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-1187871
-8.541239
-6.80341
4.66276
other
Y1Tm1Ag2
4
225
92.56
mp-866004
-8.33871
-6.611182
5.475443
other
Er2In1Ag1
4
225
97.63
mp-862777
-8.032763
-2.956987
5.29059
other
Tm1Pa1Ru2
4
225
77.82
mp-862743
-9.030072
-6.390793
2.842098
other
La1Cd1Au2
4
225
92.61
mp-1207085
-6.84635
-0.189567
3.306149
other
Fe2Co1Si1
4
225
43.57
mp-977162
-6.305731
-7.377525
2.330297
other
Na1Tl2Pb1
4
225
121.76
mp-865661
-7.478426
-6.775743
3.817027
other
Yb1Mg1Cd2
4
225
96.03
mp-863743
-7.113363
-7.055159
6.312562
other
Pm2Si1Ag1
4
225
97.36
mp-865503
-8.409055
-7.094362
3.433287
other
Y1Cd1Ag2
4
225
83.67
mp-8414
8.302571
1.117496
1.308665
other
K2Hf1F6
9
225
168.05
mp-982725
-6.142177
-1.751737
3.765368
other
Nb2Ru1W1
4
225
65.9
mp-20265
-8.126528
-5.111434
3.338667
other
Li1In2Pt1
4
225
70.03
mp-974059
-7.8341
-6.483273
5.305181
other
Li1Dy1In2
4
225
93.22
mp-640158
-6.817369
-0.108154
4.492179
other
Hf6Fe16Si7
29
225
380.4
mp-1206967
8.05031
0.740508
1.71805
other
Rb3Lu1F6
10
225
208.68
mp-1187938
-8.59175
-6.319434
2.549568
other
Yb1Ag1Au2
4
225
82.29
mp-1111177
1.17425
2.080608
-5.673938
other
K3Ce1Cl6
10
225
376
mp-973126
-7.094051
-4.806859
0.917732
other
Sc1Bi1Pd2
4
225
77.48
mp-1185448
-8.233285
-7.144326
5.279056
other
Lu2Cd1Hg1
4
225
95.09
mp-631374
-6.959376
-6.240213
5.030882
other
Ti1Tl2W1
4
225
78.35
mp-866220
-7.977579
-6.879335
5.003486
other
Ca1Nd1Zn2
4
225
97.91
mp-1186935
-8.367308
-4.921157
5.282334
other
Sc2Cd1Os1
4
225
74.45
mp-862963
-8.457036
-4.784083
2.696772
other
Pm1Sn1Pd2
4
225
80.78
mp-1186712
-7.81422
-6.823935
5.764075
other
Pr2Zn1In1
4
225
130.99
mp-631522
-7.631423
-2.141811
4.465562
other
La1Os2Rh1
4
225
72.25
mp-1183795
-7.588402
-5.714993
6.567007
other
Dy1Er1Al2
4
225
91.6
mp-972236
-6.111219
-0.738621
3.564847
other
V2Mo1W1
4
225
57.61
mp-862663
-8.821691
-6.468852
2.703085
original
La1Pb1Au2
4
225
97.75
mp-1207196
3.110493
-0.761096
-2.046499
other
Ca2H6Os1
9
225
94.47
mp-1184829
-8.15546
-2.274558
3.393468
other
In1Fe1Rh2
4
225
59.96
mp-1078677
3.13738
-0.783513
-2.100289
other
Sr2H6Os1
9
225
110.81
mp-979042
-8.491347
-6.311795
6.862386
other
Tm2Be1Os1
4
225
75.12
mp-867287
-8.452258
-6.143724
2.355039
other
Li1In1Au2
4
225
70.07
mp-1196556
3.018249
3.085161
-4.34072
other
Nb6Cl12O16
34
225
1,153
mp-866015
-7.908156
-6.866712
4.975105
other
Ca1Pr1Zn2
4
225
99.37
mp-1194097
-7.796898
0.34391
3.566719
other
In1Co22B6
29
225
291
mp-1193985
-7.528868
0.274408
3.617378
other
Ta2Co21B6
29
225
289.19
mp-972635
-8.195232
-7.685246
4.55547
other
Sm1Er1Hg2
4
225
102.85
mp-18451
8.600173
1.135806
2.001667
other
K2Er6F20
28
225
368.7
mp-1183640
-8.393985
-5.32937
2.068631
other
Cd1Hg1Pd2
4
225
69.7
mp-867156
-7.579401
-1.768325
4.571844
other
Sc1Ga1Ru2
4
225
59.44
mp-1184424
-8.037803
-6.616678
5.765235
other
Dy1Y1In2
4
225
105.3
mp-1184277
-6.408901
-6.957815
3.676058
other
Eu2Zn1Ir1
4
225
91.72
mp-861988
-8.222289
-8.035828
3.189417
other
Pr1Ag1Hg2
4
225
94.37
mp-1186959
-7.645797
-6.421601
5.013189
other
Sc2Tl1Zn1
4
225
83.47
mp-973882
-8.925364
-5.470081
5.81523
other
Lu2Pd1Rh1
4
225
76.45
mp-1188004
-6.79881
-2.670645
4.346187
other
Zr2Tc1Rh1
4
225
70.28
mp-865996
-6.743204
-4.566895
0.829656
other
Yb1Sb1Pd2
4
225
76.81
mp-1184360
-8.609185
-6.753189
5.33158
other
Er1Lu1Zn2
4
225
84.69
mp-865488
-5.940652
-1.702829
4.331032
other
Lu1U1Tc2
4
225
76.22
