mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
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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-990424
5.606616
1.987381
-2.736426
other
C4
4
164
126.09
mp-1271142
-8.272692
-0.159478
3.734533
other
Co4
4
164
43.54
mp-1120774
-9.473317
-4.552073
3.673858
other
Cu6
6
164
133.41
mp-1014111
-9.239233
-1.264634
2.592078
other
Ni2
2
164
68.36
mp-1238818
-5.387693
-3.116878
3.72871
other
Ti6
6
164
208.55
mp-1202745
-3.988464
-4.912164
5.663368
other
Si58
58
164
1,367.63
mp-1077457
-5.592673
-7.331939
3.959701
other
Eu6
6
167
265.16
mp-568584
3.825148
3.247852
-3.615228
other
N16
16
167
370.8
mp-1268191
-3.729783
-4.925697
5.956306
other
Si6
6
175
97.68
mp-582819
-5.731776
-4.660162
3.492387
other
Pu8
8
176
174.91
mp-601273
-7.283846
-5.594135
5.320845
other
Sc6
6
178
149.16
mp-1018134
-6.067981
-6.878305
3.347764
other
Li3
3
166
61.21
mp-2629196
-7.141949
-7.692986
1.630043
other
Hg3
3
166
95.14
mp-1055932
-7.285403
-5.601426
5.327275
other
Sc1
1
166
24.35
mp-1186440
-6.859023
-7.243819
7.129912
other
Pm3
3
166
104.34
mp-1094122
-7.335893
-10.797678
5.435621
other
Mg9
9
166
202.98
mp-1057273
-6.32209
-6.941038
2.332946
other
Pb2
2
166
64.84
mp-979286
0.154352
4.222211
-2.25303
other
Xe1
1
166
96.07
mp-1184569
-7.248337
-7.591629
1.663081
other
Hg2
2
166
55.57
mp-1094057
-4.162282
-4.834003
5.56196
other
Si9
9
166
125.37
mp-989737
-7.916747
-6.586573
1.982066
other
Ag3
3
166
54.15
mp-1183069
-6.404796
-7.961801
5.459537
other
Ac3
3
166
138.84
mp-610917
6.414062
5.904149
-3.849719
other
O2
2
166
36.27
mp-611219
-7.064841
-7.853458
1.691685
other
Hg1
1
166
85.83
mp-1184502
-6.803294
-6.431208
2.540281
other
In3
3
166
79.26
mp-1184115
-7.182157
-6.556352
6.618891
other
Er3
3
166
92.67
mp-973198
-5.029387
-7.392596
2.965348
other
Na3
3
166
111.16
mp-972351
-6.046208
-7.136226
1.881069
other
Tl3
3
166
90.55
mp-121
-7.338652
-7.551743
1.648155
other
Hg1
1
166
26.41
mp-972364
-5.959496
-7.237362
4.32107
other
Yb3
3
166
123.04
mp-973571
-7.636224
-6.661317
7.010769
other
Lu3
3
166
89.07
mp-2516584
5.622734
1.997679
-2.700079
other
C4
4
166
43.63
mp-1104251
-3.370965
1.776233
2.84399
other
B15
15
166
117.1
mp-541848
-3.189122
1.566283
2.851964
other
B108
108
166
925.96
mp-86
-7.109805
-6.910623
7.365491
other
Sm3
3
166
101.92
mp-981544
-7.074629
-6.949519
7.44323
other
Pr3
3
166
110.14
mp-974788
-7.083241
-6.883042
7.289995
other
Nd3
3
166
107.11
mp-1187769
0.260972
4.310522
-2.220703
other
Xe3
3
166
196.97
mp-11698
-7.026902
-6.622149
6.953134
other
Tb3
3
166
96.77
mp-161
-3.496382
1.861147
2.896475
other
B105
105
166
811.63
mp-11
-4.950398
-4.437311
0.08287
other
As2
2
166
45.23
mp-569007
-6.141658
-5.628121
3.620006
other
Ga22
22
166
400.29
mp-23152
-6.322217
-5.601902
0.400272
other
Bi2
2
166
73.17
mp-169
5.580682
2.011687
-2.831291
other
C2
2
166
18.31
mp-569567
5.870801
2.099081
-2.394362
other
C14
14
166
79.04
mp-10659
-7.242353
-6.814725
7.157409
other
Ho3
3
166
93.27
mp-1184764
-4.055009
-7.109598
1.802177
other
K3
3
166
230.92
mp-1178932
-5.833122
-3.150675
-1.695544
original
Te2
2
166
62.29
mp-130
-3.376471
-3.762004
0.668177
