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-1220631
-3.974967
-0.350429
-3.150904
other
Nb3S4
7
164
124.59
mp-1038991
-6.15663
-10.438046
5.717007
other
Ca2Mg4
6
164
173.58
mp-1094684
-7.418272
-8.728965
6.23424
other
Ce2Mg4
6
164
144.24
mp-1066783
0.024345
0.579114
-3.020145
other
Zr2Br2
4
164
103.23
mp-23205
-1.140531
2.320206
-2.842252
other
Mg1I2
3
164
108.33
mp-1062310
-8.066014
-7.138467
4.435682
other
Lu1Cd2
3
164
71.91
mp-1216702
8.703424
2.59318
1.992276
other
U1F3
4
164
69.96
mp-1027692
-6.575581
1.449899
-3.989555
other
Mo4Se8
12
164
344.31
mp-1225746
1.396484
2.30925
0.885435
other
Cu3N1
4
164
43.15
mp-1070275
-6.572376
-1.688977
4.909904
other
Al3Tc2
5
164
84.16
mp-782
-6.080066
-2.546855
-1.41707
other
Te2Pd1
3
164
75.08
mp-13067
10.203988
8.321153
3.163203
other
Tm2O3
5
164
63.63
mp-1017564
7.391435
9.239931
0.160087
other
Eu2O3
5
164
72.34
mp-614006
12.914919
8.497411
-1.795144
other
B4O2
6
164
58.02
mp-680214
-4.538968
-3.176535
-3.636384
other
Bi24Se21
45
164
1,411.15
mp-1217984
-4.937859
-1.292186
3.486278
other
Ta3N1
4
164
59.91
mp-1025044
-8.162313
-1.741953
2.582798
other
Al2Ni4
6
164
67.07
mp-11107
9.847871
8.464621
3.177149
other
Ac2O3
5
164
91.51
mp-1094282
-5.970849
-10.233489
5.274647
other
Sr2Mg4
6
164
209.33
mp-1073325
-2.368596
-5.559953
7.19715
other
Mg1Si2
3
164
57.93
mp-1094401
-7.745551
-9.564766
6.880969
other
Y2Mg4
6
164
160.24
mp-1094858
-6.617704
-9.466059
4.86434
other
Mg2Ga2
4
164
81.07
mp-1207227
-6.192915
-5.923404
0.532947
other
Mg2Bi3
5
164
153.04
mp-32887
-5.501318
-2.713158
-1.566216
other
Hf1Te2
3
164
97.07
mp-1217189
-6.793766
-1.414318
4.609588
other
Ti5Mn7
12
164
175.99
mp-1226439
-8.072155
-1.101158
3.217302
other
Co2Pd1
3
164
38.08
mp-13064
10.053751
8.352448
3.313292
other
Dy2O3
5
164
67.25
mp-1952
-5.548113
-6.133995
4.219098
original
Ba7Al13
20
164
550.61
mp-569708
-7.826375
-2.71288
2.609728
other
Ti7Pt21
28
164
423.16
mp-7891
-4.956409
-5.035357
0.229913
other
Mg3As2
5
164
105.95
mp-1225515
-6.252917
-6.189464
6.235458
other
Dy1Th2
3
164
96.57
mp-1170
-3.897923
-1.195766
-5.686732
other
Sn1S2
3
164
72.83
mp-1220321
-7.696989
-2.778232
2.952381
other
Nb1Pt2
3
164
49.25
mp-1215431
-8.351235
-0.823574
3.821361
other
Zn1Co2
3
164
35.49
mp-1018107
-5.537459
-2.617989
-1.347176
other
Zr1Te2
3
164
97.24
mp-1221489
-5.090768
0.030038
3.107802
other
Mo6C4
10
164
118.53
mp-1094228
-6.793255
-10.342083
4.237171
other
Mg4Sn2
6
164
146.6
mp-1008673
-7.875142
-6.955289
4.506793
other
Tm1Cd2
3
164
81.02
mp-2194
-4.847933
-1.454865
-3.179075
other
Ti1Se2
3
164
69.54
mp-2721
11.465891
8.74371
2.235121
other
Ce2O3
5
164
76.51
mp-1008632
-4.92672
-0.124342
2.932902
other
V2C1
3
164
32.39
mp-27785
-0.14156
0.577946
-3.284113
other
Ti1Br2
3
164
83.81
mp-7716
-5.533168
-3.692331
-2.060217
other
Sb6Te6
12
164
400.97
mp-1039120
-5.866841
-9.455578
4.995194
other
Ca2Mg2
4
164
129.83
mp-1225705
3.19008
-0.775739
-2.186834
other
Cu2H2
4
164
32.72
mp-22116
-5.912783
-5.814954
3.756638
other
Eu1Ge2
3
164
70.58
mp-570081
-1.266117
2.552855
-3.249644
other
Cu2I2
4
164
110.41
mp-569916
-7.935108
-4.040668
3.679553
other
Al6Pt4
10
164
164.43
mp-1218120
-4.315417
-0.417441
3.104226
other
Ta12C8
20
164
255.99
mp-1207060
-1.050234