mp-570826
-8.071148
-2.485978
3.394527
other
V1Sn1Rh2
4
225
63.14
mp-1184101
-7.816484
-7.142245
5.554148
other
Er2Tl1Hg1
4
225
101.05
mp-867848
-8.053761
-6.815533
4.524489
other
La1Mg1Cd2
4
225
102.15
mp-1184518
-9.105154
-5.555874
6.361176
other
Gd1Dy1Ir2
4
225
80.83
mp-1187003
-8.817498
-5.958981
6.27987
other
Sm2Ir1Au1
4
225
90.55
mp-862609
-5.937976
-1.219005
4.215754
other
Sc1Re1Tc2
4
225
61.25
mp-1186624
-7.950736
-6.799476
5.836571
other
Pm1Gd1In2
4
225
112.78
mp-1185068
-7.868151
-6.474245
5.555107
other
La1Lu1In2
4
225
111.2
mp-867833
-8.167578
-8.00493
3.457032
other
La1Mg1Hg2
4
225
101.3
mp-1183879
-5.963316
-6.39736
1.182424
other
Eu2Hg1Bi1
4
225
126.61
mp-29562
1.634921
2.885676
-5.056984
other
Tl2Mo1Cl6
9
225
239.39
mp-1186957
-8.297253
-4.212233
4.842741
other
Sc2Os1Rh1
4
225
66.2
mp-1187615
-7.879947
-6.931508
4.476834
other
Yb1Ho1Cd2
4
225
105.74
mp-865569
-6.62259
-1.758618
4.112401
other
Ti2Mn1Ir1
4
225
55.87
mp-864948
-8.050543
-2.898392
2.640618
other
Mn1Ga1Pt2
4
225
59.26
mp-865117
-7.095634
-7.365068
4.84476
other
Na1Er1Tl2
4
225
103.05
mp-1186321
-6.671619
-4.322554
0.930027
other
Np1Sb1Pd2
4
225
77.84
mp-865164
-8.971538
-4.968706
4.214544
other
Hf1Cd1Cu2
4
225
64.31
mp-865157
-8.122026
-6.652606
5.889579
other
Dy2Zn1In1
4
225
97.7
mp-567787
-7.912316
-6.784328
2.464007
other
Li1In1Ag2
4
225
70.88
mp-3042
8.854643
1.275101
1.156756
other
K2Si1F6
9
225
127.13
mp-1187329
-9.133864
-5.481996
6.249085
other
Tb1Dy1Ir2
4
225
79.76
mp-631417
0.78469
1.555335
-2.209923
other
Re1Ru1Cl2
4
225
57.94
mp-865254
-7.905406
-7.797771
3.597145
other
Tb1Yb1Hg2
4
225
104.13
mp-1100785
-6.241117
-6.979477
3.684886
other
Sr1Eu1In2
4
225
128.46
mp-1186566
-7.653217
-7.444115
5.690145
other
Pm1Er1Tl2
4
225
109.78
mp-582759
-7.751084
-1.883253
2.734158
other
Ti6Ni16Ge7
29
225
371.54
mp-1183478
-7.924206
-6.945737
5.026262
other
Ca1Dy1Zn2
4
225
92.04
mp-1183625
-6.59943
-6.90354
4.032304
other
Ca1Yb1In2
4
225
113.45
mp-567210
-8.955122
-6.341478
2.844734
other
Tb1In1Au2
4
225
84.1
mp-865535
-6.943559
-7.522658
5.073641
other
Ac2Zn1Ga1
4
225
119.99
mp-1187270
-8.848405
-5.99318
6.43928
other
Tb2Zn1Ir1
4
225
85.69
mp-972274
-8.284029
-7.040819
5.379024
other
Tm2Zn1Hg1
4
225
91.15
mp-1201436
-6.759953
-3.702136
3.456194
other
Ho6Si22Pt46
74
225
1,201.73
mp-979291
-6.960119
-1.562355
4.288873
other
Ta1Zn1Os2
4
225
59.58
mp-1186674
-8.542598
-7.574335
4.286114
other
Pm1Zn2Hg1
4
225
83.14
mp-1226521
-7.431012
-9.193759
6.530071
other
Ce1Mg2Fe1
4
225
86.64
mp-1183198
-5.577838
-6.940021
3.195899
other
Ba2Cd1Sn1
4
225
153.52
mp-1184323
-7.697564
-2.244231
5.062575
other
Er1Pa1Os2
4
225
79.56
mp-867173
-7.442212
-7.685059
2.37288
other
Sr1In1Hg2
4
225
106.61
mp-1193205
-8.139529
-3.569047
4.865939
other
Zr6Ga16Rh7
29
225
480.62
mp-1186602
-8.053252
-7.82272
4.694452
other
Pm1Nd1Hg2
4
225
109.8
mp-1193061
-8.444818
-0.30234
2.411819
other
Mn2Ni21B6
29
225
281.65
mp-1183313
-5.615689
-7.20272
2.882554
other
Ba2Tl1Hg1
4
225
150.87
mp-1185069
-7.500046
-7.318255
5.468339
other
La1Lu1Tl2
4
225
113.66
mp-1184070
-8.58807
-6.053271
6.020994
other
Dy2Zn1Pt1
4
225
87.81
mp-864624
-8.627749
-2.982164
3.841107
other
Ho1Zn1Rh2
4
225
64.95
mp-861956
-8.456812
-6.584184
6.677453
other
Li1Pm2Ir1
4
225
90.04
mp-865729
-7.482011
-6.688189
2.608668
other
Ca1Ag2Sn1
4
225
89.08
mp-1212872
-8.213121
-4.407905
2.159194
other
Er3Si6Pd20
29
225
453.43