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-1194030
-7.605913
0.638382
4.188356
other
Fe28
28
136
339.74
mp-569794
-5.542559
-2.785766
3.569247
other
Ta30
30
136
554.37
mp-697196
-5.297676
-3.473056
3.65083
other
Ta22
22
136
527.14
mp-1192789
-6.64989
-0.735981
3.995093
other
Cr28
28
136
336.95
mp-1204046
-3.99614
-4.906682
5.688275
other
Si106
106
137
2,445.07
mp-570778
2.116619
2.853552
-4.269656
other
Cl16
16
138
1,027.04
mp-1056579
-4.107699
-4.821239
5.640199
other
Si1
1
139
13.98
mp-639755
-4.063337
-7.014642
1.592333
other
Rb1
1
139
95.35
mp-632291
4.185221
-0.251411
-2.824688
other
H2
2
139
23.56
mp-568714
-6.092956
-5.892234
0.634141
other
Bi1
1
139
103.72
mp-1008395
5.739057
2.078585
-2.265731
other
C4
4
139
23.65
mp-140
-6.142009
-5.565936
3.736301
other
Ga1
1
139
17.72
mp-1010136
-9.42173
-4.56806
3.647352
other
Cu1
1
139
11.47
mp-1271068
-7.598297
0.493873
3.983263
other
Fe4
4
139
45.74
mp-850274
4.106683
-0.272149
-2.805792
other
H2
2
139
34.56
mp-974920
-5.029487
-7.392747
2.965413
other
Na1
1
139
37.05
mp-975519
-4.076616
-7.014723
1.592898
other
Rb1
1
139
95.68
mp-999200
-4.005872
-4.923273
5.703288
other
Si4
4
139
85.04
mp-1183694
-4.134251
-6.661964
1.450867
other
Cs1
1
139
123.95
mp-1095534
5.292898
2.554514
-3.314758
other
C12
12
139
124.72
mp-1095633
5.542822
2.444688
-3.108987
other
C12
12
139
143.4
mp-1179832
-3.940312
-7.012854
1.57599
other
Rb8
8
139
4,410.57
mp-1055994
-6.809315
-6.426891
2.553574
other
In1
1
139
26.48
mp-1056366
-7.32091
-5.582736
5.317005
other
Sc1
1
139
25.25
mp-1271128
-7.530544
0.551622
3.969296
other
Fe2
2
139
21.77
mp-1181996
6.296501
3.822886
-2.272814
other
C2
2
139
17.15
mp-1205417
5.593454
2.652771
-3.245948
other
C20
20
139
456.36
mp-1239196
-6.078353
-5.047499
5.537913
other
Al4
4
139
94.04
mp-623511
-6.724347
-6.139771
1.839524
other
Sn1
1
139
28.67
mp-1056351
-7.302742
-10.802615
5.443923
other
Mg1
1
139
22.64
mp-62
-5.62462
-5.509611
5.381805
other
Pa1
1
139
24.46
mp-166
-5.134307
-7.342505
3.870441
other
Ca1
1
139
42.29
mp-1183455
-5.138476
-7.343875
3.844636
original
Ca2
2
139
86.2
mp-55
-6.701832
-6.127265
1.934997
other
Sn1
1
139
27.35
mp-1010048
0.007677
1.906186
-4.221176
other
Br1
1
139
29
mp-1238842
-4.930074
-4.450804
0.135256
other
As3
3
139
67.5
mp-632172
4.153309
-0.257985
-2.818543
other
H2
2
139
31.26
mp-601148
-0.787607
2.345952
-3.180572
other
I1
1
139
44.63
mp-10631
-5.775741
-5.102293
0.531052
other
Sb1
1
139
26.96
mp-569289
-7.156157
-7.680392
1.630859
other
Hg1
1
139
30.88
mp-568938
-7.065781
-6.949166
7.444355
other
Pr1
1
139
36.33
mp-1179962
-5.888547
-4.642673
3.593489
other
Pu8
8
14
151.67
mp-542461
-4.343126
-1.914972
-3.426019
other
Se32
32
14
1,051.28
mp-723638
5.367554
2.399998
-3.183123
other
C48
48
14
719.69
mp-1094073
-2.485158
-0.183117
-4.53686
other
S4
4
14
116.55
mp-556269
-2.414156
-0.247343
-4.646746
other
S72
72
14
1,964.87
mp-557559
-2.464563
-0.29435
-4.716454
other
S28
28
14
746.65
mp-570481
-4.319874
-1.882038
-3.421731
other
Se64
64
14
2,135.3
mp-557488
-2.422211
-0.241792
-4.644414
other
S36
36
14
993.37
mp-542605
-4.317112
