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-621624
-5.723267
-6.843046
1.528761
other
Tl21Sb6
27
229
837.35
mp-705519
7.836726
12.394481
-0.94934
other
Ni15O16
31
229
296.62
mp-1084832
-7.87659
0.21361
3.674171
other
Fe5Co3
8
229
85.1
mp-16852
-8.069232
-3.002062
3.850679
other
Ga14Ni6
20
229
292.46
mp-571211
-5.903548
-1.75419
4.041199
other
V3Si1
4
229
59.62
mp-22075
-8.059816
-4.933136
3.226305
other
In14Pt6
20
229
431
mp-568655
-8.323609
-5.474843
3.053665
other
In14Pd6
20
229
430.97
mp-1190933
-5.419794
-6.682882
3.975644
other
Li16Hf6
22
229
595.96
mp-639741
15.695202
5.621748
0.409563
other
Si24O48
72
229
1,651.92
mp-1094137
0.888529
1.954331
-4.366909
other
Ni15Cl16
31
229
484.64
mp-570334
-6.095826
-1.352191
3.963354
other
Si1W3
4
229
70.81
mp-505780
-7.678656
-2.477606
4.027183
other
Ge14Ir6
20
229
330.2
mp-28246
-5.921513
-3.02202
-2.046443
other
Ag1Te3
4
229
113.88
mp-2473
-5.745229
-2.451359
1.038454
other
Re6As14
20
229
340.76
mp-601193
8.827559
10.173698
-0.618258
other
Pt3O4
7
229
82.39
mp-600033
15.757908
5.599791
0.410745
other
Si12O24
36
229
714.33
mp-1025373
8.480548
2.247493
-0.484528
other
Tc1F6
7
229
123.92
mp-1191061
-0.277649
0.513566
-3.288988
other
Th6Br15
21
229
768.94
mp-1188512
-8.000544
-4.179657
3.50983
other
Ga14Pt6
20
229
340.56
mp-466
9.411106
2.739725
1.387246
other
Nb6F15
21
229
280.39
mp-570835
-7.253858
-7.400425
2.070287
other
Ni1Hg4
5
229
113.17
mp-27466
-5.876151
-3.129797
-1.972624
other
Li12Te36
48
229
1,435.55
mp-936
-7.211768
-7.336691
1.919197
original
Hg4Pt1
5
229
125.26
mp-646824
-7.769502
-6.977564
2.606609
other
Ca6Ag16
22
229
489.51
mp-22344
-7.716113
-4.043133
2.835463
other
Sn14Ru6
20
229
416.06
mp-600005
15.687143
5.616159
0.403183
other
Si16O32
48
229
965.3
mp-22040
-7.722111
-4.025995
2.840561
other
Sn14Ir6
20
229
420.2
mp-1210663
-8.324593
-8.603216
5.14957
other
Mg14Ir6
20
229
398.19
mp-29665
-5.947864
-5.120573
0.491104
other
Sb3Au1
4
229
104.16
mp-1025168
8.540816
2.163378
-0.812098
other
Ru1F6
7
229
123.48
mp-1025374
8.500477
2.275589
-0.47478
other
Re1F6
7
229
131.58
mp-1106289
-8.2725
-4.525045
3.539626
other
Ga14Pd6
20
229
339.41
mp-2729
-7.591367
-4.042005
2.722958
other
Sn14Os6
20
229
420.37
mp-1063581
3.398084
-0.211138
-2.118756
other
H3S1
4
229
24.01
mp-1147730
3.414873
-0.630813
-2.359747
other
H12Pt3
15
229
150.81
mp-555791
15.520687
5.649918
0.278553
other
Si48O96
144
229
4,328.93
mp-556068
15.381893
5.727984
0.199704
other
Si24O48
72
229
3,145.59
mp-8560
8.577796
2.564982
-1.274394
other
S1F6
7
229
94.91
mp-1080603
-7.820283
0.406252
3.804575
other
Fe7Co1
8
229
91.92
mp-1025250
8.428348
2.002047
-0.654311
other
Rh1F6
7
229
124.56
mp-1069288
-7.849234
-2.498512
5.124018
other
Mn1Ga4
5
229
85.19
mp-1521
-6.205255
-3.384498
0.860293
other
Sb14Mo6
20
229
445.25
mp-1212307
-8.041244
-4.821313
3.547571
other
In14Ni6
20
229
388.64
mp-977181
-5.877779
-1.201004
3.780013
other
Na1Mo3
4
225
65.84
mp-1184379
-5.539128
-7.377664
4.474786
other
Eu3Th1
4
225
151.94
mp-1183367
-5.266323
-7.461614
3.84288
other
Ba1Eu3
4
225
194.12
mp-2602
-5.488996
-4.14305
0.479319
other
Nd1As1
2
225
55.22
mp-510404
-3.298939
-4.029791
-3.04746
other
Gd1Se1
2
225
49.36
mp-1187695
-6.353593
-0.936196
3.747709
other
V3Cr1
4
225
50.85
