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-20336
-6.94364
-4.861827
3.454599
other
U1Sn3
4
221
102.31
mp-7131
-5.737281
-4.082684
-0.981423
other
Pr1Te1
2
221
59.66
mp-2426
-7.459551
-6.846521
2.630432
other
Li1Ag1
2
221
30.45
mp-2484
-7.140076
-5.719828
3.571036
other
Sm1Sn3
4
221
106.06
mp-2667
-4.41701
-6.591173
1.49921
other
Cs1Au1
2
221
78.56
mp-11407
-8.046463
-2.878541
2.683645
other
Ga1Pt3
4
221
59.77
mp-1183143
-8.083391
-4.330702
1.943801
other
Al1Pd3
4
221
58.17
mp-1187304
-6.878594
-6.801552
6.986746
other
Tb3Eu1
4
221
130.45
mp-1184553
-6.100279
-3.843697
4.111889
other
Hf3Pt1
4
221
79.8
mp-851
-9.05427
-5.810544
4.51928
other
Er1Pd1
2
221
41.17
mp-30635
-7.866961
-0.27771
3.394878
other
Fe3Pd1
4
221
51.94
mp-1008923
1.55021
2.482217
1.088968
other
Cu1N1
2
221
17.72
mp-977552
-5.882813
-1.393854
4.561365
other
Be3Tc1
4
221
38.3
mp-1183930
-5.749724
-6.094473
5.527064
other
Cs1Pa3
4
221
107.61
mp-1187067
-6.676351
-6.198717
2.01092
other
Sn3Te1
4
221
115.19
mp-1013735
-5.525757
-6.329153
1.030484
other
Ca3Bi2
5
221
204.34
mp-580287
-5.858379
-3.692529
3.97257
other
Zr3Cu1
4
221
80.15
mp-1197367
-7.341618
-7.615778
1.771184
other
Sr3Hg33
36
221
1,043.42
mp-1187281
-7.081248
-6.607586
6.900577
other
Tb3Er1
4
221
126.73
mp-863737
-8.066649
-6.599876
6.351006
other
Ho3In1
4
221
110.93
mp-1009264
-6.422426
-1.542928
3.715333
other
Nb1Co1
2
221
29.28
mp-1187180
-6.137383
-5.795568
5.649312
other
Pa3H1
4
221
78.7
mp-1183058
-6.023314
-7.724391
5.665785
other
Ac3Zr1
4
221
150.58
mp-1014214
6.549426
3.733634
-2.321754
other
C3N1
4
221
36.54
mp-1186007
-4.954237
-7.286207
3.389703
other
Na3Ti1
4
221
117.98
mp-864794
-8.200594
-6.593359
2.151935
other
Zn1Ag3
4
221
66
mp-1386
-6.589958
-6.582266
3.240823
other
Ho1Pb3
4
221
113.64
mp-1186164
-6.360077
-6.377307
5.843661
other
Na1Ce3
4
221
120.71
mp-1186243
-7.060151
-7.004338
7.372947
other
Pm1Nd3
4
221
140.57
mp-21381
-6.584296
-6.514154
3.292909
other
Th1Pb3
4
221
117.3
mp-862731
-7.380721
-7.101851
6.70283
other
Pm3Ge1
4
221
107.93
mp-1187579
-7.905434
-9.495913
6.801617
other
Tm1Mg3
4
221
97.85
mp-1955
-8.805762
-5.838075
5.081786
other
Er1Cu1
2
221
39.3
mp-1009483
0.520393
2.426273
1.709799
other
Ni1N1
2
221
16.34
mp-12753
-7.474132
-6.190505
6.518623
other
Gd1Al1
2
221
47.75
mp-6996
-3.551706
1.753639
2.998399
other
Sm1B6
7
221
69.54
mp-2593
-8.112219
-1.615272
2.499824
other
Al1Ni3
4
221
43.73
mp-1438
-8.273747
-2.269857
3.969802
other
Zr1Ir3
4
221
62.08
mp-20920
-7.9468
-6.086684
4.96433
other
Tb1In3
4
221
98.66
mp-592
-7.089724
-1.810866
4.300349
other
Ti1Ru1
2
221
28.92
mp-1009207
-6.416024
-2.902853
0.856521
other
Mn1Sb1
2
221
38.15
mp-1018081
-7.64928
0.266903
3.842971
other
Cr1Fe3
4
221
45.27
mp-331
-7.474073
-4.328782
5.547762
other
Sc1Al1
2
221
38.28
mp-1186489
-7.125168
-7.072608
6.775891
other
Pm3Al1
4
221
114.56
mp-1096854
-4.58651
-5.591651
0.852687
other
Ca3As2
5
221
161.61
mp-1120722
7.209492
10.744391
-0.937723
other
Cu3O3
6
221
61.22
mp-1002223
-4.027621
-3.812098
0.931747
other
Dy1P1
2
221
41.86
mp-1100784
-5.367645
-3.73456
3.53046
other
U3In1
4
221
89.09
mp-1187490
-6.265976
-7.216055
1.924202
other
Tl3Ag1
4
221
111.29
mp-11568
-7.609959
-7.438251
5.553024
other
Sm1Tl1
2
