466
-8.164999
-4.418413
2.215544
other
La3Si6Pd20
29
225
473.19
mp-560562
8.895787
0.504826
0.557157
other
Rb2Cr1F6
9
225
166.36
mp-972899
-8.34289
-4.433404
4.845927
other
Sc2Ga1Ir1
4
225
71.5
mp-1186343
-8.170895
-7.723116
4.545372
other
Nd1Gd1Hg2
4
225
107.85
mp-864764
-6.315832
-1.540159
4.048302
other
Ta2Fe1Os1
4
225
61.7
mp-865351
-8.794779
-6.258469
6.763054
other
Tm2Zn1Ru1
4
225
78.86
mp-1185466
-7.935864
-4.250216
3.553091
original
Li1Th1Pt2
4
225
80.6
mp-978564
-7.567623
-7.44699
5.569164
other
Sm1Y1Tl2
4
225
111.03
mp-1186174
-7.29891
-7.13659
5.80047
other
Na1Pm2Sn1
4
225
113.72
mp-1183873
-7.662791
-6.571982
4.843277
other
Ce1Eu1Zn2
4
225
100.25
mp-1183842
-8.559168
-6.8066
5.340939
other
Dy1Er1Zn2
4
225
87.94
mp-631465
-6.19747
-1.411582
4.161102
other
Y1Rh1W2
4
225
69.83
mp-864998
-6.513052
-4.523885
3.187567
other
Ca1Pu1Rh2
4
225
77.5
mp-862791
-8.216483
-3.055879
2.944103
other
Ga1Cu1Pt2
4
225
57.38
mp-867325
-6.064933
-4.603238
2.194979
other
Pu2Hg1Sb1
4
225
107.64
mp-866168
-8.447659
-4.637582
2.731526
other
Ti1In1Pd2
4
225
65.82
mp-867263
-8.039397
-7.862382
3.290396
other
Sc1Cd1Hg2
4
225
84.01
mp-865744
-8.285046
-5.262392
2.992383
other
Yb1Cd1Pd2
4
225
75.68
mp-976743
-7.881759
-6.455683
5.884585
other
Li1Er2In1
4
225
99.57
mp-1184520
-8.107869
-6.895566
5.542141
other
Gd1Tm1Cd2
4
225
102.63
mp-1183448
-5.942715
-7.095971
3.864997
other
Ca2Cd1Ga1
4
225
103.78
mp-1187537
-8.569923
-5.534859
3.680898
other
Yb1Tm1Pd2
4
225
83.01
mp-867344
-9.029173
-5.852141
6.588617
other
Er2Ni1Os1
4
225
74.75
mp-867113
-4.91503
-5.602511
0.824371
other
Ca2As1Au1
4
225
94.56
mp-1185750
-7.453541
-7.541148
2.663718
other
Mg2Ag1Hg1
4
225
76.53
mp-22037
6.848095
11.469763
-1.384774
other
Cu6Pb1O8
15
225
160.61
mp-977393
-8.592202
-6.175086
6.727928
other
Li1Lu2Ru1
4
225
76.98
mp-1183677
-7.405193
-6.246065
4.913313
original
Ca1Ce1In2
4
225
115.64
mp-862706
-7.221843
-1.052054
3.180054
other
Be1Co2Ge1
4
225
40.21
mp-861617
-8.921111
-6.610642
2.626274
other
La1Hg1Au2
4
225
93.42
mp-1185423
-8.244998
-4.875461
2.982415
other
Li1Zr1Pd2
4
225
65.34
mp-1183828
-8.172144
-6.882296
5.352758
other
Dy1Er1Cd2
4
225
101.47
mp-865044
-8.227998
-2.667253
3.839346
other
Mg1In1Ir2
4
225
64.87
mp-865650
-6.530144
-1.65777
4.12253
other
Ti2Tc1Ru1
4
225
58.4
mp-690667
7.128777
9.243689
-1.884909
other
Ag7N1O8
16
225
251.51
mp-973432
-8.563066
-4.331316
4.964304
other
Lu1Sc1Rh2
4
225
69.99
mp-865860
-6.821096
-6.877814
4.709174
other
Li2Tm1In1
4
225
76.82
mp-867137
-7.451418
-1.593835
4.343576
other
Sc1V1Ru2
4
225
58.73
mp-1187378
-8.572371
-5.557538
3.649539
other
Tb1Yb1Pd2
4
225
85.07
mp-1079023
8.383119
2.243899
-1.070015
other
Si1N2F6
9
225
109.97
mp-1184617
-8.820791
-6.542957
5.172848
other
Ho2Zn1Au1
4
225
88.92
mp-867182
-8.685196
-6.310924
6.642263
other
Sm2Zn1Ir1
4
225
90.32
mp-1184590
-7.666977
-7.064108
5.646228
