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-1225677
-8.956362
-5.125504
2.733559
other
Cu1Au1
2
166
30.7
mp-18063
-6.666373
-6.356357
2.705816
original
Sr4Sn12
16
166
478.05
mp-1009653
-1.034947
0.718119
1.004386
other
Ca1C2
3
166
44.1
mp-1104334
-6.323895
-1.518134
3.749563
other
Nb7Co6
13
166
186.7
mp-1120770
1.475501
2.404273
-5.472941
other
Tl2Cl3
5
166
164.29
mp-567306
-6.25989
-6.374482
3.954971
other
Li6Ga14
20
166
349.25
mp-1226746
-8.136123
-3.09275
2.61851
other
Cd1Pt3
4
166
66.28
mp-1103465
-5.105196
-1.340691
4.674213
other
Ti3Be9
12
166
123.06
mp-570964
-1.061013
2.4268
-2.974131
other
Zn1I2
3
166
104.17
mp-1183535
1.850051
2.869694
-4.262695
other
Br2Cl3
5
166
221.81
mp-7229
-4.972072
0.947373
3.233063
other
B5Mo2
7
166
59.1
mp-1101882
-8.654204
-2.598432
4.031537
other
Nd3Ir9
12
166
218.94
mp-1189958
-6.933275
-4.34141
6.483365
other
Tb5Al15
20
166
384.34
mp-644311
-8.443515
-2.861909
2.909508
other
Cu1Pt1
2
166
27.29
mp-1219177
-7.417092
-6.616353
6.847919
other
Sm2C1
3
166
74.8
mp-1222403
-8.190648
-6.368459
2.49683
other
Li1Au1
2
166
32.26
mp-1219657
-5.663389
-4.74885
4.022128
other
Pu1Th1
2
166
59.11
mp-31100
-8.549103
-2.640698
4.092218
other
Ce3Ir9
12
166
214.29
mp-1442954
-5.509673
-0.003057
-5.474914
other
Cr4S8
12
166
211.98
mp-1221429
-8.108532
-3.525796
2.456564
other
Mo1Pd3
4
166
60.15
mp-504594
-0.009972
0.651041
-2.934695
other
Zr2Br2
4
166
104.06
mp-640058
-0.932006
2.363973
-3.099063
other
Pb3I6
9
166
423
mp-1105997
-9.269981
-1.336539
2.797059
other
Ca4Ni14
18
166
257.56
mp-25571
12.915244
11.078093
-0.955463
other
Mo1O2
3
166
42.04
mp-27484
9.73592
8.716409
-0.392927
other
Tl4O2
6
166
142.54
mp-1224812
-8.171848
-0.635874
3.709941
other
Ga1Co4
5
166
58.12
mp-559400
8.906828
1.075187
1.3324
other
Be12F24
36
166
707.37
mp-1104548
-6.342084
-1.471367
3.79272
other
Ta7Co6
13
166
185.3
mp-1222022
-8.026582
-6.768486
2.200476
other
Mg1Ag3
4
166
74.35
mp-865373
-7.762646
-4.386699
6.19875
other
Y2Co2
4
166
91.55
mp-574339
-9.307919
-1.386841
2.896685
other
Y4Ni14
18
166
254.14
mp-9897
-5.631624
-3.458698
-1.625369
other
Te24As16
40
166
1,172.01
mp-9889
-4.009061
-1.379324
-6.001168
other
Ga2S2
4
166
89.85
mp-2425174
-6.44109
-3.308572
3.317933
other
Pu2Ru4
6
166
101.13
mp-27705
-4.087991
-5.304452
5.399075
other
Li4Si2
6
166
100.12
mp-35925
5.951183
12.130239
-1.525668
other
Ni1O2
3
166
47.5
mp-1094363
-7.567467
-8.353338
6.720137
other
Y1Mg1
2
166
57.69
mp-1224967
-7.697774
-1.150728
3.561659
other
Fe1Ir1
2
166
27.17
mp-1226221
-8.784491
-5.333576
2.348316
other
Cr1Au1
2
166
33.11
mp-1094479
-5.449664
-3.970925
3.938061
other
Mg1Zr1
2
166
45
mp-1223945
-8.47229
-6.084641
1.975317
original
Hg1Au4
5
166
92.63
mp-1040468
-4.056979
-4.834992
5.7076
other
Si6H2
8
166
149.66
mp-1188908
-9.26282
-1.3731
2.766804
other
La4Ni14
18
166
268.56
mp-1189402
-5.143202
-1.320261
4.731161
other
Ta2Be17
19
166
167.11
mp-1227257
-0.419283
0.556398
0.119033
other
Ca1C2
3
166
51.78
mp-1078164
-5.046028
-6.830937
3.97549
other
Ba3Sc4
7
166
252.88
mp-22881
1.320044
2.305315
-5.444148
original
Cd1Cl2
3
166
78.67
mp-1226164
-7.732471
-2.306026
2.868366
other
Cr1Pt1
2
166
27.62
mp-11693
-6.19492
-2.884088
-0.839057
other
Te2Pt2
4
166
94.67
mp-1220057
-8.446469
-2.905388
2.228365
other
Ni1Pd1
2
