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-777394
2.572942
2.567907
1.089293
other
Sn16N16O8
40
164
570.4
mp-1246885
1.962115
2.125813
1.285709
other
Sr1Pb2N2
5
164
105.42
mp-505365
12.974681
10.389469
2.24787
other
Mg3Nb6O11
20
164
240.75
mp-1228679
-8.449153
-3.063549
2.507636
other
Ba1B4Pt6
11
164
176.97
mp-569115
-6.449419
-6.800259
3.65201
other
Li8Zn4Ge4
16
164
253.94
mp-12672
7.334341
8.439844
-1.628367
other
Yb2S1O2
5
164
86.82
mp-1175490
6.408884
20.814356
-0.308754
other
Li7Mn5O12
24
164
229.5
mp-1225845
-8.422585
-5.227545
2.670408
other
Cu2Sn2Pd1
5
164
93.25
mp-1224878
-6.169504
-2.318754
-0.864018
other
Ga2Ni5Te4
11
164
200.57
mp-1216822
-4.872985
-3.723186
1.056924
original
U3P2S1
6
164
135.48
mp-10189
-5.7563
-2.861713
-1.774107
other
Li1Ti1Te2
4
164
95.41
mp-754655
7.608677
8.466134
0.242238
other
Eu2Se1O2
5
164
94.44
mp-768908
11.270288
8.194038
2.839261
other
Ho2Te1O2
5
164
94.67
mp-1197803
-7.314126
-5.281219
3.185797
other
Er7Co6Sn23
36
164
962.93
mp-1217980
-5.339456
-1.496097
4.583283
other
Ta2Be8Mo2
12
164
131.52
mp-7297
8.417725
0.895278
1.062065
other
Cs2Sn1F6
9
164
172.24
mp-17438
8.767391
1.257906
1.069555
other
Na6Ge3F18
27
164
370.18
mp-4511
10.598003
8.058628
2.763207
other
La2S1O2
5
164
98.92
mp-1226520
-3.069451
-3.82293
-3.210788
other
Ce1Th2S3
6
164
142.04
mp-1226535
11.47632
8.519723
2.202697
other
Ce1U2O6
9
164
121.68
mp-13976
7.348063
8.46181
-1.291082
other
Yb2Se1O2
5
164
93.35
mp-1222169
-5.85249
-7.349011
5.814397
other
Mg4Al8Zn6
18
164
348.19
mp-752947
-3.83521
-0.652728
-4.995584
other
Na1Ti1S2
4
164
73.66
mp-1245437
1.125413
2.392174
1.526381
other
Sr1Ni2N2
5
164
61.17
mp-1173891
4.139782
18.361286
-1.841216
other
Li4Co2O6
12
164
107.8
mp-1226271
-6.494682
-2.912555
0.646401
other
Cr1Fe3Sb4
8
164
143.45
mp-1024054
-5.351741
-0.751543
-4.4353
other
Fe4Si2S8
14
164
215.01
mp-1018780
-5.907794
-5.899533
0.863372
other
Li3Sm1Bi2
6
164
140
mp-31908
12.935867
10.89486
2.147649
other
Mn6Nb12O22
40
164
497.01
mp-1216670
-5.730503
-2.202883
1.957637
other
Ti1V1As2
4
164
67.2
mp-510456
11.605342
11.047737
-3.954923
other
Zr1Mo2O8
11
164
180
mp-2227138
-5.338531
-0.183061
-5.779166
other
Mg1Cr2S4
7
164
128.75
mp-1246084
1.919998
2.119099
1.347986
other
Rb2Zr1N2
5
164
112.55
mp-1245762
1.881444
2.405519
1.052838
other
Cd1Pb2N2
5
164
99.03
mp-4343
-5.472004
-4.241179
0.479751
other
Sr1Mn2As2
5
164
105.79
mp-1206775
-4.822755
-3.425257
-3.847416
other
Yb1Cu1Se2
4
164
84.49
mp-21071
7.400234
8.864464
-0.016383
other
Eu2S1O2
5
164
89.13
mp-1220456
-6.316298
-1.073622
4.255942
other
Nb2Al2Cr8
12
164
162.28
mp-7768
2.24696
1.802092
1.576752
other
Th2Se1N2
5
164
101.65
mp-4041
-6.140907
-5.24424
4.817605
other
Yb1Al2Ge2
5
164
107.31
mp-1018770
-5.908389
-5.876646
0.856769
other
Li3Pr1Bi2
6
164
144.19
mp-1048819
12.816696
10.908383
1.720074
other
Ti12Al4O24
40
164
445.82
mp-1232292
-6.011771
-5.120295
5.042311
other
Mg1Al2Ge2
5
164
98.02
mp-9272
-4.307352
-1.373568
-4.460813
other
Tl2Pt4S6
12
164
268.94
mp-3821
8.412786
1.274025
0.069465
other
K2Pt1F6
9
164
131.17
mp-10010
-6.410647
-1.068869
4.060427
other
Al1Co2Si2
5
164
60.1
mp-626680
13.260766
6.676852
-3.221841
other
Fe1H2O2
5
164
40.88
mp-1028514
-7.19387
1.664326
-4.526695
other
Mo2W2Se8
12
164
361.97
mp-1246351
0.637157
2.317566
2.037576
other
V2S1N2
5
164
56.98
mp-1211155
-4.445888
-4.607846
6.083725
other
