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-1196857
5.589609
2.66383
-3.235609
other
C52
52
62
1,020.62
mp-1007976
-4.117932
-6.664923
1.442968
other
Cs4
4
62
464.93
mp-1064227
-5.14437
-7.347369
3.83173
other
Ca2
2
63
87.02
mp-10021
-6.140577
-5.619509
3.607067
other
Ga2
2
63
36.38
mp-1056957
6.296755
3.823203
-2.268532
other
C2
2
63
17.18
mp-1009594
-7.082755
-6.955595
7.446899
other
Pr2
2
63
73.9
mp-1097832
6.305232
3.77228
-2.622198
other
C2
2
63
26.3
mp-1095269
-4.029653
-4.897333
5.754815
other
Si12
12
63
259.72
mp-2351841
-3.788003
-4.923773
5.947301
other
Si4
4
63
62.23
mp-1096840
-4.707976
-7.320683
3.349236
other
Ba2
2
63
129.78
mp-1059259
-9.475652
-4.550611
3.701919
other
Cu2
2
63
23.99
mp-1204627
-3.993168
-4.901909
5.65585
other
Si46
46
63
1,069.8
mp-1058581
-4.703362
-7.319064
3.344135
other
Ba2
2
63
131
mp-1059289
-6.68126
-0.716778
3.945677
other
Cr2
2
63
23
mp-64
-6.059972
-6.059552
5.721054
other
Ce2
2
63
50.76
mp-1067880
-6.326076
-5.69257
3.842901
other
Ga4
4
63
79.72
mp-975204
-4.080724
-7.014979
1.593741
other
Rb2
2
63
190.61
mp-1057315
-5.637364
-7.383399
4.034994
other
Eu2
2
63
82.92
mp-1001113
-3.822426
-4.90739
5.88728
other
Si4
4
63
61.42
mp-44
-5.137356
-3.649725
3.655618
other
U2
2
63
39.3
mp-1271198
-7.595469
0.546955
4.054244
other
Fe4
4
63
48.69
mp-975272
-7.234512
-7.630654
1.623135
other
Hg2
2
63
56.76
mp-1096835
-4.805202
-7.31551
3.662521
other
Ba4
4
63
217.49
mp-1009757
-3.992973
-1.728979
-3.311299
other
Se2
2
63
51.96
mp-567540
-6.159674
-5.624321
3.588235
other
Ga20
20
63
365.23
mp-972981
-4.05514
-7.108805
1.801502
other
K2
2
63
154.17
mp-1058623
6.687317
5.518194
-3.675931
other
O2
2
63
20.16
mp-683919
5.741461
2.194868
-2.873101
other
C140
140
63
1,584.15
mp-1008394
2.191225
2.799528
-4.36292
other
Cl4
4
64
112.68
mp-142
-6.273151
-5.710007
3.787633
original
Ga4
4
64
76.7
mp-22848
2.203888
2.801089
-4.359114
other
Cl4
4
64
112.86
mp-1103107
-6.032685
-6.90389
3.368466
other
Li12
12
64
242.57
mp-1078637
-6.399867
-5.574359
0.427561
other
Bi8
8
64
260.4
mp-1546032
-7.237402
-7.634108
1.632775
other
Hg6
6
64
171.24
mp-1187777
0.210188
4.267413
-2.23649
other
Xe4
4
64
305.18
mp-1079020
-5.344388
-5.119085
3.002437
other
Ge8
8
64
149.56
mp-573579
-4.118873
-6.664416
1.442836
other
Cs8
8
64
946.5
mp-23153
-0.842459
2.252521
-3.182589
other
I4
4
64
206.87
mp-1184804
-4.051607
-7.109632
1.805228
other
K8
8
64
612.23
mp-760482
8.185116
2.569172
-1.074797
other
F4
4
64
94.43
mp-1067285
-5.126185
-7.369145
3.870703
other
Ca4
4
64
178.13
mp-573691
-4.03574
-7.117644
1.825155
other
K8
8
64
591.76
mp-1120743
-2.968991
-5.56302
1.116331
other
P4
4
64
343.52
mp-23154
-0.291629
1.536542
-4.023146
other
Br4
4
64
157.37
mp-1079649
-3.959707
-4.856889
5.8076
other
Si8
8
64
116.89
mp-973783
4.183582
-0.255997
-2.82676
other
H4
4
64
55.78
mp-157
-3.438355
-3.809325
0.500436
original
P4
4
64
81.83
mp-1987603
-5.353325
-4.268283
3.214108
other
U16
16
64
886.81
mp-1007857
-6.160107
-5.560122
3.729216
other
Ga4
4
64
71.88
mp-867305
-5.753689
-4.688951
3.583812
other
