mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
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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-1009731
-4.148831
-0.184109
3.007237
other
Re1C1
2
221
19.7
mp-11221
-7.413559
-6.002863
6.64349
other
Sm1Al1
2
221
49.48
mp-1226196
-7.556756
-0.839642
3.164317
other
Cr1Ni1
2
221
24.23
mp-983590
-5.479012
-1.260342
4.819348
other
Be3Fe1
4
221
33.98
mp-1017544
-7.531309
-1.626416
4.490963
other
Zr1Ru3
4
221
62.84
mp-1187502
-5.808059
-6.779259
1.514734
other
Tl3Bi1
4
221
123.94
mp-1186381
-5.888122
-5.348932
5.150294
other
Pa3Al1
4
221
92.13
mp-21162
-6.312111
-7.088272
2.738338
other
Sr1Pb3
4
221
125.36
mp-973055
-7.537011
-7.435238
1.737266
other
Hg3Au1
4
221
91.97
mp-1063661
-8.66202
-1.499731
2.669606
other
Mg1Ni3
4
221
48.34
mp-2497
-8.131582
-6.90865
5.570352
other
Gd1Zn1
2
221
46.03
mp-1183498
-5.200161
-7.345241
4.231728
other
Ca3Ho1
4
221
152.8
mp-978855
-5.966366
-6.274954
2.244173
other
Sn3B1
4
221
92.89
mp-975051
-4.099958
-7.023936
1.541746
other
Rb3Ag1
4
221
231.04
mp-11487
-8.0562
-3.431597
2.474318
other
La1Pt3
4
221
74.85
mp-981384
-7.458467
-1.785763
4.466762
other
Sc1Os3
4
221
61.97
mp-20848
-8.035765
-6.578307
5.778303
other
Tm1In1
2
221
50.52
mp-1187918
-7.302574
-5.600557
2.781464
other
Zn3P1
4
221
62.83
mp-2444
-8.313975
-2.440699
3.63338
other
Ga1Rh1
2
221
27.17
mp-20984
-6.834589
-5.999805
5.416615
other
Ce3In1
4
221
117.68
mp-1183709
-5.758452
-5.679273
5.284782
other
Ce1Pa3
4
221
100.49
mp-1206752
-7.246717
-6.849716
4.978647
other
Ce1Tl1
2
221
59.92
mp-1188012
-5.134628
-3.607583
3.275833
other
Zr3I1
4
221
90.14
mp-975019
-4.214309
-6.963307
1.646398
other
Rb3Cd1
4
221
251.54
mp-899
-8.307947
-2.770104
3.568674
other
In1Rh1
2
221
33.07
mp-984717
-8.327242
-1.105206
2.831823
other
Be1Ni3
4
221
39.96
mp-1186032
-4.941962
-7.478988
3.202442
other
Na3Ca1
4
221
153.53
mp-12065
-7.930111
-5.975641
2.029968
other
Ag3Pt1
4
221
66.73
mp-1187998
-5.787691
-7.202428
4.830412
other
Yb3Pa1
4
221
139.21
mp-11422
-8.109367
-7.82609
4.407611
other
Gd1Hg1
2
221
52.07
mp-505622
-6.338155
-0.167054
3.548755
other
Mn4N1
5
221
63.28
mp-1187138
-4.969413
-7.350379
3.57745
other
Sr3Zn1
4
221
164.56
mp-1065540
6.322862
4.145357
-2.242074
other
Al1C3
4
221
33.01
mp-1089
-7.998788
-1.982154
3.81113
other
Ti1Ir3
4
221
57.41
mp-1187306
-7.108341
-6.688818
7.042138
other
Tb3Tm1
4
221
126.27
mp-1018042
-5.841651
-4.333179
1.257983
other
U1Bi1
2
221
56.18
mp-1013736
-4.928439
-6.45983
1.39377
other
Ba3Bi2
5
221
289.1
mp-1184156
-7.851775
-6.365599
5.777564
other
Er3In1
4
221
109.2
mp-1009878
-2.767023
-0.135099
2.875774
other
Zr1C1
2
221
25.28
mp-1187105
-4.998296
-7.52158
3.581806
other
Sr3Ca1
4
221
214.79
mp-18695
-7.709168
0.440029
3.90105
other
Fe15Co1
16
221
187.74
mp-980082
-7.157274
-6.83113
7.173759
other
Y1Ho3
4
221
126.67
mp-1058331
-4.776051
-3.193259
-3.580634
other
Cs1Se1
2
221
82.78
mp-971753
-5.582765
-5.084124
3.132919
other
Zn1Ge3
4
221
75.28
mp-980203
-7.198159
-1.455594
4.305902
other
Ti1Os3
4
221
58.76
mp-1008752
-5.323118
-3.753919
-0.846394
other
Ce1Te1
2
221
57.55
mp-1017543
-8.45295
-4.497197
2.398773
other
Zr1Pd3
4
221
64.01
mp-1184460
-7.457191
-6.861589
6.797493
other
Gd3Zn1
4
221
112.05
mp-1188024
-5.62478
-3.754477
3.929258
