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-1225510
10.77244
8.88222
3.152664
other
Dy1Pa1O4
6
123
76.91
mp-1232316
1.172032
2.343256
1.642645
other
Ti1Cu2N3
6
123
68.29
mp-1222678
0.829047
2.888721
-4.184358
other
Li2Br1O1
4
123
62.86
mp-1222279
-2.652267
-2.641929
-5.787434
other
Li1Ho1S2
4
123
80.68
mp-1227698
-6.055351
-7.18377
3.599922
other
Ca2Tl1In1
4
123
114.74
mp-1227313
-7.575984
-4.403614
1.119862
other
Bi1Pd6Pb1
8
123
137
mp-11100
-8.004699
-5.406474
3.811176
other
Yb1In5Rh1
7
123
165.97
mp-1217096
-6.750756
-1.291518
4.298032
other
Ti2Fe1Cu1
4
123
54.85
mp-1206209
-8.04534
-5.597015
4.363296
other
Tb1In5Co1
7
123
154.32
mp-1412163
5.459055
10.767986
-1.529879
other
Ba2Fe3O8
13
123
185.19
mp-1078462
-6.194945
-7.370352
3.931334
other
Ba1Mg4Ge3
8
123
187.55
mp-1222993
-8.457953
-4.702096
2.604777
other
La1Eu1Pd6
8
123
158.49
mp-1025383
-7.711526
-3.299575
2.29913
other
Tl1P1Pt5
7
123
113.07
mp-1222291
-6.408727
-6.545197
3.075423
other
Li1Si1Ag2
4
123
63.22
mp-1228426
-8.075336
-2.164346
2.75931
other
Al2Ni1Pt1
4
123
53.81
mp-2217078
12.395
10.981864
-1.281219
other
Mg1W2O6
9
123
121.48
mp-1207456
-4.793914
-4.653343
3.904163
other
Zr2P1S2
5
123
119.97
mp-1221985
-7.982144
-6.842891
2.341924
other
Mg1Cd1Ag2
4
123
73.51
mp-1217820
0.281097
1.813131
2.450005
other
Ta1V1N2
4
123
39.96
mp-1226536
-2.173208
0.487213
2.390361
other
Ce1Nd1C4
6
123
92.9
mp-1207294
-3.51055
-6.395608
1.381683
other
Pr2P3Rh3
8
123
170.21
mp-10092
-5.443756
-2.917175
-4.367175
other
K1Cu4Se3
8
123
158.5
mp-1213181
-2.521764
-8.154212
1.392087
other
Eu2As3Pt3
8
123
868.15
mp-1206904
-6.823812
-6.218421
6.166971
other
Nd2Ti1Ge2
5
123
132.84
mp-1221549
-8.281219
-4.050843
2.044018
other
Mn1Sn1Pd2
4
123
67.84
mp-1211623
-3.010387
-8.286562
1.658688
other
Sr2Mn1Sn2
5
123
2,074.93
mp-1209898
-2.973101
-8.18211
1.381603
other
Pr2Cu1Sb3
6
123
2,505.86
mp-1207318
-7.037006
-3.62718
3.655895
other
U2Ge3Rh3
8
123
155.3
mp-1218188
-3.523635
1.821274
2.98135
other
Sr1La1B12
14
123
144.83
mp-1215524
-8.66195
-5.986424
2.272062
other
Zn1Cd1Au2
4
123
68.99
mp-1191665
-8.044502
-4.059433
5.438407
other
Tb4Ga16Co3
23
123
392.97
mp-1221099
-6.038867
-3.679931
-1.98405
other
Na1Bi1Te2
4
123
129.76
mp-1206939
-3.218166
-7.862106
1.484631
other
Na2Mg2As1
5
123
620.01
mp-1225533
-8.32858
-5.889237
5.723859
other
Er2Ga1Cu1
4
123
85.9
mp-1206876
1.062246
1.694289
-3.722034
other
Sr2Cl2F1
5
123
431.56
mp-1216644
13.154303
12.116076
-0.06557
other
V2N1O1
4
123
41.92
mp-1228912
-8.518073
-4.311635
2.399246
other
Al1Cu1Pd2
4
123
55.88
mp-20972
-7.891986
-5.608824
3.876575
other
Yb1In5Co1
7
123
160.33
mp-1222320
-4.80227
-2.932786
-3.919297
other
Li1In1Se2
4
123
88.14
mp-1206596
1.060783
1.555981
-3.612447
other
Ca2Cl2F1
5
123
342.85
mp-1224257
0.58634
1.323199
2.818441
other
Hf1Ti1N2
4
123
43.12
mp-1102259
-7.86661
-4.361318
5.761291
other
Dy2Ga8Fe1
11
123
202.98
mp-1226710
-8.370392
-6.707044
5.17348
other
Ce1Y4Zn5
10
123
234.86
mp-1215906
-2.181555
0.439716
2.431307
other
Y1Ho1C4
6
123
83.25
mp-1207304
-2.786083
-7.844132
1.429812
other
Lu2Cu1As3
6
123
4,930.24
mp-1211024
-4.230342
-5.687063
0.785311
other
Li2Be1As2
5
123
107.52
mp-1224308
-3.997739
0.052299
2.844213
other
Hf1Mo1C2
4
123
45.68
mp-1181591
1.382331
2.296379
0.749289
other
Cu11Pd1N4
16
123
208.31
mp-1220712
-2.628492
-2.61879
-5.614572
other
Na1La1S2
4
123
99.86
mp-1022488
-7.233943
-10.27914
6.42604
