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-999461
-4.187698
-4.220704
-3.849133
other
Na1Pr1Se2
4
166
111.14
mp-1216719
-4.919756
-3.958642
0.370198
other
U2Te1Se1
4
166
105.59
mp-1221147
1.164963
1.824874
-5.307227
other
Na5Br1Cl4
10
166
227.82
mp-1096947
9.303924
13.067024
0.826394
other
Dy1Mn2O4
7
166
94.07
mp-33461
7.644712
15.05885
-1.076767
other
Li3Mn3O8
14
166
141.74
mp-1219173
-3.028529
-3.696069
-3.760092
other
Sm4Eu1S5
10
166
230.94
mp-8291
8.769177
1.487949
1.129489
other
Ba1Ti1F6
8
166
114.79
mp-1224334
-3.245106
-0.075067
2.794689
other
Hf1Nb1C2
4
166
47.5
mp-1215685
8.622938
12.120315
-0.610697
other
Zn4Ni4O8
16
166
156.18
mp-541187
1.815636
1.919194
2.057826
other
Al8C3N4
15
166
167.85
mp-1018096
1.676921
1.905812
0.938712
other
Ba2N1F1
4
166
93.5
mp-753061
6.55316
13.220979
-2.47188
other
Ti2Co6O16
24
166
292.94
mp-1216711
-4.573768
-0.042547
2.950225
other
Ti1Mo1C2
4
166
41.12
mp-13696
7.511624
9.657619
0.467083
other
Eu1Cu1O2
4
166
66.1
mp-9479
-4.844342
-3.182431
-4.056168
other
Mg1Al2Se4
7
166
182.84
mp-1246947
0.516868
2.549083
1.789642
other
In1Co2N2
5
166
65.01
mp-1217107
0.724549
1.60945
2.699044
other
Ti4C1N3
8
166
77.49
mp-16765
-5.195686
-2.421879
-1.280207
other
Zr2Te2P1
5
166
130.26
mp-1219713
-6.159923
-4.949027
1.710604
other
Pr1Nd1Sb2
4
166
133.03
mp-1001611
-4.309019
-4.033925
-3.893276
other
Lu1Tl1Se2
4
166
111.51
mp-1217919
-4.322176
-0.070004
2.991101
other
Ta1Mo1C2
4
166
43.45
mp-1215576
-3.055212
-3.734461
-3.739876
other
Yb1Sm4S5
10
166
226.96
mp-999450
-4.216604
-4.229269
-3.815172
other
Na1Sm1Se2
4
166
106.49
mp-13694
9.402803
8.926764
2.470163
original
Pr1Cu1O2
4
166
70.48
mp-5134
-9.090681
-1.430226
2.824834
other
La1Mg2Ni9
12
166
160.55
mp-752879
12.742524
11.742452
1.539658
other
Li3Ti4O8
15
166
150.12
mp-1220365
-3.735183
-0.231422
2.805377
other
Nb1V1C2
4
166
41.31
mp-1222713
-3.073534
-3.649375
-2.999093
other
La1U1S2
4
166
94.6
mp-756480
6.611627
13.1413
-1.290628
other
Li3Fe4O8
15
166
152.58
mp-777562
10.167438
0.998383
1.598984
other
Li10Mn3F16
29
166
308.49
mp-27910
-5.910835
-3.59573
-2.031142
other
Bi2Te2S1
5
166
165.18
mp-542178
-9.124022
-6.14406
4.137129
other
Nd2Zn15Ge2
19
166
324.58
mp-1388646
8.268358
13.410079
-1.04289
other
Zn2Fe4O8
14
166
152.66
mp-754852
-1.223564
1.936213
-1.625078
other
Ba1Sr1I4
6
166
279.42
mp-1222707
2.351077
1.741004
1.823592
other
La1Th1N2
4
166
71.61
mp-1178133
9.627872
8.336748
3.060679
other
K1Sm1O2
4
166
68.29
mp-1104580
-4.153599
1.685938
3.271511
other
Y4Fe3B6
13
166
181.29
mp-1077251
-8.277529
-2.799003
4.590704
other
Er2Si1Rh3
6
166
101.16
mp-555263
13.12051
12.070743
-0.123296
other
Al2V4O8
14
166
142.15
mp-12317
4.705544
1.9175
-2.407495
other
Sr1C1N2
4
166
69.05
mp-7015
-3.058003
-2.484267
-5.110513
other
Cs1Ce1S2
4
166
128.49
mp-1174225
3.973007
19.230759
-1.802087
other
Li5Co3O8
16
166
144.19
mp-1224286
0.557849
1.308078
2.810587
other
Hf1Ti1N2
4
166
42.37
mp-7113
-5.482201
-0.487678
-5.631301
other
Cr1Au1S2
4
166
77.2
mp-1106126
-7.665429
0.864633
5.113401
other
Nd2Ga2Fe15
19
166
264.61
mp-999460
-2.635437
-2.634723
-5.688587
other
Na1Sc1S2
4
166
80.2
mp-578611
6.275796
12.89192
-1.261905
other
Na1Ni1O2
4
166
38.85
mp-1216051
9.554972
9.427376
2.882496
other
Y7Re1O14
22
166
313.6
mp-1215484
-5.958818
-1.522382
3.934265
other
Zr2Co1Mo3
6
166
104.6
mp-1191671
-7.661963
1.010638
4.685055
other