1.915821
-2.427765
other
Ti1I2
3
164
98.31
mp-567359
-1.207554
2.839962
-3.006337
other
Cd5I10
15
164
579.55
mp-29957
-5.351545
-2.433197
-0.956657
other
Zr15Te18
33
164
865.18
mp-7390
-5.76362
-5.859904
3.752116
other
Sr1Ge2
3
164
76.11
mp-1017550
2.328784
2.580686
1.48006
other
Be3N2
5
164
32.09
mp-29941
-2.667292
-0.397959
3.104587
other
Sc2C1
3
164
54.35
mp-1009654
-5.795678
-5.790188
3.706853
other
Ca1Ge2
3
164
69.07
mp-1023938
-8.863976
1.660212
-3.289493
other
Te4Mo2
6
164
272.38
mp-1018125
-6.147689
-2.005782
4.16459
other
Ti2Re1
3
164
46.98
mp-2318
-3.968541
-0.543332
2.8075
other
Nb2C1
3
164
42.88
mp-1206370
-5.550827
-5.837442
0.366609
other
Mg2Sb3
5
164
143.01
mp-510437
-8.438173
-5.233788
2.777149
other
In3Pd2
5
164
100.24
mp-567442
-1.208325
2.842576
-3.005351
other
Cd6I12
18
164
683.6
mp-30034
-0.150375
1.160532
-4.418319
other
Mg1Br2
3
164
82.5
mp-10228
-4.66316
-1.069231
-2.885297
other
Nb1Se2
3
164
69.99
mp-762
-4.435861
-1.417607
-4.314734
other
Pt1S2
3
164
61.04
mp-1063156
-7.783733
-6.82513
4.375235
other
Er1Cd2
3
164
82.81
mp-2076
-4.597957
-1.833024
-3.191892
other
Zr1Se2
3
164
80.5
mp-1115
-4.891953
-1.870415
-3.043066
original
Pt1Se2
3
164
69.65
mp-10196
0.701609
1.454785
2.721818
other
Ta2N1
3
164
40.87
mp-1968
9.628791
8.499504
2.97178
other
La2O3
5
164
81.78
mp-1094003
6.224425
9.113759
-2.269598
other
Zn1O2
3
164
34.45
mp-1061855
-8.086805
-7.999531
3.275613
other
Dy1Hg2
3
164
85.63
mp-547622
9.932201
8.475321
3.22075
other
Pm2O3
5
164
74.87
mp-13066
10.206933
8.369127
3.244734
other
Er2O3
5
164
64.83
mp-1062206
-7.707995
-6.885112
4.768615
other
Nd1Cd2
3
164
90.38
mp-1224697
-8.029054
0.246025
3.570688
other
Fe2Ni1
3
164
34.4
mp-11397
-8.081496
-2.116209
3.015166
other
Ga3Ni2
5
164
67.78
mp-622107
-7.723905
-6.516638
4.386716
other
Ce1Cd2
3
164
83.69
mp-7711
8.363692
9.026529
-1.302524
other
Ag2O1
3
164
44.67
mp-1238797
-5.050426
0.952392
-4.217475
other
Mo1S2
3
164
56.94
mp-21385
-8.223886
-3.078007
3.149426
other
In3Ni2
5
164
88.25
mp-8372
-3.976167
-5.160265
5.652291
other
Ca1Si2
3
164
64.26
mp-20470
9.717646
8.435585
3.043018
other
Gd2O3
5
164
70.96
mp-1221793
-0.076194
2.370948
2.048605
other
Mn2N1
3
164
30.41
mp-567259
-1.207465
2.838939
-3.00648
other
Cd1I2
3
164
116.46
mp-1039090
-6.243834
-6.099792
5.85078
other
Ce4Mg2
6
164
156.15
mp-1008910
-7.733914
-6.840072
4.428739
other
Lu1Cd2
3
164
80.71
mp-567296
-1.207529
2.840163
-3.006543
other
Cd3I6
9
164
347.99
mp-23250
1.95865
2.62885
-4.456654
other
U3Cl18
21
164
663.58
mp-1217121
-3.921291
-0.259957
-4.013024
other
Ti3S4
7
164
121.45
mp-1247784
-4.087445
-2.767499
-4.295677
other
Cs2Se1
3
164
173.91
mp-973
1.548455
1.43809
2.539858
original
U2N3
5
164
68.43
mp-1206157
-8.789926
-4.433999
4.069825
other
Cu7Si2
9
164
109.64
mp-1023942
-9.512115
1.971648
-4.036205
other
Te4W2
6
164
271.56
mp-1224826
-7.398356
-0.083843
3.923761
other
Ga1Fe2
3
164
38.64
mp-1218185
-7.198245
-0.565185
3.923408
other
Ta6Co18
24
164
295.97
mp-1216509
-4.86427
-0.038698
2.959172
other
V12C8
20
164
208.46
mp-13063
9.975374
8.360902
3.283231
original
Tb2O3
5
164
68.48
mp-1214397
-5.838778
-3.893596
-1.860609
other
Bi24Te21
45
164
1,619.07
mp-23178
1.986695
2.866166
-4.468976
other
W3Cl18
21
164
581.06