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-1008802
-4.014231
-0.096374
2.873783
other
Re1C2
3
123
27.81
mp-1039124
-7.136407
-7.87511
3.066857
other
Mg1Cd1
2
123
42.13
mp-1207089
-8.158541
-6.526867
5.789221
other
Lu1In1
2
123
49.3
mp-1215509
-8.577856
-4.4254
2.096903
other
Zn2Pd4
6
123
85.96
mp-1217345
-5.62956
-4.397656
4.12803
other
Th1Zr3
4
123
101.9
mp-1207006
-2.815921
-8.21839
1.311828
other
Th2Sb3
5
123
4,109.29
mp-1215845
-7.351302
-6.130749
4.370136
other
Yb2Ru1
3
123
82.2
mp-1227355
-6.376291
-5.637753
0.510165
other
Bi3Au1
4
123
127.81
mp-1223633
-5.825658
-5.60712
0.738432
other
In1Sb1
2
123
58.83
mp-1179197
6.566989
5.900043
-3.652332
other
Sr1O10
11
123
168.64
mp-1213556
-2.658075
-8.311478
1.66692
other
Er2Ga12
14
123
3,624.1
mp-1218044
-6.279333
-1.960802
4.109966
other
Ta6Ru4
10
123
162.31
mp-1217326
-6.849328
-3.502132
0.062973
other
Te1Pd3
4
123
70.42
mp-1215997
-8.003613
-6.557352
5.68241
other
Y1In1
2
123
52.64
mp-1208168
-3.281448
-5.613989
1.31551
other
U1P4
5
123
1,171.4
mp-1225083
-8.126978
0.027936
3.695006
other
Fe1Co3
4
123
42.95
mp-758104
-8.501065
-3.78364
2.125682
other
Mn11Pd21
32
123
478.96
mp-1059552
-6.766933
-5.629892
3.164154
other
Sm1Bi1
2
123
60.88
mp-1022724
5.998637
2.835949
-2.772457
other
Ca1C4
5
123
49.83
mp-1001836
-7.265648
-1.274463
4.114715
other
Mn1Ga1
2
123
27
mp-1014287
6.495163
3.824157
-2.445649
other
C6N2
8
123
70.35
mp-1225892
4.655082
2.975927
-3.440614
other
Cs1N3
4
123
96.57
mp-1953
-5.856061
-2.408232
4.538032
other
Ti1Al1
2
123
32.13
mp-1094801
-6.755682
-9.17464
3.327987
other
Mg1Sn1
2
123
46.95
mp-1019238
-8.114154
-4.639059
2.146863
other
Pd4N2
6
123
112.37
mp-1216611
-6.619982
-6.653291
2.329067
other
Tl1In3
4
123
109.49
mp-570199
-8.198876
-4.226458
2.622818
other
Ti3Pd5
8
123
123.22
mp-1073705
-2.690012
-6.932037
7.539127
other
Mg1Si1
2
123
34.71
mp-1224013
-7.532833
-6.779123
6.837278
other
Ho3Mg1
4
123
116.97
mp-1185858
-8.188908
-11.089018
6.165775
other
Mg1Cr1
2
123
37.45
mp-1251
-7.397195
-1.497629
3.652848
other
V2Rh2
4
123
53.8
mp-10048
-4.731472
-4.882605
0.179759
other
Ga1As1
2
123
40.28
mp-1120769
-7.798669
-1.826652
3.609677
other
Ru1Pt1
2
123
29.53
mp-1203286
1.423002
2.284729
0.742026
other
Cu24N8
32
123
410.93
mp-1064484
0.91304
0.897098
-3.840207
other
Na3Cl1
4
123
115.32
mp-1096987
-8.208984
-0.272818
4.066737
other
Fe1Co9
10
123
130.34
mp-640079
-7.557658
-1.902961
3.524616
other
Mn9Au3
12
123
181.26
mp-1223784
8.426572
8.562013
0.077905
other
K2O1
3
123
83.69
mp-1670
-7.722858
-2.310379
2.746808
other
Mn2Pt2
4
123
60.14
mp-2583
-7.457461
-2.396269
4.02983
other
Ti2Rh2
4
123
58.99
mp-1217629
-7.217364
-6.689673
6.835171
other
Tb3Mg1
4
123
120
mp-1180861
-3.860512
-7.252039
1.862494
other
K2Pd1
3
123
117.71
mp-2510
-7.771241
-6.916155
4.01249
other
Zr2Hg2
4
123
84.86
mp-2556
-6.215597
-6.774107
1.755854
other
Tl1Sn1
2
123
57.93
mp-581833
4.727766
2.953234
-3.385546
other
Rb1N3
4
123
78.15
mp-1094862
-8.169788
-9.28229
4.401965
other
Mg1Zn1
2
123
34.63
mp-1222412
-3.218085
1.546095
2.878743
other
Li2B6
8
123
74.07
mp-429
-8.397943
-1.837615
2.697386
original
Zn2Ni2
4
123
46.28
mp-11359
-8.40276
-4.469242
4.340116
other
Ga2Cu1
3
123
45.48
mp-12794
-8.213721
-4.18574
5.182619
other
