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-1077547
-9.294727
-1.549141
2.765365
other
Tm1Ni4Au1
6
216
80.7
mp-961702
-6.224893
-4.434303
0.966402
other
La1Sb1Pt1
3
216
83.72
mp-1215177
-5.806962
-1.531843
3.716694
other
Zr1Ti1Mo4
6
216
107.06
mp-631449
-5.816116
-5.361356
4.347018
other
Li1Ta1Be1
3
216
48.01
mp-631313
-5.642642
-4.306149
4.174554
other
Sr1Hf2Mo1
4
216
92.52
mp-961718
-6.274131
-2.577457
1.610602
other
Ti1As1Rh1
3
216
52.96
mp-961670
-5.673471
-3.955244
4.600279
other
Hf1Si1Pt1
3
216
55.07
mp-16313
-6.462154
-3.957243
0.725596
other
Tb1Sb1Pt1
3
216
71.56
mp-1221821
-7.606023
-1.755682
2.652571
other
Mn2Ni1Sn1
4
216
55.29
mp-1018139
-6.436693
-4.774695
1.051544
other
Ho1Ni1Bi1
3
216
65.98
mp-11621
-6.380203
-3.088108
0.877612
other
Zn1Ni1Sb1
3
216
50.98
mp-1222659
-6.971192
-7.075048
3.253855
other
Li2Ga1Ag1
4
216
59.98
mp-631404
-7.508283
-1.425538
4.21573
other
Cr1Ir1Ru1
3
216
49.87
mp-1008680
-7.750047
-3.953647
2.990281
other
Ti1Ge1Pt1
3
216
52.62
mp-631382
-7.027844
-7.968282
5.411237
other
Y1Mg1Cu1
3
216
78.11
mp-631573
-5.660227
-1.051337
3.574583
other
Re2Au1Se1
4
216
66.28
mp-1212919
-8.35904
-6.63107
6.55634
other
Dy16Cd4Pt4
24
216
632.32
mp-631311
-6.848665
-1.426103
3.90965
other
Ir1Os1W1
3
216
53.8
mp-1209942
-7.703907
-6.75672
6.980974
other
Pr16Cd4Ni4
24
216
687.45
mp-674149
7.699143
11.260107
0.558583
other
Ru4Pb4O13
21
216
269.35
mp-5920
-5.833364
-5.399243
4.842569
other
Li1Al1Ge1
3
216
52.82
mp-1222602
-4.378577
-5.100704
5.257878
other
Li2Si1Au1
4
216
54.91
mp-5676
-6.781211
-3.175759
0.690991
other
Mn1Sb1Pt1
3
216
59.76
mp-1067900
-6.348979
-1.883131
1.914556
other
V2Ni1Sb1
4
216
59.09
mp-1215319
-7.369332
0.485119
4.8577
other
Zr1Al1Fe4
6
216
80.98
mp-11304
-6.516241
-7.116725
2.917822
other
Li2Cd1Pb1
4
216
80.16
mp-1008866
8.686668
8.970114
-0.099846
other
Na1Ag1O1
3
216
46.55
mp-961715
-7.064904
-4.67087
3.201848
other
Hf1Pt1Pb1
3
216
69.87
mp-15778
-6.226811
-3.526255
0.703886
other
Mg1Ni1Sb1
3
216
54.92
mp-631528
-5.123355
-6.112062
3.805902
other
Zn1B1Se2
4
216
68.5
mp-962059
-3.804505
-5.897817
5.336292
other
Sr1Mg1Si1
3
216
94.19
mp-13306
-7.64484
-5.249977
3.954479
other
Yb1Cu1Ge1
3
216
60.06
mp-962058
-3.640698
-3.217956
-3.89912
other
Y1Se1Cl1
3
216
81.05
mp-1246770
-4.825398
0.24977
-4.83719
other
Mg1V4S8
13
216