-1.897701
-3.433018
other
Se32
32
14
1,056.16
mp-1077098
-7.094935
-7.755573
1.640028
other
Hg6
6
14
225.61
mp-583072
-2.431063
-0.243444
-4.65992
other
S104
104
14
2,928.13
mp-1179643
-2.512853
-0.164946
-4.427563
other
S4
4
14
157.41
mp-83
-2.459544
-0.290156
-4.714392
other
S56
56
14
1,494.3
mp-1080694
-7.550087
-1.341027
4.466541
other
Os8
8
14
117.26
mp-1180157
-1.784418
-8.72982
2.092663
other
Os8
8
14
725.98
mp-1065250
-2.51471
-0.174447
-4.491212
other
S4
4
14
134.77
mp-570384
-4.724792
-7.322277
3.390395
other
Ba4
4
140
261.93
mp-1078640
-4.031337
-7.096153
1.808132
other
K8
8
140
791.8
mp-567826
-4.977959
-7.622607
3.503651
other
Sr4
4
140
247.42
mp-1102666
-6.33681
-7.001515
2.323207
other
Pb12
12
140
406.86
mp-568087
-6.336955
-5.647183
0.3989
other
Bi4
4
140
163.6
mp-567144
-5.687182
-5.073544
0.410642
other
Sb4
4
140
131.58
mp-567308
-7.205622
-5.699947
5.344109
other
Sc4
4
140
103.23
mp-1008498
-5.143872
-7.365118
3.825744
other
Ca4
4
140
184.86
mp-1184591
-7.304197
-7.575902
1.65881
other
Hg2
2
141
53.99
mp-1216274
-5.999414
-0.692999
3.767241
other
W4
4
141
68.85
mp-1180961
-4.027921
-7.103925
1.820985
other
K2
2
141
156.92
mp-84
-6.697532
-6.123833
2.053375
other
Sn2
2
141
55.3
mp-3
-4.112574
-6.668044
1.443593
other
Cs2
2
141
250.35
mp-78
-5.394516
-5.050814
3.08342
other
Ge2
2
141
37.05
mp-639736
-4.07371
-7.026714
1.602687
other
Rb2
2
141
192.17
mp-92
-3.850289
-4.891646
5.929167
other
Si2
2
141
29.9
mp-1057139
-7.140111
-0.945259
4.170501
other
Mn2
2
141
23.88
mp-10617
-4.922715
-7.602012
3.587706
other
Sr2
2
141
111.04
mp-571520
-3.93203
-4.863205
5.88395
other
Si8
8
148
144.98
mp-128
-5.562519
-5.159065
3.484149
other
Ge8
8
148
173.08
mp-7
-2.485289
-0.379325
-4.712289
original
S6
6
148
152.8
mp-147
-4.212427
-1.839994
-3.42815
other
Se6
6
148
178.73
mp-608100
-3.344766
-0.776156
-4.348055
other
S18
18
143
1,105.42
mp-655141
-3.125864
-0.650991
-4.472291
other
S18
18
143
894.49
mp-1067793
8.683013
2.623333
-1.172178
other
F4
4
15
46.78
mp-1179656
-4.076034
-7.021907
1.599495
other
Rb8
8
15
722.11
mp-1077335
-5.157169
-3.735357
3.528304
other
U6
6
15
125.24
mp-604325
-4.026722
-7.104763
1.82277
other
K2
2
15
156.26
mp-561203
8.250348
2.734958
-0.919496
other
F4
4
15
53.43
mp-1087546
6.403109
5.918712
-3.841056
other
O8
8
15
148.07
mp-557031
-2.435914
-0.283665
-4.69459
other
S32
32
15
854.11
mp-1199894
-3.986639
-4.903697
5.665974
other
Si82
82
15
1,873.17
mp-557376
-2.427553
-0.24423
-4.651125
other
S20
20
15
552.16
mp-1180050
6.82188
5.56577
-3.347134
other
O8
8
15
83.6
mp-19
-5.837318
-3.056147
-1.740056
other
Te3
3
152
108.19
mp-1183057
-6.381601
-7.945252
5.456069
other
Ac3
3
152
136.03
mp-567630
-7.068382
-6.94559
7.440797
other
Pr6
6
152
219.15
mp-14
-4.262092
-1.913349
-3.457368
other
Se3
3
152
87.5
mp-555760
-2.429388
-0.289622
-4.718555
other
S9
9
154
233.21
mp-1179917
-7.072459
-6.947929
7.441952
other
Pr3
3
154
109.98
mp-567313
-5.836702
-3.05309
-1.7394
other
Te3
3
154
108.69
mp-2421172
6.839416
5.826522
-3.698432
other
O6
6
161
126.53
mp-1023923
6.83896
5.743717
-3.664773
other
O6
6
161
106.48