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-861936
-8.454679
-4.444545
2.053709
other
Li1Pd3
4
221
57.07
mp-1183391
-6.210448
-6.964221
2.810712
other
Ba1Pb3
4
221
134.52
mp-978514
-7.246139
-6.878138
7.286422
other
Sm1Tm3
4
221
123.9
mp-1013559
-4.668991
-5.865982
0.964373
other
Sr3As2
5
221
196.12
mp-1183755
-6.840105
-6.807543
7.121372
other
Ce1Nd3
4
221
135.8
mp-580236
-6.807379
-6.879785
3.826704
other
Eu1Cd1
2
221
60.09
mp-2796
-8.672768
-6.733752
4.757745
original
Tm1Ag1
2
221
45.16
mp-1428312
1.377041
2.174175
-0.692843
other
Ag1N1
2
221
23.75
mp-1185005
-6.64958
-6.78985
6.511556
other
K1La3
4
221
162.45
mp-1007974
-8.164386
-0.967285
2.740864
other
Cr1Ni3
4
221
44.53
mp-1184825
-7.874985
-5.504081
3.066397
other
In3Pt1
4
221
87.67
mp-864655
-7.973041
-0.764677
4.264949
other
Pa1Co3
4
221
54.15
mp-1187315
-7.472614
-6.539647
6.635055
other
Tb3Zn1
4
221
107.45
mp-20943
-5.918011
-3.59322
-2.243669
other
Te1Pb1
2
221
64.11
mp-20236
-7.97802
-6.144104
4.990209
other
Dy1In3
4
221
98.06
mp-229
-8.190268
-2.430232
3.79369
other
Zr1Rh3
4
221
60.89
mp-1212000
4.171896
2.453523
-3.170668
other
In1C6
7
221
192.6
mp-973834
-8.530115
-5.442864
2.066303
other
Pd1Au3
4
221
67.47
mp-1009127
15.642093
9.634604
4.910412
other
Mg1O1
2
221
18.85
mp-1187582
-7.46887
-1.277923
5.208346
other
Yb1Mn3
4
221
66.83
mp-1187567
-8.606496
-2.658076
3.759603
other
Tm1Rh3
4
221
63.16
mp-1002228
-6.262938
-3.985659
2.635136
other
Pt1C1
2
221
22.33
mp-1184461
-7.858837
-6.768422
6.826057
other
Gd3Au1
4
221
110.76
mp-23201
-6.068457
-5.885595
0.959915
other
Ba1Bi3
4
221
136.78
mp-23197
-1.080593
3.047769
-2.968337
other
Tl1I1
2
221
76.13
mp-999292
-8.010118
-4.42405
1.780707
other
Pd3N1
4
221
56.3
mp-915
-8.093458
-7.025451
5.371171
other
Y1Cd1
2
221
52.18
mp-20555
-6.325286
-7.061846
2.466954
other
Na1Pb3
4
221
117.46
mp-30858
-7.989953
-2.922848
2.5487
other
Zr1Pt3
4
221
65.21
mp-1857
-7.451579
-6.801816
3.97538
other
Yb1Cd1
2
221
55.36
mp-1184852
-7.54659
-5.967335
2.875294
other
In3Ni1
4
221
86.5
mp-1184552
-5.70918
-3.810153
4.153115
other
Hf3Ta1
4
221
85.58
mp-11473
-6.964803
-7.500932
1.822091
other
Tl1Hg1
2
221
56.83
mp-1183655
-8.254461
-4.519818
2.059808
other
Cd1Pd3
4
221
63.85
mp-976725
-6.079942
-3.804202
4.193761
other
Hf3Au1
4
221
82.35
mp-1187139
-4.948821
-7.145321
4.050738
other
Sr3Zr1
4
221
169.96
mp-2012
-7.358457
-7.720256
2.206246
other
Li1Hg1
2
221
35.98
mp-999437
-5.749812
-2.49419
3.597852
other
Nb3Ni1
4
221
66.22
mp-983584
-5.618716
-5.095027
5.38707
other
Al3Tl1
4
221
82.55
mp-1183059
-6.351577
-8.012272
5.64187
other
Ac3Yb1
4
221
172.68
mp-1094779
-8.167782
-9.285915
4.396979
other
Mg1Zn1
2
221
34.74
mp-21202
-7.655095
-6.665434
6.449916
other
Sm3In1
4
221
119.67
mp-11516
-6.669678
-1.878531
4.126852
other
Nb1Ru1
2
221
32.35
mp-2564
-4.951042
-7.473566
3.849957
other
Sr1Mg1
2
221
73.58
mp-11501
-8.343632
-1.014537
2.753401
other
Mn1Ni3
4
221
44.49
mp-1094705
-7.337776
-6.147382
4.489455
other
Y1Sn1
2
221
54.89
mp-985588
2.588716
1.920245
-1.920825
other
Fe1Cl1
2
221
29.86
mp-1006884
-6.482466
-0.315352
3.524167
other
Co1Mo1
2
221
26.99
mp-978494
-6.215549
-6.239763
2.042519
other
Si1Sn3
4
221
100.52
mp-978949
-7.10652
