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-1201245
-7.689775
-7.076945
2.992317
other
Pr3Cd33
36
221
817.93
mp-975468
-6.101258
-8.016364
5.286201
other
Rb1Ac3
4
221
196.31
mp-974066
-7.087031
-6.897027
7.327728
other
Nd3Sm1
4
221
139.9
mp-974754
-5.857354
-5.809624
5.654315
other
Nd1Pa3
4
221
106.93
mp-1186734
-7.010462
-6.93986
7.414781
other
Pr3Y1
4
221
142.11
mp-817
-7.271618
-7.457239
4.611927
other
Tm1Tl3
4
221
103.5
mp-1183805
-6.864369
-6.546418
6.894807
other
Dy3Zr1
4
221
115.45
mp-1186016
-6.184184
-0.827059
3.387938
other
Mo3Pt1
4
221
62.76
mp-1016227
-7.752724
-9.368228
6.477408
other
La1Mg3
4
221
112.42
mp-1188029
-5.682554
-3.827929
3.921807
other
Zr3Cd1
4
221
88.43
mp-2805
-6.959333
-4.323316
6.452163
other
Lu1Al3
4
221
72.44
mp-1006886
-3.06192
-3.832438
-3.208957
other
Ce1S1
2
221
43.34
mp-1187053
-6.980849
-6.927655
7.233488
other
Sm3Eu1
4
221
134.88
mp-1185006
-4.737124
-7.632596
3.310585
other
K1Sr3
4
221
232.87
mp-1183788
-7.223958
-6.835794
7.196002
other
Dy1Ho3
4
221
124.96
mp-601833
-7.34859
-0.152843
3.272226
other
Fe13Ge3
16
221
191.62
mp-1184469
-7.132643
-6.924751
7.07682
other
Gd3Y1
4
221
138.99
mp-633
-7.180685
-5.751238
3.670622
other
La1Sn3
4
221
110.86
mp-1094731
-6.23886
-10.830237
5.86749
other
Sr1Mg3
4
221
120.74
mp-2688
-7.678811
-4.618566
5.639832
other
Ho1Ga3
4
221
75.55
mp-1058798
-5.267215
-3.591377
4.697278
other
Li1Be1
2
221
22.22
mp-1025156
-3.604191
1.797076
3.015029
other
Np1B6
7
221
69
mp-556242
8.558298
1.318079
1.737
other
Y3F9
12
221
156.19
mp-1187232
-4.776155
-7.122008
3.97156
other
Sr3U1
4
221
177.42
mp-1327
-7.909099
-8.295044
6.895605
other
Nd1Mg1
2
221
58.93
mp-975045
-3.988742
-7.162128
1.785512
other
Rb3Cr1
4
221
236.35
mp-973556
-6.275285
-6.150233
6.133567
other
Lu1Th3
4
221
127.17
mp-639675
-6.890031
-6.82459
3.821691
other
Eu1Cu1
2
221
47.71
mp-932
-7.650658
-4.385302
5.44854
other
Sc1Ga3
4
221
68.01
mp-1094084
0.475381
2.61078
1.551289
other
Ni4N3
7
221
62.15
mp-636328
-8.341315
-4.236803
2.190845
other
Ti1Pd3
4
221
59.21
mp-357
-8.61986
-4.352532
2.564849
original
Sm1Pd3
4
221
70.99
mp-1185312
-9.344156
-4.800709
3.8131
other
Li1Cu3
4
221
46.36
mp-1187199
-5.343045
-3.007579
3.285698
other
Ta3Bi1
4
221
78.31
mp-978507
-6.17895
-6.198281
6.219373
other
Sm1Th3
4
221
130.03
mp-1183626
-7.688997
-6.241385
2.570676
other
Cd3Ir1
4
221
74.98
mp-6907
-4.000473
-5.64842
5.259115
other
Sr1Si1
2
221
55.02
mp-1186727
-7.096668
-6.93974
7.443364
other
Pr3Sm1
4
221
143.25
mp-21197
-8.077675
-6.046816
4.96713
other
Nd1In3
4
221
103.73
mp-2818
-8.457364
-6.141086
3.037622
other
Yb1Au1
2
221
45.88
mp-1061395
6.437978
8.715622
-2.13395
other
Na1O1
2
221
24.05
mp-20309
-6.44315
-7.082757
2.780106
other
Eu1Pb3
4
221
120.37
mp-30475
-7.372537
-7.60605
1.728099
other
Ca3Hg33
36
221
999.98
mp-21412
-6.761812
-6.128765
5.399531
other
Ce3Tl1
4
221
117.79
mp-526
-6.30966
-7.46397
2.871135
other
Ca1Tl3
4
221
112.34
mp-693
-7.504995
-6.956612
6.582561
other
Pr3Tl1
4
221
127.39
mp-1002207
0.52084
1.921119
2.306252
other
Re1N1
2
221
19.99
mp-23167
1.424148
2.398812
-5.562954
other
Tl1Cl1
2
221
56.51
mp-569382
-7.591224
-6.590561
6.648115
other
Nd3Ga1
4
221
113.6
mp-554201
9.288035
2.133855