other
P2
2
166
32.29
mp-160
-3.366798
1.716942
2.865129
original
B12
12
166
86.75
mp-569517
5.857394
2.088222
-2.39116
other
C10
10
166
56.47
mp-1187812
-9.271222
-5.674619
3.220628
other
Zn3
3
166
43.33
mp-104
-5.708045
-5.063064
0.475504
other
Sb2
2
166
62.88
mp-975590
-7.281164
-1.238212
-1.99197
other
Kr3
3
166
141.71
mp-680372
5.837827
2.309226
-2.795827
other
C60
60
166
601.94
mp-1187073
-4.990151
-7.585965
3.519117
other
Sr3
3
166
171.4
mp-982872
-7.132247
-7.680376
1.644501
other
Hg1
1
166
31.52
mp-1183542
-7.560152
-6.816899
2.204358
other
Cd1
1
166
21.94
mp-1018122
-7.361643
-6.830433
7.165992
other
Tm3
3
166
91.99
mp-867126
-4.080888
-7.017325
1.594235
other
Rb3
3
166
283.06
mp-10658
-7.16691
-6.865677
7.277448
other
Dy3
3
166
94.86
mp-972256
0.169242
4.231224
-2.25416
other
Xe1
1
166
85.79
mp-569416
5.593736
2.007025
-2.78618
other
C8
8
166
95.27
mp-1187739
-6.883808
-6.765154
7.067781
other
Y3
3
166
100.68
mp-570087
-7.244426
-6.927459
7.018459
other
Gd3
3
166
102.7
mp-975065
-5.514475
-0.509266
3.680795
other
Re3
3
166
44.43
mp-569304
5.606771
1.986052
-2.73409
other
C4
4
166
57.81
mp-1228790
-3.441679
1.777281
2.911817
other
B105
105
166
820.13
mp-1064307
-5.81027
-2.982148
-1.745725
other
Te4
4
18
141.04
mp-1247808
-3.880123
-1.699175
-3.480916
other
Se4
4
18
105.51
mp-1095086
-5.298197
-3.480715
3.719255
other
Ta8
8
182
176.4
mp-1067619
-5.772858
-5.299806
3.676634
other
Ge4
4
186
156.19
mp-669382
-8.290969
-0.18008
3.769709
other
Co46
46
186
518.25
mp-730101
3.792918
-0.389022
-2.76648
other
H8
8
19
371.81
mp-1182684
5.161536
2.594954
-3.242964
other
C80
80
19
1,477.97
mp-555915
-2.416634
-0.252196
-4.657216
other
S72
72
19
1,965.59
mp-1977495
-7.240964
-5.559377
5.305222
other
Sc3
3
191
70.49
mp-1063005
-6.057227
-6.878943
3.350953
other
Li3
3
191
61.27
mp-1196961
-3.994329
-4.900025
5.651216
other
Si40
40
191
926.99
mp-1246134
-9.076553
-1.401224
2.741478
other
Ni1
1
191
11.65
mp-754382
-2.798821
-8.325517
1.275957
other
He1
1
191
18.67
mp-754417
5.103038
-0.394239
-2.911109
other
H1
1
191
6.93
mp-605790
-4.725353
-7.33032
3.424453
other
Ba1
1
191
63.02
mp-1076920
-5.042468
-3.630597
3.443703
other
U3
3
191
56.55
mp-990448
5.738419
2.058829
-2.564428
other
C2
2
191
44.53
mp-1055956
-6.999703
-10.856271
5.571377
other
Mg1
1
191
24.53
mp-10861
-7.279584
-7.613402
1.639388
other
Hg3
3
191
82.44
mp-568806
5.580376
1.99656
-2.781327
other
C8
8
191
76.47
mp-1056376
-5.510207
-4.018107
3.904287
other
Zr1
1
191
23.61
mp-1096950
-7.447824
0.753599
4.189658
other
Fe1
1
191
12.82
mp-72
-5.448315
-3.096888
3.865977
original
Ti3
3
191
51.06
mp-1008283
-4.672275
-7.371995
3.419873
other
Ba2
2
191
165.71
mp-1094136
-8.977079
-1.372222
2.646494
other
Ni4
4
191
142.35
mp-1009460
-5.717259
-3.991048
4.191403
other
Hf3
3
191
65.82
mp-1056418
-3.642786
-8.191182
2.013185
other
Sr1
1
191
462.24
mp-34
-3.806393
-4.868169
5.90903
other
Si1
1
191
14.67
mp-1056004
-5.924396
-0.867518
3.463103
other
Mo1
1
191
16.56
mp-1055985
-2.934873
0.994115
2.747183
other
B1
1
191
9.12
mp-1178608
-5.478555
-3.994537
3.930593
other
Zr1
1
191
56.04
mp-1040425
5.744927
2.068929
-2.568533
other
C2
2
191
105.49