Al2Cu1
3
123
48.73
mp-1217961
-5.792938
-2.805417
3.672828
other
Ta1Au1
2
123
34.79
mp-1039141
-5.75393
-7.515944
5.446677
other
Mg1Al1
2
123
37.59
mp-20055
-5.333267
-4.250194
0.795834
other
Np2Sb2
4
123
110.77
mp-12581
-6.063633
-3.339835
-2.177389
other
Cd1Te1
2
123
61.02
mp-1054
-7.61355
-7.302826
5.576908
other
Er2Tl2
4
123
104.38
mp-1147667
-1.063873
2.445503
-3.214912
other
Cu1I2
3
123
122.89
mp-20130
-5.723997
-4.654956
3.247744
other
Pu3Al1
4
123
84.72
mp-1225210
-6.973068
-0.062455
3.563395
other
Fe3Si1
4
123
44.28
mp-945
-8.044168
-2.025687
2.792927
other
Ni2Pt2
4
123
52.56
mp-1207380
-6.294702
-3.995672
4.030194
other
Zr1In1
2
123
43.93
mp-1208130
-2.780362
-8.289557
1.60952
other
Yb2Ga12
14
123
4,300.6
mp-12675
-8.347352
-4.944081
2.423317
other
Mn1Au1
2
123
33.65
mp-1018140
-8.03754
-9.033201
5.018561
other
Mg1Ni1
2
123
27.3
mp-1228868
-8.009181
-1.913461
2.910318
other
Al1Ni1
2
123
23.47
mp-1229041
-5.935338
-3.181719
-2.077266
other
Ag1Te3
4
123
124.71
mp-1281
-7.378201
-1.330738
3.688257
original
V2Ir2
4
123
54.83
mp-949
-7.774531
-1.69207
3.034374
original
Co2Pt2
4
123
53.43
mp-1080191
0.853374
2.341351
1.361478
other
Pd3N2
5
123
64.28
mp-1215473
-7.636574
-0.346855
3.821371
other
Zn1Fe1
2
123
25
mp-672265
-9.202419
-4.366922
3.320238
other
Cu21Pd7
28
123
346.37
mp-1210439
-2.688
-8.29805
1.608647
other
Sm2Ga12
14
123
4,176.86
mp-1215257
-7.390028
-3.319851
4.528278
other
Zr2Rh2
4
123
70.63
mp-1078576
1.429896
2.265869
0.777333
other
Cu6N2
8
123
101.03
mp-1180621
-3.498388
-1.819299
-5.214536
other
K1S1
2
123
50.89
mp-1223699
-8.257625
-4.302751
2.002233
other
In1Pd3
4
123
67.01
mp-1206966
-4.113964
-4.893975
-1.229926
other
Tm2Te3
5
123
3,203.13
mp-1225186
-6.649223
-0.138217
3.509414
other
Fe4Si2
6
123
65.19
mp-1194
-8.077621
-4.190223
2.837258
other
Cd2Pt2
4
123
68.56
mp-1056985
-7.837115
-4.130055
3.018202
other
Ti1Pd1
2
123
30.63
mp-396
-6.989344
-6.350119
4.339144
other
Yb1Ga1
2
123
47.07
mp-1147700
1.40275
2.053667
1.209387
other
Cu2N1
3
123
32.16
mp-1218920
-5.918123
-5.754251
0.82416
other
Sn1Sb1
2
123
58.25
mp-1221542
7.896322
13.561882
-1.855113
other
Mn1O2
3
123
31.61
mp-1206659
-7.651659
-3.326579
4.382393
other
Hf2Ir2
4
123
70.13
mp-1001605
-6.816705
-5.652045
3.248862
other
Pr1Bi1
2
123
63.66
mp-1208655
6.703255
5.59498
-3.434074
other
Sr1O10
11
123
150.24
mp-771
-6.867854
-1.313232
4.993775
other
Mn2Al2
4
123
53.64
mp-1206896
-4.403411
-4.840709
-1.143336
other
Yb2Te3
5
123
4,272.73
mp-1097030
6.380074
8.356974
-2.441445
other
Li1O1
2
123
15.22
mp-1147768
7.398013
10.729619
-0.9218
other
Cu3O3
6
123
67.31
mp-623
-7.703896
-5.560176
1.990858
other
Hg1Pt1
2
123
36.46
mp-1094668
-5.631236
-5.915945
0.446384
other
Mg1Sb1
2
123
49.14
mp-20738
-6.017088
-1.235559
4.547305
other
Fe1Si2
3
123
36.65
mp-1225566
-7.441987
-6.765195
6.578257
other
Er3Mg1
4
123
115.21
mp-1080070
-8.103585
-4.13356
2.850926
other
Ti3Pd5
8
123
128.81
mp-2030206
-6.157068
-5.81943
0.790199
other
In2Bi2
4
123
119.21
mp-1229048
-8.163805
-1.797017
2.630056
other
Al4Ni6
10
123
114.44
mp-1098156
-7.755191
-9.363287
6.476375
other
La1Mg3
4
123
112.19
mp-1226145
-7.609751
-1.515974
2.87302
other
Co3Sn1
4
123
52.82
mp-1235
-7.493374
-2.134415
4.18156
other
Ti2Ir2
4
123
59.67