Er2Fe17C3
22
166
267.11
mp-1386933
-3.945196
-0.24162
-4.540666
other
Ca1Ti4S8
13
166
275.24
mp-9361
-2.796931
-2.523759
-5.580238
other
Rb1La1S2
4
166
123.41
mp-2218895
5.879468
12.592141
-1.572891
other
Mg1Ni4O8
13
166
137.02
mp-1222155
16.375355
9.762767
5.285676
other
Mg12Fe4O16
32
166
316.27
mp-1096971
11.331724
8.211842
-1.128397
other
Ga1Ag1O2
4
166
48.16
mp-1104452
-4.209738
1.917447
3.103923
other
Ce4Fe3B6
13
166
172.92
mp-1105883
-6.865549
-4.223722
6.402969
other
Tb4Hf1Al15
20
166
380.77
mp-1222159
16.418789
9.738194
5.478086
other
Mg8Fe2O10
20
166
187.15
mp-562649
7.067979
13.378181
-1.545432
other
Ba3Co10O17
30
166
344.17
mp-15797
-4.266482
-4.257477
-3.863748
other
Li1Er1Se2
4
166
90.01
mp-1072114
8.694469
2.000082
2.408413
other
Ho2O2F2
6
166
76.91
mp-5175
9.936833
8.964723
0.324687
other
Na1In1O2
4
166
49.51
mp-8176
7.934544
8.553554
-0.460878
original
Rb1Tl1O2
4
166
67.44
mp-754623
6.640121
13.42439
-2.414038
other
Cr1Co3O8
12
166
132.95
mp-16830
-8.793155
-0.185736
2.425082
other
Sr1Ni12B6
19
166
192.66
mp-28638
-0.24535
0.62525
-2.678419
other
Gd2C1Cl1
4
166
81.18
mp-6978
9.70264
8.400644
3.007247
other
Rb1Ho1O2
4
166
67.28
mp-1103928
-8.559816
-6.28057
2.738738
other
Yb4Sn4Au6
14
166
319.91
mp-15794
-4.264115
-4.18878
-3.852513
other
Li1Y1Se2
4
166
92.1
mp-1078240
-6.082062
-2.345721
4.117394
other
Si6Ni3Au1
10
166
136.55
mp-37995
10.719176
12.441074
2.096772
other
Ti3Zn2O8
13
166
150.16
mp-1104018
-3.743415
1.518049
2.925738
other
Nd5Mn2B6
13
166
212.04
mp-1217816
2.780813
-0.414966
-1.637879
other
Ta1V1H4
6
166
42.42
mp-757021
9.451169
8.326747
2.825363
other
K1Gd1O2
4
166
66.48
mp-1215482
-3.261181
-2.194566
-5.365345
other
Yb1Ag1S2
4
166
83.31
mp-35690
7.769969
13.183789
-1.578945
other
Co5Ru1O8
14
166
136.59
mp-1217710
-8.531943
-0.253991
5.272297
other
Tb2Fe1Co3
6
166
93.84
mp-9274
-5.277048
-6.048564
0.6253
other
Rb3Sb2Au3
8
166
269.96
mp-1223215
-7.003515
-4.945364
6.243804
other
La2Mg1Al3
6
166
140.68
mp-559246
9.284807
1.008519
0.346965
other
Ba1Cr1F6
8
166
110.91
mp-1217695
-7.822842
-9.160436
6.367986
other
Tb2Mg5Ag1
8
166
185.99
mp-541911
1.832471
1.924414
2.560074
other
Hf2N2Cl2
6
166
104.79
mp-1247747
-5.230586
0.173061
-5.395713
other
Ta1Cr3S8
12
166
226.85
mp-3487
13.171598
5.426147
-6.269831
other
Ca3P2O8
13
166
146.74
mp-7045
-2.761205
-2.556563
-5.715633
other
Rb1Gd1S2
4
166
112.32
mp-1247096
0.460424
2.663946
1.652809
other
Co1Pd2N2
5
166
56.85
mp-9081
-2.985211
-2.535341
-5.617885
other
Cs1Nd1S2
4
166
125.86
mp-1219740
1.642641
1.48341
2.439514
other
Pr1U1N2
4
166
63.73
mp-1411153
-5.366928
-0.067703
-5.662899
other
Mg1Cr4S8
13
166
239.35
mp-14437
9.599632
8.431136
2.83204
other
Rb1Y1O2
4
166
68.32
mp-9090
-3.379105
-2.118097
-5.098066
other
Cs1Yb1S2
4
166
123.15
mp-1044229
12.955894
10.453344
0.055472
other
Zn1W4O8
13
166
180.08
mp-1216687
2.82809
-0.400954
-1.680099
other
Ti1V1H4
6
166
39.82
mp-1247752
-5.279074
-0.110804
-5.619467
other
Cr3Sn1S8
12
166
241.48
mp-15652
-7.516961
-2.717679
2.339149
other
Rh3Pb2S2
7
166
133.6
mp-1221707
-6.680314
-1.01208
4.162965
other
Mn9Al4V3
16
166
196.11
mp-754781
11.852425
8.595052
0.016374
original
Ga6N2O6
14
166
148.63
mp-1227743
7.43883
11.019921
-0.297906
other
Ca3Ru4O14
21
166
271.18
mp-1222296
-2.701234
-2.693573
-5.669625
other
Li1Sm1S2
4
166
85.47
mp-541806
10.79327
11.818765
2.938385
other
Rb4Nb11O30
45
166
739