1.262668
other
Mo1F3
4
221
69.12
mp-1184212
-5.584934
-5.528528
3.668968
other
Ga3P1
4
221
75.97
mp-999393
-6.489421
-1.029812
4.196815
other
Nb1Cr3
4
221
55.17
mp-978964
-6.272449
-6.149927
5.950728
other
Th3Mg1
4
221
122.33
mp-776
-7.752425
-6.78821
5.098746
original
La1Cd1
2
221
60.8
mp-1152
-7.912214
-2.230757
3.58224
other
Ti1Rh3
4
221
56
mp-1019052
0.315268
2.142244
2.119545
other
Re3N3
6
221
66.66
mp-1100776
-6.281229
-5.622066
0.592553
other
Zn1Bi3
4
221
115.73
mp-257
-8.059854
-6.608143
5.77982
original
Dy1In1
2
221
52.43
mp-1183452
-5.586943
-7.309387
3.785696
other
Ca3Ag1
4
221
131.28
mp-999294
0.844751
2.405179
1.467182
other
Pd3N1
4
221
68.26
mp-1184059
-8.018607
-6.745354
6.745376
other
Dy3Hg1
4
221
110.95
mp-11274
-7.313851
-2.668301
3.417343
other
Be1Pd1
2
221
22.23
mp-867
-8.207998
-6.800116
5.197967
other
Er1Cd1
2
221
50.08
mp-22865
1.201225
2.506877
-5.90305
other
Cs1Cl1
2
221
71.15
mp-984518
-7.5313
-4.847895
4.206198
other
Ga3Cu1
4
221
65.71
mp-863027
-6.919644
-6.715147
2.844802
other
Li1In3
4
221
90.69
mp-1184855
-4.083679
-7.303355
2.413359
other
K3Ca1
4
221
252.93
mp-976138
-7.158886
-6.910922
7.386176
other
Pr1Dy3
4
221
130.89
mp-11248
-8.425896
-5.973879
2.109454
other
Li1Au3
4
221
65.37
mp-20549
-6.293842
-7.083166
2.74311
other
Ca1Pb3
4
221
118.92
mp-971803
-7.538407
-7.39893
1.710085
other
Zn1Hg3
4
221
95.02
mp-2747
-8.586355
-4.254926
2.411945
other
Tb1Pd3
4
221
68.9
mp-1183623
-9.304122
-4.839273
3.639645
other
Cd1Cu3
4
221
55.99
mp-1174
-7.781432
-8.277954
6.221226
other
Mg1Sc1
2
221
46.52
mp-2266
-7.814248
-6.674156
3.455578
other
Yb1Ag1
2
221
48.38
mp-982880
-6.72613
-7.183346
7.135297
other
Pm3Y1
4
221
136.76
mp-22915
-0.992157
2.701949
-3.225026
other
Ag1I1
2
221
57.29
mp-1009019
0.415559
2.81819
1.763087
other
Fe1N1
2
221
16.87
mp-1184984
-4.812943
-7.405322
3.556485
other
K1Ca3
4
221
190.45
mp-10903
-8.012002
-3.464647
3.064085
other
Al1Pt1
2
221
29.55
mp-974938
-4.030191
-6.995392
1.701189
other
Rb3Li1
4
221
280.48
mp-30083
-5.869407
-6.164061
0.862592
other
Tl1Bi1
2
221
63.6
mp-2680
-3.572323
1.852805
2.980359
other
La1B6
7
221
71.61
mp-1185108
-4.017201
-7.137893
2.732398
other
K3Zr1
4
221
210.14
mp-1238821
-4.337114
-4.793582
5.509973
other
Si3B1
4
221
48.54
mp-1187266
-7.946305
-6.537906
6.62389
other
Tb3Au1
4
221
106.67
mp-570276
-6.239272
-3.893703
3.673745
other
Zr1Zn1
2
221
36.7
mp-13100
-7.650686
-2.205843
2.577528
other
Mo1Pt3
4
221
63.02
mp-1184943
-6.15484
-5.791536
0.820898
other
K1Bi3
4
221
130.51
mp-1014460
0.401254
2.540203
2.01654
other
Cr3N4
7
221
62.26
mp-1001844
2.270316
1.550646
2.037878
other
Ho1N1
2
221
26.47
mp-1006246
-6.937356
-6.881098
7.299526
other
Ce1Sm3
4
221
130.74
mp-1186084
-5.095782
-7.511131
3.32397
other
Na3Yb1
4
221
155.07
mp-1187390
-6.184617
-6.135644
6.125896
other
Tb1Th3
4
221
128.93
mp-978282
-7.432914
-9.736799
4.272806
other
Mg3Hg1
4
221
82.59
mp-973004
-7.503538
-1.531957
4.344567
other
Sc1Ru3
4
221
61.09
mp-20131
-7.960847
-6.138229
4.95605
other
Y1In3
4
221
98.97
mp-1186877
-3.864832
-7.082028
2.07194
other
Rb3Tm1
4
221
263.99
mp-1187314
-6.99535
-6.706838
7.037543
other
Tb3Y1
4
221
129.5
mp-1008650
-3.376555
-3.980967
-2.984106
other
Ce1Se1
2
221
48.53