other
Na1Mg6Zr1
8
123
189.78
mp-1205894
-4.9097
-4.534588
5.784186
other
Nd2Si3Ir3
8
123
165.37
mp-760382
11.422647
8.590275
2.320052
other
Th1U1O4
6
123
84.81
mp-1247881
-2.750491
-8.157118
1.845651
other
Ba1Cu6P2
9
123
6,819.28
mp-1217087
-5.923442
-1.868361
4.563825
other
Ti2Al1Cr1
4
123
59.89
mp-1214688
0.943934
1.276577
-3.389189
other
Ba2H1Br2
5
123
597.1
mp-1147640
7.504133
6.442442
-2.832174
other
K1I1O2
4
123
76.2
mp-1207293
-5.221678
-3.890434
1.848318
other
U2Cl2O1
5
123
140.73
mp-1227227
2.055359
1.69618
1.673096
other
Ca1Ce1N2
4
123
61.58
mp-1213264
-5.79737
-3.672459
-1.403248
other
Cs2Nd2Te8
12
123
810.07
mp-975144
-4.887386
-4.971124
0.158531
other
Rb1Zn4As3
8
123
179.44
mp-978596
9.71226
9.981872
1.009797
other
Sm2Au2O5
9
123
126.72
mp-1225771
-8.714333
-5.17021
2.474386
other
Cu3Pd1Au4
8
123
119.68
mp-1216005
-7.42068
-5.883397
3.414777
other
Y1Ag1Sn2
4
123
94.05
mp-1226772
-5.421023
-3.95203
-0.184347
other
Ce2Sb1Te1
4
123
134.89
mp-1207315
-2.98894
-7.968901
0.838934
other
Ce2Sb4Pd2
8
123
580.43
mp-1220315
2.802014
-0.442117
-1.655062
other
Nb1V1H4
6
123
42.88
mp-1065359
-7.844004
-1.062943
2.951973
other
Ga1Fe1Ni2
4
123
47.52
mp-1078155
-7.806686
-3.180056
2.309979
other
Sn1P1Pt5
7
123
114.33
mp-1147759
1.781792
1.930629
1.839733
other
Th1Cu1N2
4
123
52.78
mp-1207286
1.120471
1.450414
-3.627087
other
Tb2Cl2O1
5
123
222.25
mp-1098241
-7.941785
-11.273375
6.154826
other
Na1Mg6Mo1
8
123
171.66
mp-1221740
-8.320625
-1.25402
2.619204
other
Mn1Al1Ni6
8
123
88.08
mp-1025187
-7.789021
-3.341919
2.406083
other
Cd1P1Pt5
7
123
110.39
mp-1216532
-6.005073
-3.746783
-2.10609
other
Tl1Bi1Te2
4
123
136.71
mp-1221568
-7.691432
-2.516843
2.529414
other
Mn1Sb1Rh2
4
123
62.27
mp-1018097
9.206805
8.549738
2.039399
other
Ba1Ca1O2
4
123
75.06
mp-35915
6.717463
9.037148
-0.812495
other
Ba1Bi2O5
8
123
167.08
mp-1224860
-8.114388
-1.58755
2.534258
other
Ga1Ni6Ge1
8
123
88.3
mp-1207412
4.229781
1.610567
0.503184
other
Zr2S2O1
5
123
118.99
mp-1224702
-7.992462
-1.155031
3.182562
other
Fe2Pt1Rh1
4
123
51.22
mp-1021423
-7.00999
-10.792849
6.464132
other
K1Mg6Ti1
8
123
204.18
mp-34380
10.481412
10.216558
3.183846
other
Ho1Ta1O4
6
123
67.81
mp-1218714
-2.809284
-2.527367
-5.447431
other
Sr2Sm1S3
6
123
240.65
mp-1217888
11.045624
11.342348
1.908915
other
Ta1O2F1
4
123
62.15
mp-1221659
-7.502917
-1.581236
2.940179
other
Mn1Fe1Pt2
4
123
52.74
mp-1207168
-3.963948
-2.875846
-3.330111
other
Tl2Cu1Se2
5
123
277.34
mp-1215314
-8.648566
-4.459328
4.131809
other
Zr1Al1Cu2
4
123
61.35
mp-13463
-7.886893
-1.601255
2.960945
other
Fe1Ni1Pt2
4
123
54.17
mp-1228840
-7.948811
-1.642471
2.851774
original
Al1V1Ni2
4
123
48.08
mp-1186702
10.210334
8.624791
2.897029
other
Pr2Y2O5
9
123
165.16
mp-1218431
5.893788
8.577557
-0.317784
other
Sr5Bi3O12
20
123
333.62
mp-19865
-4.489904
-5.160422
6.057352
other
Ce1Mg2Si2
5
123
104.67
mp-1228816
-6.969788
-0.106025
3.886423
other
Al1V1Fe2
4
123
47.02
mp-1224787
-6.171455
-3.030231
-2.364644
other
Ga1Cu1Te2
4
123
92.09
mp-1224947
-7.825987
-2.100828
2.862193
other
Fe1Ni1Pt6
8
123
115.99
mp-1225692
0.375195
1.84153
-4.915246
other
Cu4Br1Cl3
8
123
139.74
mp-1224457
-8.921055
-1.439324
2.689314
other
In2Ni7B1
10
123
138.97
mp-985828
-4.012655
-1.840878
-5.327167
other
Ag1Bi1S2
4
123
90.46
mp-29889
1.550679
2.59256
-5.495039
other
Tl2Pd1Cl4
7
123
216.06
mp-1147690
5.880756
11.515639
-1.880945
other
Ni1O1F1
3
123
32.04