mp-1183146
-8.053407
-6.04083
2.16399
other
B1Au3
4
225
65.25
mp-866134
-7.213744
0.302412
3.923684
other
V1Fe3
4
225
48.4
mp-639154
-7.75491
0.379279
3.578379
other
Co23B6
29
225
279
mp-2775197
-3.861656
-7.162172
2.270438
other
Rb3Hf1
4
225
231.45
mp-23231
-0.537593
1.162426
-4.556129
other
Ag1Br1
2
225
48.38
mp-10378
-4.619295
-6.214115
0.749154
other
Cs3Sb1
4
225
197.58
mp-1183255
-5.776804
-3.122596
3.80167
other
Ac1Nb3
4
225
88.05
mp-1187206
-5.591266
-2.092525
3.614609
other
Ta3W1
4
225
69.75
mp-1187964
-5.867886
-7.118325
4.401294
other
Yb3Mo1
4
225
108.08
mp-999378
-7.770894
-1.720313
2.837457
other
Nb1Ni3
4
225
50.28
mp-974820
-4.369345
-6.750449
1.901096
other
Rb3Tc1
4
225
211.57
mp-1194710
-7.368975
-0.984442
4.983485
other
Gd6Mn23
29
225
450.22
mp-1186865
-3.920125
-6.899126
1.819128
other
Rb3Rh1
4
225
155.94
mp-20962
-8.631703
-0.387071
2.36024
other
Ni23B6
29
225
282.34
mp-1018067
-7.568298
0.270215
3.957609
other
Cr1Fe3
4
225
47.65
mp-568512
-6.345077
-11.116002
5.909938
other
Ba6Mg23
29
225
876.9
mp-974850
-3.890769
-7.044277
2.002204
other
Rb3Nd1
4
225
275.92
mp-1187539
-6.144197
-7.024647
1.979632
other
Tl3Ga1
4
225
116.59
mp-1209181
1.717054
2.374579
0.246528
other
Rb1N1
2
225
57.1
mp-972965
8.511414
1.538363
1.630835
other
Gd1F3
4
225
43.86
mp-1104905
-3.561284
1.854339
2.864273
other
Tm1B12
13
225
103.76
mp-1187155
-5.018329
-7.339646
3.726167
other
Sr1Ca3
4
225
184.43
mp-973053
2.790885
-0.374888
-1.721188
other
Sc1H3
4
225
26.96
mp-1184651
-7.352987
-7.625719
1.771427
other
Hg3Sb1
4
225
106.31
mp-976264
-5.614234
-6.94651
3.93303
other
Li3Nd1
4
225
98.62
mp-1206711
8.706722
2.659273
1.895411
other
Sm1F2
3
225
47.17
mp-1209332
7.092853
8.719394
-1.366192
other
Rb1O1
2
225
48.55
mp-1240
-2.989329
-3.825653
-3.234712
other
Ho1S1
2
225
40.95
mp-1185033
-6.150094
-8.045892
5.322018
other
K1Ac3
4
225
193.74
mp-568516
-5.099523
-6.443677
0.927785
other
K3Bi1
4
225
160.37
mp-2350
-2.636182
-3.466019
-3.835953
other
La1S1
2
225
50.91
mp-1066388
-4.071255
-7.153107
2.048661
other
K3Re1
4
225
172.31
mp-1009221
1.827744
2.736806
0.41833
other
Na1N1
2
225
31.25
mp-1060982
-4.344788
-6.587664
2.759485
other
Cs1B1
2
225
82.84
mp-13136
-4.656801
0.032564
3.035393
other
W1C1
2
225
21.08
mp-1076925
-4.42502
-7.159477
3.769186
other
Ba3Np1
4
225
223.41
mp-8860
-4.673811
-5.882122
0.602405
other
Na3As1
4
225
88.54
mp-980190
-5.640717
-7.325553
4.123071
other
Li1Yb3
4
225
148
mp-1185104
-6.141099
-6.777003
2.664902
other
K1In3
4
225
119.72
mp-1009733
-4.010206
-5.676582
5.217881
other
Ca2Si1
3
225
92.17
mp-1138
9.890291
0.892717
1.056016
other
Li1F1
2
225
17.02
mp-1185054
-4.200462
-7.09818
2.024107
other
K3In1
4
225
196.32
mp-1183987
-7.465494
-7.461977
1.780442
other
Ga1Hg3
4
225
100.51
mp-1185079
-3.956415
-7.230818
2.456409
other
K3Tm1
4
225
225.58
mp-1006150
-5.652286
-7.331313
4.339236
other
Eu3Re1
4
225
105.32
mp-1185185
-6.297744
-6.945156
3.450024
other
Li3Cr1
4
225
73.3
mp-867342
-6.348408
-6.749178
3.495584
other
Li3Ge1
4
225
58.51
mp-1646
-6.863019
-7.358203
3.011839
other
Li3Hg1
4
225
68.2
mp-10728
8.773386
10.625521
-0.839779
other
Pd1O1
2
225
23.5
mp-1410
2.216268
1.600652
1.946741
other
Dy1N1
2
225
29.22
mp-948
-6.05906
-3.312452
-2.277219
other
Zn1Te1
2
225
48.04