other
Ho2Mg1Tl1
4
225
104.47
mp-1209116
8.427772
1.22089
2.029412
other
Rb2Sm6F20
28
225
417.83
mp-1206806
8.770393
1.049208
0.411544
other
Cr1Ag3F6
10
225
157.83
mp-863735
-8.483109
-2.893961
3.437803
other
Er1Rh2Pb1
4
225
73.9
mp-864761
-6.224321
-1.840955
4.079859
other
Ta2Mn1Os1
4
225
60.7
mp-1079970
1.628211
2.351734
-3.645674
other
Se1Br6O2
9
225
235.73
mp-1186569
-7.926249
-7.99675
3.633119
other
Pm1Eu1Hg2
4
225
111.89
mp-1183106
-6.897844
-7.634674
5.012999
other
Ac2Zn1In1
4
225
130.64
mp-1078528
2.387497
2.893653
-4.142183
other
Ir1N2Cl6
9
225
234.5
mp-1185260
-6.587039
-2.221668
1.094848
other
Li1Ni2Sb1
4
225
52.19
mp-862992
-9.085127
-5.650949
6.287649
other
Er2Ni1Ir1
4
225
75.03
mp-1185046
-7.492108
-7.315121
5.466
other
La1Tm1Tl2
4
225
114.54
mp-1187499
-7.794334
-1.937669
3.907267
other
Ti1Mn1Ir2
4
225
58.15
mp-1183569
-8.579906
-5.794785
4.098935
other
Ca1Ho1Pd2
4
225
86.5
mp-865988
-8.054823
-8.109886
3.269768
other
Lu1Cd1Hg2
4
225
87.78
mp-1186021
-6.817632
-7.273685
2.267102
other
Na2Hg1Au1
4
225
90.35
mp-867119
-8.427834
-4.779603
3.005668
other
Li1Hf1Pd2
4
225
63.67
mp-1183450
-6.363451
-7.242606
3.513633
other
Ca2Ga1Hg1
4
225
102.31
mp-862288
-6.800763
-0.01858
3.621768
other
Al1Fe2W1
4
225
49.27
mp-1186438
-8.337592
-6.779766
5.231173
other
Pm2Ag1Au1
4
225
100.16
mp-1183722
-7.607411
-8.431561
6.485355
other
Ce1Pr1Mg2
4
225
115.45
mp-1183182
-7.831483
-7.375783
4.83416
other
Ac1Mg1Zn2
4
225
96.69
mp-1110886
-0.425424
1.162226
-4.506577
other
K3Ga1Br6
10
225
364.15
mp-866279
-8.309991
-5.627493
2.910983
other
Ca1Cd1Pd2
4
225
78.27
mp-866285
-7.702379
-2.058052
4.283376
other
Er1Sn1Ru2
4
225
69.72
mp-1184622
-8.937016
-6.789035
4.350751
other
Ho2Ag1Au1
4
225
90.84
mp-643243
3.256183
-0.680142
-2.464305
other
Cs2H6Pt1
9
225
180.58
mp-1184690
-8.554364
-6.129194
6.738871
other
Ho2Mg1Ru1
4
225
86.8
mp-861971
-8.940955
-4.968435
4.213102
other
Pa1Ga1Cu2
4
225
66.94
mp-1187101
-5.940478
-6.616706
3.312304
other
Sr2Zn1Pt1
4
225
107.67
mp-865091
-8.269439
-2.441245
3.801052
other
Hf1Mn1Rh2
4
225
62.43
mp-1185824
-8.415771
-6.217324
1.972906
other
Mg1Ag1Au2
4
225
69.92
mp-567573
-0.418653
0.742403
-4.110128
other
Rb2U1Br6
9
225
334.01
mp-9262
8.303013
0.891833
0.334895
other
Cs2Pt1F6
9
225
181.39
mp-1183181
-7.622495
-8.948575
6.521548
other
Ac1Pr1Mg2
4
225
130.43
mp-865178
-7.635011
-3.360403
4.383626
original
Hf2Ir1Rh1
4
225
68.96
mp-867829
-8.290925
-2.423746
3.565866
other
Li1V1Rh2
4
225
50.59
mp-861598
-8.706849
-6.294263
6.737134
other
Ho2Zn1Os1
4
225
82.49
mp-1008491
-3.086711
-3.753442
0.776758
other
Be1Si1P2
4
225
51.36
mp-1184263
-6.485664
-7.18908
3.228261
other
Eu2Tl1Hg1
4
225
120.53
mp-977352
-8.427939
-6.34464
4.905645
other
Th1Mg1Zn2
4
225
85.13
mp-1079654
-7.83037
-4.335803
5.72668
other
Sm2Mn1Ga6
9
225
170.79
mp-31185
-7.191489
-0.132366
4.101582
other
Mn1Al1Fe2
4
225
45.14