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-1096940
13.83946
6.026229
-2.292476
other
Cu1B1O2
4
166
30.94
mp-1217291
-5.50227
-3.568633
-2.608077
other
Te1Pb2Se1
4
166
128.3
mp-999448
-4.208956
-4.220343
-3.828447
other
Na1Y1Se2
4
166
101.94
mp-1008511
-8.42841
-5.551747
4.031888
other
Ba1Ga1Cu2
4
166
90.37
mp-1188842
-7.963067
0.653182
3.725605
other
Tb1Co12B6
19
166
185.26
mp-1205300
-7.907935
0.631071
3.716985
other
Tm1Co12B6
19
166
184.07
mp-1105066
-3.729798
1.560585
2.850749
other
Pr4Co3B6
13
166
192.27
mp-1215435
0.943344
1.415233
2.748013
other
Zr2B1N1
4
166
53.34
mp-1188725
-7.675436
0.896283
5.07549
other
Y2Ga2Fe15
19
166
257.78
mp-1191346
-7.627976
1.039057
4.778286
other
Gd2Fe17C3
22
166
270.34
mp-1106274
-8.059157
0.665993
3.758379
other
La1Co12B6
19
166
189.47
mp-999139
-3.793855
-0.28016
-3.884341
other
Ta1Hg1S2
4
166
95.93
mp-1217826
-4.261509
-0.036504
2.986017
other
Ta1W1C2
4
166
43.66
mp-9082
-2.989325
-2.565949
-5.607433
other
Cs1Sm1S2
4
166
122.22
mp-999129
-2.681835
-2.633114
-5.682848
other
K1Tb1S2
4
166
104.21
mp-999132
-5.975069
-3.877415
-1.774222
other
Sm1Tl1Te2
4
166
144.37
mp-771777
7.561851
16.617823
-0.691581
other
Li4Mn3O8
15
166
145.72
mp-1395990
-4.726373
0.247345
-4.832074
other
V4Zn1S8
13
166
235
mp-1245913
2.176693
2.048733
1.354109
other
Mg1In2N2
5
166
75.1
mp-1223311
1.238975
2.488315
-5.746651
other
K1Rb1Cl2
4
166
134.31
mp-1395180
-5.210497
-0.770962
-5.105749
other
Ca1Mn4S8
13
166
280.68
mp-1093997
-4.20392
-1.427011
-6.023388
other
Zn2Ga2S5
9
166
178.45
mp-2225849
11.48949
12.774631
-0.118972
other
Mg1Cr2O4
7
166
76.6
mp-1393946
-5.381653
-0.124565
-5.724658
other
Ca1Cr4S8
13
166
268.75
mp-1086664
-5.039476
-5.313385
0.339003
other
Rb1Cd4As3
8
166
226.38
mp-27999
-4.805125
-6.220452
0.620695
other
K5Cu1Sb2
8
166
287.01
mp-754894
8.679125
15.184933
-0.586758
other
Li3Mn4O8
15
166
154.87
mp-1066791
-2.741568
-2.660104
-5.783982
other
Tm1Tl1S2
4
166
101.47
mp-1216389
0.150981
2.124785
2.299358
other
V1Cr1N2
4
166
35.63
mp-755581
11.21384
8.828073
2.319339
other
Na1Ce1O2
4
166
62.17
mp-1216057
-7.86523
-1.753047
4.93171
other
Y2Ni1Ru3
6
166
102.22
mp-1215188
0.792529
1.412224
2.781778
other
Zr1Ti1N2
4
166
43.92
mp-1106200
-8.522454
-0.320799
4.519218
other
Ce2Ga2Co15
19
166
251.47
mp-1247477
2.028173
2.290867
1.341842
other
Ag1Sb1N2
4
166
58.08
mp-1216066
-7.923723
-1.470136
5.013444
other
Y2Co1Ru3
6
166
103.08
mp-1216627
-3.032148
-0.043767
2.681948
other
U1Ta1C2
4
166
51.02
mp-1224370
-5.671036
-3.52208
-2.026486
other
Ge1Sb2Te4
7
166
213.65
mp-996982
9.534945
8.661749
-0.401847
other
Ag1Bi1O2
4
166
75.82
mp-7329
-2.931996
-2.48729
-5.183625
other
K1Ce1S2
4
166
113.82
mp-999288
-5.971303
-3.889017
-1.810821
other
Pr1Tl1Te2
4
166
149.45
mp-1221838
9.563557
13.337661
-1.794253
other
Mn3Cr2O8
13
166
153.31
mp-10441
-5.334555
-4.335135
0.625823
other
Sr1Cu4As2
7
166
117.92
mp-1018025
10.097664
8.962181
2.8054
other
Lu1Ag1O2
4
166
61.08
mp-1215198
-3.604038
1.770502
2.858115
other
Zr1U1B24
26
166
205.09
mp-13695
9.588908
8.974556
2.528154
other
Sm1Cu1O2
4
166
66
mp-557655
-2.885196
-2.484287
-5.683161
other
Gd1Tl1S2
4
166
107.26
mp-754789
10.111721
13.088967
-1.796911
other
Na2Cr7O14
23
166
268.98
mp-1078999
3.122419
-0.562379
-2.072604
other
Nd1Al1H6
8
166
73.53
mp-1007685
-4.851917
-2.691772
-4.052786
other
In1Ag1Se2
4
166
92.69
mp-561619
-3.015988
-2.5217