221
57.95
mp-972185
-6.351333
-7.284942
1.765419
other
Tl3Hg1
4
221
114.1
mp-1186534
-5.048663
-4.413443
0.385262
other
Pm1As3
4
221
85.52
mp-20821
-7.294693
-4.410929
5.060156
other
Np1Ga3
4
221
76.24
mp-980014
-6.242065
-6.169284
6.158711
other
Tm1Th3
4
221
127.85
mp-1186640
-7.031474
-7.014334
7.399726
other
Pm1Sm3
4
221
135.82
mp-987
-9.728521
-4.569159
3.65424
original
Zn1Cu1
2
221
24.91
mp-1001917
-5.503758
-4.12121
0.767466
other
Ho1As1
2
221
45.15
mp-1184733
-6.17299
-6.298046
6.199934
other
Gd1Th3
4
221
140.34
mp-999484
-5.64831
-4.660484
4.853452
other
Y1Ti1
2
221
48.95
mp-1185846
-8.608255
-5.825547
1.987874
other
Mg1Au3
4
221
69.25
mp-1183056
-6.24779
-7.68842
5.055919
other
Ac3Cl1
4
221
162.8
mp-1186913
-5.067657
-5.243871
4.359056
other
Rb1Np3
4
221
123.98
mp-922
-7.844972
-2.128619
2.817836
original
Co1Pt3
4
221
58.14
mp-865802
-8.585908
-2.62655
3.748401
other
Lu1Rh3
4
221
62.38
mp-23303
-0.331829
1.581288
-4.553527
other
Rb1Br1
2
221
70.24
mp-867238
-6.603792
-6.64892
3.261482
original
Sm1Pb3
4
221
116.56
mp-1186601
-7.060653
-7.071217
7.119412
other
Pm1Gd3
4
221
140.27
mp-377
-8.952252
-5.193797
5.905448
original
Lu1Rh1
2
221
36.76
mp-979963
-5.637556
-7.309149
4.502066
other
Yb3Ti1
4
221
129.73
mp-976010
-6.276416
-6.933436
3.445662
other
Li3Cr1
4
221
72.91
mp-2808
-7.392808
-3.318342
4.528583
other
Zr1Rh1
2
221
35.38
mp-11372
-7.178167
-5.605146
3.444928
other
Er1Sn3
4
221
102.05
mp-1006330
-6.517024
-5.708423
5.498288
other
Ce3Cu1
4
221
96.45
mp-979945
-5.917613
-7.242204
4.341303
other
Yb3V1
4
221
124.5
mp-20214
-7.376669
-4.106399
5.127203
other
U1Ga3
4
221
77.78
mp-978304
-7.855337
-9.859468
6.54431
other
Mg3Ta1
4
221
79.46
mp-435
-7.331898
-5.620125
3.525613
other
Th1Sn3
4
221
106.74
mp-1094969
-6.286993
-5.501976
3.698922
other
Mg1Ga3
4
221
70.36
mp-1066774
-4.305072
-6.747844
1.830825
other
Rb3Os1
4
221
184.78
mp-1187267
-7.703594
-6.502534
6.574496
other
Tb3Ag1
4
221
110.61
mp-20895
-4.826645
-3.851251
0.419854
other
Np1As1
2
221
42.95
mp-1184256
-6.896463
-0.079298
2.792684
other
Fe3Se1
4
221
46.25
mp-1009008
-5.659061
-4.165029
-0.934585
other
La1Te1
2
221
60.98
mp-21263
-5.89667
-4.394708
1.927524
other
Pu1Sb1
2
221
54.48
mp-1211148
-6.463319
-7.088536
2.582485
other
Li1Pb3
4
221
138.97
mp-11313
-7.878329
-7.166091
3.705296
other
Zr1Cd3
4
221
84.62
mp-1094889
-6.252643
-9.267251
4.470249
other
Li1Mg1
2
221
39.84
mp-862862
-5.819587
-5.477445
4.935069
other
Pa3Sb1
4
221
97.03
mp-1183309
-6.835281
-6.827829
6.842077
other
Ba1Sm3
4
221
152.77
mp-1684
-8.888935
-5.759587
2.392073
other
Zn1Au1
2
221
31.26
mp-11952
-7.180838
-7.588462
1.65664
other
K3Hg33
36
221
1,047.03
mp-978287
-8.547934
-11.09291
6.144293
other
Mg3Mo1
4
221
74.12
mp-1183062
-7.118109
-7.040053
7.160213
other
Ac1Dy3
4
221
139.04
mp-20387
-6.842081
-6.297618
2.751548
other
Eu1Sn3
4
221
108.15
mp-12763
-3.459599
1.761289
2.970136
other
Tb1B6
7
221
68.43
mp-721
-8.12234
-6.847748
5.391956
original
Tb1Cd1
2
221
52.38
mp-1187970
-5.788699
-7.303543
4.193977
other
Yb3Cr1
4
221
112.66
mp-11488
-7.34056
-7.139874
5.278695
other
La1Tl1
2
221
62.68
mp-183
-7.498036
-6.330392
4.772805
other
Ce1Cd1
2
221
57.09
mp-1184205
-6.97964
-6.605266
6.678965
other
Er3Np1
4
221
121.19