-6.934765
7.404829
other
Sm3Ho1
4
221
132.59
mp-2713
-9.115602
-5.320087
6.015869
other
Er1Ir1
2
221
38.34
mp-580357
-9.203941
-4.371436
3.320174
other
Cu3Pd1
4
221
49.51
mp-1549
-8.062431
-3.209795
2.444868
other
Tb1Pt3
4
221
69.17
mp-1186705
-7.06592
-6.931782
7.438286
other
Pr3Dy1
4
221
140.35
mp-867883
-6.791698
-6.279554
5.760437
other
La3Pb1
4
221
130.58
mp-718
-8.260679
-4.337196
1.950053
other
Sn1Pd3
4
221
64.34
mp-570637
-5.073192
-3.584582
3.663824
other
U3Si1
4
221
76.23
mp-1100774
-4.9435
-3.191615
3.139037
other
U3N1
4
221
65.53
mp-19820
-6.634068
-6.626335
3.285425
other
Tm1Pb3
4
221
112.84
mp-976903
-7.109741
-6.860596
7.09853
other
Na1Nd3
4
221
139.01
mp-2743
-8.064976
-5.416245
2.585275
other
Li1Pd1
2
221
25.93
mp-1184639
-6.937745
-6.814702
7.090115
other
Gd1Y3
4
221
132.72
mp-11474
-7.182911
-7.603566
1.602519
other
Tl1Hg3
4
221
110.97
mp-2316
-8.631768
-6.796041
5.367987
other
Tm1Zn1
2
221
42.65
mp-2258
-9.289968
-4.68363
3.313207
other
Cu3Au1
4
221
52.12
mp-11561
-8.93285
-5.293405
6.014915
other
Tb1Rh1
2
221
40.01
mp-1009133
-7.638345
-0.320832
3.87836
original
Mn1Co1
2
221
23.24
mp-21039
-3.183821
-2.204681
-5.571163
other
Pb1S1
2
221
48.77
mp-1184844
-4.028968
-7.17055
1.949488
other
K3Na1
4
221
258.39
mp-22461
-7.266942
-0.79486
2.897828
other
Fe3Sn1
4
221
55.68
mp-1184401
-7.720679
-6.672626
6.671316
other
Gd3Ga1
4
221
107.78
mp-1009005
0.819781
2.353416
1.501484
other
Ir1N1
2
221
20.95
mp-865
-3.383043
1.739701
2.93627
other
Ca1B6
7
221
70.88
mp-2334
-8.76927
-6.109017
5.20508
other
Dy1Cu1
2
221
40.57
mp-1096844
-2.979072
1.496404
2.843506
other
Bi1B6
7
221
74.83
mp-1185438
-8.156324
-6.594761
6.632495
other
Lu3Hg1
4
221
104.8
mp-10632
-3.747066
-1.738306
-5.455343
other
Tl1S1
2
221
46.49
mp-30878
-7.569448
-7.320538
5.470523
other
Tb1Tl1
2
221
53.94
mp-1186813
-6.235305
-4.706799
3.01141
other
Pu3Br1
4
221
109.26
mp-217
-7.582875
-7.316144
5.545154
other
Er1Tl1
2
221
53.8
mp-1065428
-4.141288
-7.132097
2.038538
other
Rb3Re1
4
221
222.64
mp-1186696
-7.080489
-6.649291
6.92815
other
Pr3Br1
4
221
125.99
mp-30479
-5.628331
-7.186219
3.679396
other
Ca3Pb1
4
221
128.78
mp-375
11.412963
9.17871
0.958467
other
U1O3
4
221
70.72
mp-828
-7.701388
-1.464098
2.610946
original
Si1Ni3
4
221
41.56
mp-1183978
-5.924513
-5.809011
3.241508
other
Ga3Sn1
4
221
83.75
mp-30362
-5.72292
-3.764317
3.796756
other
Zr3Ag1
4
221
86.15
mp-881
-7.170619
-5.424396
3.219578
other
Np1Sn3
4
221
103.71
mp-1014316
6.746005
3.698772
-1.849055
other
C3N1
4
221
30.16
mp-19919
-7.108434
-5.65592
3.445832
other
Gd1Sn3
4
221
104.51
mp-1184008
-5.786999
-4.05179
0.583287
other
Cu3As1
4
221
50.77
mp-570428
-7.927623
-5.489017
4.991502
other
Sc3In1
4
221
92.98
mp-571
-7.317874
-2.211518
3.288956
other
Ti1Ni1
2
221
26.68
mp-213
-7.663385
-5.959249
3.708328
other
Ca1Pd1
2
221
43.08
mp-1183693
-7.579778
-7.395963
1.895923
other
Cr1Hg3
4
221
87.48
mp-1219459
-5.47412
-3.670394
-1.816238
other
Sb1Te1
2
221
56.03
mp-981546
-7.173177
-6.882158
7.306024
other
Pr1Ho3
4
221
129.47
mp-972044
-6.092513
-6.240615
6.032738
other
Yb1Th3
4
221
129.31
mp-1186850
-3.757376
-7.113482
2.096914
other
Rb3Lu1
4
221
265.3
mp-16732
-5.486133
-4.166159
0.797956
other
Y1As1
2
221
46.14