-5.648749
other
Cs1Lu1S2
4
166
110.81
mp-1402995
-4.712027
0.257408
-4.84871
other
Mg1V4S8
13
166
236.17
mp-22566
-3.869891
-1.624426
-5.596713
other
Tl1In1S2
4
166
97.12
mp-7439
-3.78598
-4.689931
0.589323
other
K3Cu3P2
8
166
184.71
mp-10988
-4.651445
-3.778154
-3.827939
other
Na1Yb1Se2
4
166
106.37
mp-1226608
7.101534
8.381508
-0.9755
original
Ce1Pr4O10
15
166
228.46
mp-1221540
-5.349866
-1.062799
-4.195041
other
Mn2Se1S1
4
166
56.56
mp-759191
6.545841
14.23729
-1.821552
other
Li3Co4O8
15
166
135.12
mp-19378
10.929293
13.066313
-0.441716
other
Cr1Ag1O2
4
166
47.99
mp-1006888
-2.737451
-2.570286
-5.697598
other
K1Y1S2
4
166
103.62
mp-753226
9.629623
9.060099
2.617705
other
Sm1Ag1O2
4
166
70.94
mp-11740
-5.876553
-3.842892
-1.73977
other
K1Nd1Te2
4
166
151.61
mp-30041
-3.913874
-1.987844
-5.280245
other
Rb1Bi1S2
4
166
115.36
mp-546292
7.571298
8.636129
-1.997807
other
Yb2Cl2O2
6
166
120.84
mp-1217998
-3.91302
-1.706022
-5.69548
other
Sr1Cd4S5
10
166
221.58
mp-753898
11.737366
8.867633
1.704881
other
La1Tm1O2
4
166
61.41
mp-3857
13.064344
5.725169
-5.525049
other
Ba3P2O8
13
166
193.22
mp-1226924
10.909572
8.567019
2.605128
other
Ce3U1O8
12
166
163.4
mp-1246039
2.37854
2.386445
1.201849
other
In1B1N2
4
166
51.27
mp-570097
-3.537735
-4.420978
0.891671
other
Sr1Li4P2
7
166
124.09
mp-1222754
-7.861249
-9.443118
6.75745
other
La1Y1Mg6
8
166
202.16
mp-8710
8.035044
11.018978
-0.635382
other
Ca2Pt3O8
13
166
172.94
mp-22473
-4.76053
-3.016707
-4.007896
other
Na1In1Se2
4
166
96.19
mp-4494
-3.04349
-2.273859
-5.190634
other
Na1Yb1S2
4
166
93.33
mp-1225678
-4.729897
-2.969523
-3.802155
other
Cu1Bi1Se2
4
166
91.14
mp-10780
-4.328236
-4.109706
-3.755516
other
Rb1Sm1Se2
4
166
128.11
mp-10778
-4.304373
-4.09242
-3.792026
other
Rb1Pr1Se2
4
166
133.65
mp-1225790
8.128065
12.270039
-0.916043
other
Cu1Ni3O4
8
166
75.61
mp-1215554
-7.739302
-0.790072
4.59059
other
Zr2Fe1Co3
6
166
85.57
mp-758972
6.319696
13.707711
-2.240769
other
Li2Co8O16
26
166
264.53
mp-675011
8.606561
1.623544
-0.173056
other
Cs1P1F6
8
166
131.38
mp-753551
6.509465
13.590284
-2.337915
other
Mn1Co3O8
12
166
129.2
mp-1245869
5.069758
2.179926
-2.488839
other
Sn1C1N2
4
166
66.87
mp-1103959
-3.875317
1.646986
2.951761
other
Ho4Co3B6
13
166
175.85
mp-1178276
11.350115
9.039046
-0.808811
other
Ga1Pt1O2
4
166
46.66
mp-1246537
0.304497
2.644876
1.832392
other
Fe2Ni1N2
5
166
52.65
mp-33737
8.703658
14.257544
-1.158894
other
Mn3Cu3O8
14
166
140.24
mp-22338
7.823675
8.640546
-0.077683
other
Eu2O2F2
6
166
84.93
mp-1245560
0.645478
2.022187
2.320646
other
Zr1Mn1N2
4
166
40.41
mp-1222885
-3.372197
-4.088716
-3.027571
other
La1Er1Se2
4
166
102.19
mp-645286
-7.975393
0.669733
3.739929
other
Gd1Co12B6
19
166
185.67
mp-1224571
2.308616
1.690595
1.874517
other
Gd1Th1N2
4
166
65.69
mp-753202
9.955426
0.446821
0.242134
other
Li5Cu1F8
14
166
134.24
mp-1216707
-3.712596
-0.282192
2.936767
other
Ti1Nb1C2
4
166
43.25
mp-1018051
-3.71863
-0.846155
-4.87997
original
K1Ti1S2
4
166
84.77
mp-1188251
-7.97763
0.651727
3.744745
other
Y1Co12B6
19
166
185.43
mp-25417
12.816093
11.403415
1.422941
other
Li1Ti1O2
4
166
36.92
mp-1215195
-2.837669
-0.086434
2.723518
original
Zr1U1C2
4
166
56.34
mp-9783
11.91341
7.06398
-3.719703
other
Ba3As2O8
13
166
208.26
mp-33551
8.618778
13.34173
-1.220775
other
Li1Fe5O8
14
166
140.4
mp-1228559
-8.485412
-0.474604
2.365455
other
Al5Ni41B12
58
166
572.7