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-1197394
-7.895845
-7.258449
3.653589
other
Tb22Cd90
112
216
2,596.08
mp-28963
-7.735556
-6.444195
2.001184
other
Ag8S1
9
216
190.08
mp-1103394
-3.234255
1.642651
2.830193
other
Li1B11
12
216
84.38
mp-650
-5.255138
-1.429125
4.603067
other
Be5Pd1
6
216
53.35
mp-1232373
-7.004233
-10.746739
5.164543
other
Mg5Ge1
6
216
137.52
mp-1200338
-9.160457
-1.407406
2.931036
other
Y15Ni32
47
216
717.01
mp-7870
11.718627
8.707079
1.72154
other
Gd1O1
2
216
39.2
mp-30600
-9.618169
-4.701238
4.113434
other
Tm1Cu5
6
216
82.61
mp-1008635
-4.061909
0.440883
2.843757
other
W1C1
2
216
26.11
mp-866291
-0.640976
1.216643
-4.374597
other
Ag1Br1
2
216
60.74
mp-10143
-5.460196
-3.369505
4.170013
other
Ti1B1
2
216
30.55
mp-1071690
-5.407311
-1.323845
4.670183
other
Be5Co1
6
216
47.97
mp-1009496
0.417992
2.002255
2.025296
other
Os1N1
2
216
24.35
mp-1193776
-6.813662
-3.392884
-0.079488
other
Te5Pd21
26
216
495.51
mp-1009792
-5.174925
-0.253994
3.128381
other
Ru1C1
2
216
23.8
mp-1009747
-5.887275
-6.392918
2.811936
other
Sc1Sn1
2
216
74.78
mp-998908
0.840424
1.624585
2.730306
other
Ti1N1
2
216
24.37
mp-1018132
-5.950192
-5.846041
0.577173
other
Al1Bi1
2
216
67.05
mp-1190964
-6.789222
-3.317296
-0.2144
other
Te5Pd20
25
216
489.2
mp-1008688
-5.501201
-3.228044
3.27562
other
Ti2Sn1
3
216
68.69
mp-1008920
-7.273143
-1.254615
4.152359
other
Mn2Ge1
3
216
40.74
mp-1009746
-4.255538
-4.158924
0.774232
other
Sc1P1
2
216
52.25
mp-1407787
-5.238677
-1.677235
-3.770534
other
Cr4Se8
12
216
257.72
mp-1008689
-5.100281
-3.420898
4.272642
other
Ti2Si1
3
216
57.99
mp-1009639
2.159158
1.850266
1.711201
other
Pr1N1
2
216
43.1
mp-1039365
-6.425116
-6.605361
4.988774
other
Ce4Mg4
8
216
390.91
mp-10695
-4.840299
-1.742098
-6.700802
other
Zn1S1
2
216
39.09
mp-1228165
-4.828791
-2.897601
-4.200413
other
Al5Se8
13
216
292.04
mp-1009833
0.766142
1.699568
2.725314
other
Ta1N1
2
216
27
mp-1639
3.21127
2.625905
0.309567
other
B1N1
2
216
11.92
mp-252
-5.85617
-3.346056
-1.993133
other
Be1Te1
2
216
45.4
mp-761471
6.460803
13.634482
-2.318797
other
Co5O8
13
216
125.71
mp-1009696
-4.83545
-0.253112
2.945906
other
Rh1C1
2
216
24.36
mp-1986
10.411707
8.976931
0.058436
other
Zn1O1
2
216
23.68
mp-33088
12.140588
9.150003
1.491371
other
Zr1O1
2
216
31.75
mp-1008987
0.738433
2.120322
1.826343
other
Ir1N1
2
216
25.07
mp-1220929
-4.005258
-4.893777
5.646589
other
Na1Si34
35
216
797.55
mp-1223103
-2.691352
-2.631686
-5.538314
other
La5S8
13
216
446.34
mp-1008702
-5.357613
-3.095101
3.650989
other
Ti2In1
3
216
68.98
mp-1002209
0.423653
1.964959
2.262646
other
Re1N1
2
216
24.69
mp-1778
12.317002
6.065292
-1.682344
other
Be1O1
2
216
13.69
mp-1018164
-4.347548
-0.916888
2.571878
other
Pt1C1
2
216
26.45
mp-1213530
-9.208454
-4.697725
3.382465
other
Cu82Sn22
104
216
1,460.55
mp-1001833
-5.979813
-5.972116
0.614168
other
In1Bi1
2
216
77.47
mp-573471
-6.41433
-6.83902
3.040659
other
Li85Sn20
105
216
1,900.77
mp-448
0.440048
2.688597
1.689935
other
Co1N1
2
216
18.79
mp-1200708
-7.942529
-5.003049
5.204533
other
Sc88Ir14
102
216
2,231.1
mp-1008223
-4.720705
-3.499956
-3.778086
other
Ca1Se1
2
216
71.87
mp-1197508
-7.859376
-7.296705
3.756914
other
Ho22Cd90
112
216
2,556.88
mp-379
-4.809264
-2.438668