La3Al4Si6
13
164
282.15
mp-1225794
-7.107166
1.833753
-5.001898
other
Cu2W2Se4
8
164
167.56
mp-12856
-4.409508
-4.705752
6.12873
other
Pr1Al2Si2
5
164
106.47
mp-7824
8.933975
1.968735
1.10307
other
K2Re1F6
9
164
133.32
mp-1207385
-1.916803
0.333918
2.334848
other
Zr2Al8C8
18
164
215.6
mp-3862
-5.898475
-5.361839
4.864968
other
Ca1Al2Ge2
5
164
107.71
mp-1101998
-6.396864
-1.141602
1.861821
other
Li4Fe4As4
12
164
148.76
mp-571566
-4.144621
-5.238746
5.341105
other
Li8Zn4Si4
16
164
252.63
mp-754466
9.514054
0.729131
0.871251
other
Li2Ag1F3
6
164
63.56
mp-3048
1.722412
1.543752
2.522936
other
U2Se1N2
5
164
89.61
mp-1219371
-5.427896
-5.969081
0.44257
other
Sm3Mg21Sb16
40
164
1,095.19
mp-1216891
-5.293099
-3.329024
5.148633
other
U4Si6Ru2
12
164
220.32
mp-1025312
-4.178823
-0.387919
-4.065944
other
Mn1Nb2S4
7
164
129
mp-1237425
-7.300854
-5.283426
3.213684
other
Tb7Co6Sn23
36
164
969.23
mp-1227171
-7.120421
-6.618389
3.638478
other
Ce2Ag2Pb2
6
164
233.13
mp-1018656
3.022041
-0.524608
-2.268131
other
Ca2H3Br1
6
164
90.41
mp-1019269
2.929738
-0.252582
-2.442567
other
Sr2H3I1
6
164
119.77
mp-19774
-5.638881
-5.844586
0.680579
other
Eu1Cd2Sb2
5
164
150.16
mp-28487
-5.694637
-3.350233
-1.977489
other
Ge5Te8As2
15
164
416.05
mp-1221668
-6.463112
-3.153312
0.679938
other
Mn1Cr1Sb2
4
164
80.65
mp-1221401
12.050627
11.227767
-1.617412
other
Na2W3O9
14
164
182.1
mp-1221931
16.015591
9.521874
5.718943
other
Mg1Zn2O3
6
164
60.14
mp-20519
-4.108692
-1.581526
-5.806572
other
Cd1In1S2
4
164
88.31
mp-7067
-4.943868
-5.232985
0.448122
other
Ca1Cd2As2
5
164
121.58
mp-1245917
1.623512
1.762404
1.292723
other
Sr2Ca1N2
5
164
119.27
mp-1196839
-7.237259
-5.324301
3.216123
other
Y7Co6Sn23
36
164
966.54
mp-1206637
-5.446863
-1.60561
-3.448862
other
Li1V1Se2
4
164
69.87
mp-758464
10.272917
0.4287
-0.043807
other
Li2Mn1F6
9
164
138.65
mp-7769
2.177265
1.913948
1.670426
other
Th2S1N2
5
164
97.22
mp-23879
10.871371
4.2283
-3.638927
other
Ca1H2O2
5
164
53.49
mp-1229248
-5.799717
-6.976849
3.612766
other
Ca65Ga24Sn19
108
164
3,218.4
mp-1246511
0.638528
2.27742
1.889442
other
Sr1Co2N2
5
164
60.01
mp-1069558
1.880152
1.57838
1.374964
other
Ce2Se1N2
5
164
93.33
mp-755297
9.465672
12.78432
0.011002
other
Li2Co1O2
5
164
44.12
mp-29415
1.00709
1.951556
-5.410496
other
Cd6P2Cl6
14
164
367.48
mp-1224378
-5.538063
-3.669927
-2.071023
other
Ge1Sb4Te4
9
164
282.55
mp-1541714
1.618904
2.672922
-5.709408
other
Cs3As2Cl9
14
164
434.59
mp-31516
9.992129
10.356154
-3.457211
other
Co2Re4O16
22
164
353.01
mp-1018637
-4.458766
-1.494973
-5.745084
other
Tb1Cu2S2
5
164
86.27
mp-29394
0.443263
0.964404
-3.387896
other
Gd2C1Cl2
5
164
115.83
mp-4226
-5.365889
-0.242209
-5.761306
other
Li1Cr1S2
4
164
63.14
mp-1247409
0.599549
2.49559
1.734837
other
Co2Pb1N2
5
164
65.25
mp-7429
-5.490565
-5.702144
0.53561
other
Ca1Zn2Sb2
5
164
127.98
mp-13946
8.350291
1.118309
1.37582
other
Rb2Zr1F6
9
164
154.01
mp-1018766
-5.160417
-4.795549
0.649123
other
Li3La1As2
6
164
115.1
mp-1028663
-6.541233
2.296051
-5.66096
other
W4Se4S4
12
164
338.38
mp-1206650
-5.951461
-3.485847
-1.774858
other
Er1Cu1Te2
4
164
102.94
mp-1217770
-4.074356
-0.11208
-3.670078
other
Ta2Ag1S4
7
164
138.68
mp-1216054
-2.817198
-3.668172
-4.163501
other
Y3Ge1S2
6
164
137.04
mp-863260
-4.925644
-5.23793
0.347468
other
Sr1Mg2As2
5
164
125.26
mp-1220723
-3.903893
-4.191057
-3.669029
other
Na1La2Se3
6
164
170.44