other
Zr3Ta1
4
221
87.9
mp-1094726
-4.260392
-3.780009
4.602246
other
Mg1Ti1
2
221
37.8
mp-10908
-5.359169
-1.16933
3.968587
other
Al1Re1
2
221
28.73
mp-1185041
-6.950914
-7.557742
1.726625
other
K1Hg3
4
221
120.61
mp-12585
-7.856756
-1.710062
3.399119
other
Cr1Rh3
4
221
54.46
mp-22851
1.279512
1.959516
-5.458467
other
Na1Cl1
2
221
42.96
mp-11457
-7.700826
-3.492651
4.448492
other
Hf1Rh1
2
221
34.3
mp-21481
-7.250721
-6.657011
6.395236
other
Pr3Pb1
4
221
126.34
mp-973450
-7.133737
-7.643456
2.080378
other
Hg3C1
4
221
78.52
mp-1184544
-5.022846
-5.011664
4.468552
other
Gd1Np3
4
221
97.94
mp-2311
13.043251
10.222569
2.350571
other
Nb3O3
6
221
76.76
mp-1339
-7.958967
-2.017203
3.84775
other
Nb1Ir3
4
221
59.93
mp-23299
1.190741
2.506345
-5.565099
other
Rb1Cl1
2
221
60.98
mp-1031
-8.005328
-6.898571
5.736499
other
Gd1Cd1
2
221
53.14
mp-1183745
-6.258469
-6.193139
6.096467
other
Ce3Ho1
4
221
115.53
mp-1183784
-6.297147
-5.740557
5.551244
other
Ce3Cl1
4
221
90.38
mp-1184128
-6.474869
-6.851429
2.40358
other
Cu1Pb3
4
221
107.87
mp-1188027
-5.759343
-3.85623
3.952457
other
Zr3Mn1
4
221
83.64
mp-1094849
-6.557664
-8.950161
4.760723
other
Mg1Ga1
2
221
36.91
mp-1009839
-7.397241
-5.716497
6.553508
other
Tb1Al1
2
221
46.72
mp-1183736
-7.045669
-6.924215
7.362326
other
Ce1Pr3
4
221
141.74
mp-20225
-6.517555
-6.296178
3.232841
other
Ce1Pb3
4
221
117.35
mp-867189
-7.261536
-7.260766
6.654483
other
Pm3Pb1
4
221
120.85
mp-2642
-7.982743
-6.728118
2.121797
other
Cd1Ag1
2
221
37.69
mp-861987
-7.836295
-5.938081
4.810565
other
Pa1In3
4
221
99.99
mp-284
-7.497772
-1.272853
3.957472
original
Al1Co1
2
221
22.41
mp-11576
-6.632587
-7.162159
3.780895
other
Yb1Tl1
2
221
57.51
mp-1100773
-7.489273
-6.671464
6.544451
other
Y3Cd1
4
221
116.15
mp-10890
-5.826011
-4.875905
5.376394
other
Li1Al3
4
221
63.8
mp-1187119
-5.199256
-7.450217
3.423649
other
Sr3Hg1
4
221
167.56
mp-1008555
-9.266642
-4.367857
3.92029
other
Al1Cu3
4
221
48.12
mp-1121
-7.499125
-1.197328
3.449257
other
Ga1Co1
2
221
23.08
mp-866199
-7.727264
-7.631165
4.304749
other
Ac1Ag1
2
221
61.53
mp-11469
-8.127927
-7.65306
4.547809
other
Pr1Hg1
2
221
56.88
mp-1039147
-6.340402
-7.219134
3.835096
other
Ca1Zn1
2
221
48.57
mp-20874
-3.499332
1.830937
2.989824
other
Eu1B6
7
221
71.88
mp-972502
-7.122423
-6.932061
7.396202
original
Sm3Dy1
4
221
135.9
mp-1183687
-8.329806
-3.970299
2.181416
other
Co1Pd3
4
221
57.08
mp-1094839
-7.44568
-7.036523
2.424941
other
Mg1Cd3
4
221
84.89
mp-862816
-6.830507
-4.117977
5.140063
other
Pa1Ge3
4
221
76.93
mp-1184871
-3.806191
-7.224523
2.417212
other
K3Lu1
4
221
225.61
mp-1184578
-7.40697
-6.499271
5.95867
other
Ho3Bi1
4
221
114.12
mp-1009819
9.388839
8.348014
1.968439
other
Sr1O1
2
221
31.01
mp-1185011
-6.44924
-6.462744
6.382895
other
La3Zr1
4
221
130.53
mp-1056900
1.999908
2.897081
-3.916455
other
I1N1
2
221
32.56
mp-20486
-5.805006
-4.50702
3.761368
other
Pu3Ga1
4
221
70.52
mp-1184385
-6.021172
-7.137652
3.484676
other
Eu3Te1
4
221
137.06
mp-1933
1.49869
2.115074
1.034954
other
Cu3N1
4
221
55.51
mp-558852
10.11904
0.606022
0.184176
other
Fe3F9
12
221
172.47
mp-1006245
-5.155832
-5.03764
4.360442
other
Er1Np3
4
221
103.28
mp-1187526
-5.870717
-6.992117
2.216865
other
Tl3B1
4
221
100.03
mp-1206907
1.633295
2.540565
0.345111
other
Tl1N1
2
221
31.55