-3.898154
other
Ag1Se1
2
216
53.39
mp-973835
1.063611
2.286828
1.031886
other
Pd1N1
2
216
26.73
mp-2838
-8.892464
-1.634028
3.035206
other
U1Ni5
6
216
74.85
mp-1209947
-7.692207
-5.111346
5.279865
other
Sc88Ru14
102
216
2,242.22
mp-830
2.286959
2.199291
1.710566
original
Ga1N1
2
216
22.89
mp-10013
-3.613788
-1.496984
-5.629231
other
Sn1S1
2
216
69.62
mp-1228158
-4.446255
-1.131182
-6.066179
other
Al5S8
13
216
240.6
mp-1002124
-2.665645
-0.034116
2.842051
other
Hf1C1
2
216
32.06
mp-510148
-9.177681
-4.468755
4.15906
other
U1Cu5
6
216
87.23
mp-1077075
-8.438468
-2.597101
4.023024
other
Ce1Ir5
6
216
103.24
mp-1009820
-1.679189
0.435819
2.032918
other
Sn1C1
2
216
32.9
mp-1201907
-7.365839
-7.653785
1.930392
other
Ba20Hg103
123
216
3,571.32
mp-32857
-5.458127
-2.960119
-4.362621
other
Cu13Se8
21
216
375.29
mp-1009213
-5.79838
-4.802207
0.590693
other
Mn1Sb1
2
216
59.19
mp-1156
-5.30975
-5.669595
0.309574
other
Ga1Sb1
2
216
57.79
mp-1009130
0.48959
2.418352
1.889272
other
Mn1N1
2
216
18.93
mp-20351
-3.484766
-4.168056
0.656157
other
In1P1
2
216
51.45
mp-16364
-5.788604
-3.638257
-1.831652
other
Sn1Te1
2
216
94.18
mp-1001828
0.189312
2.110284
2.20718
other
W1N1
2
216
25.53
mp-2534
-4.718272
-4.897264
0.058467
other
Ga1As1
2
216
47.53
mp-1009494
1.532769
1.553513
2.34973
other
Np1N1
2
216
36.18
mp-1204948
-7.902101
-8.022351
2.802767
other
La22Hg90
112
216
2,866.83
mp-10634
9.153151
1.049384
0.687142
other
Cu1F1
2
216
28.46
mp-1220218
-2.757794
-2.713368
-5.657803
other
Nd5S8
13
216
413.67
mp-406
-6.123592
-3.438742
-2.390374
original
Cd1Te1
2
216
70.71
mp-2439
-8.750272
-1.420301
2.868909
other
Zr1Ni5
6
216
73.44
mp-1238899
10.762103
12.312322
0.120811
other
Mn1O1
2
216
28.67
mp-573651
-6.366914
-6.981465
3.111236
other
Li88Pb20
108
216
2,010.54
mp-570153
-7.737425
-10.243706
5.341071
other
Mg88Rh14
102
216
2,052.8
mp-1479
-3.101046
1.546365
2.56319
other
B1P1
2
216
23.27
mp-6988
0.374663
2.787771
1.740495
other
Fe1N1
2
216
18.5
mp-1077534
-8.089705
-3.219335
2.502139
other
Pa1Pt5
6
216
104.38
mp-13117
1.555261
2.103722
1.158886
other
Cu1N1
2
216
21.75
mp-1550
-3.318036
-3.954129
0.869307
other
Al1P1
2
216
40.98
mp-8097
-2.778585
-3.600948
0.801612
other
Si1P1
2
216
38.16
mp-1008727
-5.523207
-3.010223
3.475139
other
Ti2Ge1
3
216
59.84
mp-1038818
-6.331273
-9.18144
5.377803
other
Mg1Al1
2
216
66.52
mp-580364
-9.659291
-4.705418
4.059982
other
Ho1Cu5
6
216
83.48
mp-1009135
-4.155299
-3.375138
0.732016
other
Mn1P1
2
216
36.32
mp-1009750
2.268561
1.948088
1.869935
other
Sc1N1
2
216
29.33
mp-1001826
0.320989
2.041242
2.193025
other
V1N1
2
216
21.87
mp-22297
-5.39573
-3.053708
-4.583698
other
Cu2Se1
3
216
48.39
mp-1009752
-4.746241
-5.093658
5.657133
other
Sc1Si1
2
216
58.86
mp-1008912
-4.202877
-5.284667
2.03201
other
Ag1C1
2
216
30.27
mp-1205189
-7.862964
-7.300708
3.722185
other
Dy22Cd90
112
216
2,581.58
mp-1405065
-5.149979
1.096201
-4.211071
other
Mo4S8
12
216
221.13
mp-1220
-5.101583
-1.595147
4.609297
other
Be5Au1
6
216
56.68
mp-1072444
-7.978783
-3.231266
2.58149
other
U1Pt5
6
216
103.9
mp-2172
-4.708113
-4.81839
0.297488
other
Al1As1
2
216
45.71
mp-1018155
-7.353906
-5.162468
2.671315
other
Mn1Sn1
2
216
57.83
mp-1009650
-4.84614
-6.141841
0.752191
other
Rb1Sb1
2
216
154.4