Pu4
4
64
75.28
mp-158
-4.966967
-4.448867
0.050526
other
As4
4
64
98.55
mp-579909
5.788113
2.649388
-2.98125
other
C8
8
65
83.32
mp-1068966
-4.033194
-7.091842
1.796708
other
K5
5
65
502.28
mp-9924
-5.837134
-2.977219
-1.815095
other
Te2
2
65
70.4
mp-1008374
5.662546
2.267649
-2.920206
other
C4
4
65
26.04
mp-1224349
-5.398276
-5.144092
2.994871
other
Ge1
1
65
19.61
mp-1217805
-2.027141
-7.868411
2.476816
other
Ta2
2
65
1,135.09
mp-568410
5.8876
2.414083
-2.745485
other
C8
8
65
56.96
mp-1078845
5.770656
2.067567
-2.339792
other
C8
8
65
46.1
mp-1981700
-5.102661
-3.801644
3.507173
other
U8
8
65
167.18
mp-1066989
4.147401
-0.253522
-2.829271
other
H4
4
65
56.87
mp-1179641
-3.158599
-0.549446
-4.434212
other
S4
4
66
125.52
mp-1179639
-3.253402
-0.649671
-4.327182
other
S4
4
66
119.08
mp-624889
5.701083
2.632613
-3.120196
other
C8
8
67
68.37
mp-568286
5.576715
2.006728
-2.820744
other
C16
16
67
146.43
mp-568363
5.617468
1.9933
-2.714211
other
C4
4
67
42.99
mp-148
-5.400294
-5.101724
3.058962
other
Ge4
4
69
77.67
mp-1180981
-0.776234
2.316504
-3.199847
other
I1
1
69
40.55
mp-1181096
-7.116304
-7.716671
1.638796
other
Hg1
1
69
32.84
mp-109
-3.831489
-4.894003
5.938063
other
Si4
4
69
59.83
mp-937760
5.579391
2.005749
-2.8006
other
C4
4
69
37.48
mp-607540
6.540487
5.803587
-3.38189
other
O2
2
69
22.13
mp-1184687
-7.312104
-7.586251
1.640961
other
Hg4
4
69
107.79
mp-1179414
-6.722508
-6.138484
1.88478
other
Sn8
8
71
228.68
mp-639751
-0.921166
2.459097
-3.262027
original
I1
1
71
44.81
mp-1056308
-6.710159
-6.132693
1.895432
other
Sn1
1
71
27.87
mp-998864
0.09212
1.685973
-4.127701
other
Br1
1
71
31.68
mp-630227
5.818782
2.277255
-2.823548
other
C60
60
71
630.91
mp-1120813
-0.056321
1.780353
-3.896389
other
Br32
32
70
2,607.46
mp-1063817
-4.048831
-7.015003
1.596478
other
Rb4
4
70
487.61
mp-1018045
-4.070943
-7.021882
1.604097
other
Rb4
4
70
384.72
mp-77
-2.417714
-0.229311
-4.625842
other
S32
32
70
880.39
mp-571261
-5.785201
-4.487197
3.88081
other
Pu2
2
70
34.78
mp-1061054
-5.396788
-5.097431
3.041373
other
Ge2
2
74
38.03
mp-7245
-3.312792
-3.712819
0.661321
other
P2
2
74
31.63
mp-754514
5.418791
3.488072
-3.64514
other
N2
2
74
28.51
mp-1077723
-5.586489
-3.905974
3.904902
other
Zr6
6
72
140.66
mp-1096869
5.770405
2.104557
-2.618894
other
C71
71
8
1,422.21
mp-734188
6.630056
5.823101
-3.883882
other
O12
12
92
201.66
mp-1078638
-5.133075
-7.343117
3.892397
other
Ca8
8
92
333.55
mp-723285
6.394057
5.931906
-3.840003
other
O8
8
92
143.65
mp-1102442
6.510294
5.511858
-3.586041
other
O12
12
92
110.49
mp-137
-5.534611
-5.096472
3.480444
other
Ge12
12
96
249.6
mp-994911
-2.377639
-0.106934
-4.547503
other
S8
8
99
5,791.14
mp-987595
-5.887492
-3.715911
-1.337464
other
La8Te16
24
100
775.88
mp-571576
-5.885356
-3.713367
-1.338093
other
La8Te16
24
100
775.36
mp-818205
8.711907
10.511175
-3.994028
other
V6O20
26
100
435.04
mp-1342078
-5.884263
-3.711823
-1.338723
other
La8Te16
24
100
775.36
mp-2565
4.989593
3.176102
-4.084486
other
S16N8
24
102
598.37
mp-1227307
-6.992703
-0.424956
3.781738
other
Cr16Co14
30
102
354.67