166
26.34
mp-569509
-8.752936
-0.274204
4.834274
other
Er4Co14
18
166
253.87
mp-1217298
-6.054659
-5.810058
5.94321
other
Th5C1
6
166
169.18
mp-1101053
-8.886837
-0.239069
4.832413
other
Sm3Co9
12
166
181.17
mp-1189949
-8.726212
-0.281272
4.818271
other
Lu4Co14
18
166
249.14
mp-1224977
-9.59156
-4.27319
3.709493
other
Fe1Cu4
5
166
59.09
mp-467
2.1672
1.790107
1.857589
original
Th3N4
7
166
119.06
mp-12826
-5.444707
-4.78932
-0.252939
other
Sb8Te3
11
166
358.19
mp-1225701
-8.725735
-4.466985
2.547255
other
Cu1Pd1
2
166
26.82
mp-1095497
-8.569439
-2.623678
4.039202
other
Y3Ir9
12
166
211.5
mp-1180271
7.957057
5.485765
-4.050291
other
Mg1O2
3
166
31.17
mp-1238872
1.631257
2.397925
-5.318733
other
Cu1Cl2
3
166
71.33
mp-568342
0.837689
1.045712
-3.526886
other
Tb2Cl2
4
166
117.25
mp-1103088
-6.989672
-4.482992
6.472593
other
Dy3Al9
12
166
230.4
mp-1102167
-9.286796
-1.353552
2.802547
other
Ca3Ni9
12
166
171.56
mp-2686
1.836347
1.090074
1.529866
other
Ca2N1
3
166
72.26
mp-1226523
-6.161864
-6.036888
6.033677
other
Ce1Th1
2
166
58.93
mp-774295
9.500056
13.064748
-0.990994
other
Fe23O32
55
166
576.6
mp-1190284
-4.648778
-3.11865
-3.619889
other
Bi8Se9
17
166
524.59
mp-1080281
-4.225555
-4.552291
-3.375858
other
Ce1Se2
3
166
147.22
mp-25274
11.16963
10.75396
-3.180175
other
Mo3O8
11
166
159.56
mp-1191011
-9.27436
-1.472957
2.827182
other
Pr5Ni19
24
166
354.28
mp-1102054
-9.344384
-1.465929
2.87815
other
Tb3Ni9
12
166
172.66
mp-1224883
-8.524652
-3.98931
2.151234
other
Fe1Pd3
4
166
59.02
mp-27410
-3.610752
-4.235703
0.552316
other
Sn4P3
7
166
163.45
mp-1220515
-3.710173
-0.414348
2.777802
other
Nb4C3
7
166
88.93
mp-1080863
-4.269539
-4.983298
-3.421284
other
Ce12Se24
36
166
3,828.75
mp-1413688
-5.440729
0.263946
-5.416545
other
Cr1S2
3
166
62.55
mp-1420871
11.837442
13.85979
-2.169604
other
V1O2
3
166
53.74
mp-29617
-6.086972
-2.253745
1.835016
other
V6Sb4
10
166
177.84
mp-1224956
-7.478348
-1.756319
3.050183
other
Fe1Ag1
2
166
30.49
mp-1220332
-6.044735
-2.770993
3.475458
other
Nb1Pd1
2
166
33.59
mp-1219734
-8.155363
-2.200772
3.012191
other
Pt1Rh1
2
166
29.11
mp-1215848
-6.298815
-6.930058
4.566896
other
Yb2C1
3
166
72.62
mp-1190965
-8.788159
-0.340502
4.903523
other
Pr5Co19
24
166
358.92
mp-1182452
-6.723125
-1.258495
4.18906
other
Cr13Ga13
26
166
365.83
mp-1218179
-6.442284
-1.342046
3.84236
other
Ta13Co13
26
166
358.54
mp-865205
-9.28918
-1.319585
2.89511
other
Dy4Ni14
18
166
241.7
mp-1190346
-8.867045
-2.496187
3.871612
other
La4Rh14
18
166
328.67
mp-1220038
-7.926126
-2.514888
2.697018
other
Os1Pt3
4
166
61.36
mp-568390
-5.87223
-3.706453
-1.859457
other
Bi2Te3
5
166
170.33
mp-1229092
-8.345465
-6.153116
1.91918
other
Ag1Au1
2
166
34.82
mp-7541
-3.346812
-3.89983
0.599391
other
Sn2P6
8
166
170.26
mp-640862
-5.576199
-5.143293
0.205907
other
Sb16Te3
19
166
614.18
mp-1207019
7.005879
6.417607
-2.69691
other
Br1O1
2
166
29.85
mp-30558
-8.759307
-0.344292
4.900076
other
Ho3Co9
12
166
172.57
mp-1225448
-6.416488
-6.138077
6.215645
other
Er1Th1
2
166
62.31
mp-1070116
-5.905693
-3.234723
-2.13023
other
Ga2Te3
5
166
137.17
mp-28105
-5.645617
-1.123925
-3.884814
other
Ni17S18
35
166
474.06
mp-2588
-8.756549
-0.364207
4.871441
other
Y3Co9
12
166
175.52
mp-1100319
7.849643
12.396313
-0.942999
other
Ni15O16
31
166
296.74