241
mp-1224606
-7.158956
-4.659914
6.461016
other
Gd1Lu1Al4
6
216
119.95
mp-600124
-6.586747
-2.786814
0.790502
other
Mn1Ni1Sb1
3
216
51.07
mp-20415
-8.522791
-6.627528
3.218073
other
Gd1Pb1Au1
3
216
80.12
mp-1215254
-7.149212
0.256923
4.417529
other
Zr1Fe4Si1
6
216
75.4
mp-631451
-5.463101
-3.66732
2.804669
other
Ta2Cd1Bi1
4
216
84.4
mp-1100400
-5.845731
-2.532865
4.470696
other
Nb1Si1Rh1
3
216
50.83
mp-1209444
-7.811108
-6.755062
6.936494
other
Pr16Mg4Rh4
24
216
723.44
mp-30591
-7.214271
-6.380031
3.094879
other
Li2Cu1Sn1
4
216
60.72
mp-1100394
-7.207191
-6.444046
5.717854
other
Mg1Sc1B1
3
216
49.13
mp-16238
-5.678788
-5.618036
0.527381
other
Li2Ag1Sb1
4
216
72.1
mp-631576
-7.869071
-3.285504
2.403945
other
Mo1Pt2Br1
4
216
66.91
mp-1215749
-6.738614
-3.693063
5.644231
other
Y1U1Al4
6
216
119.92
mp-34240
-4.786678
-5.223547
0.300061
other
Na1Zn1As1
3
216
64.16
mp-1225884
5.123783
-0.390169
-2.952365
other
Cs1B1H4
6
216
98.54
mp-605873
-7.984089
-6.826819
7.114894
other
Pr16Mg4Ru4
24
216
716.51
mp-1071890
-8.180498
-3.342561
2.516914
other
Nd1In1Pt4
6
216
112.39
mp-1076916
-6.564905
-5.036559
0.835088
other
Gd1Bi1Pd1
3
216
76.4
mp-1100395
0.257968
1.084582
-4.198294
other
Ba1Br1Cl1
3
216
110.62
mp-645130
-7.619176
-6.773324
7.078289
other
Pr16Mg4Co4
24
216
693.97
mp-1212909
-8.619176
-6.359675
6.382963
other
Er16Cd4Ir4
24
216
604.29
mp-11520
-6.169309
-3.822868
0.839203
original
Y1Ni1Sb1
3
216
63.47
mp-30381
-7.87391
-6.617122
2.876405
other
Li2Ga1Au1
4
216
58.31
mp-1212939
-8.15797
-6.619904
6.553971
other
Dy16Cd4Pd4
24
216
633.51
mp-567479
-8.65357
-6.402914
6.543799
other
Ho16In4Ir4
24
216
621.24
mp-1008903
-5.947707
-5.500476
0.754728
other
Mg1Ag1Sb1
3
216
69.08
mp-569685
-3.31222
-4.231669
0.729028
other
Li1Zn1P1
3
216
45.19
mp-1212283
-8.641643
-6.429491
6.662902
other
Ho16Cd4Ir4
24
216
613.26
mp-1219078
-7.469937
-1.121642
5.567709
other
Sm1Er1Mn4
6
216
97.09
mp-631946
-7.474461
-1.409797
4.457448
other
Sn1Os2Ru1
4
216
63.71
mp-1222078
-6.191107
-2.688583
-2.041141
other
Mn4Cu8Te8
20
216
442.06
mp-1225803
-7.603095
-4.512158
3.095331
other
Dy5Sn18Rh6
29
216
689.82
mp-1221872
-7.89666
-1.700841
3.396626
other
Mn2Ga1Rh1
4
216
53.44
mp-961673
-5.690171
-1.786859
-0.910222
other
Ti1Fe1Te1
3
216
50
mp-1206430
-9.536736
-4.474386
3.840616
other
Dy1Cu4Pd1
6
216
85.37
mp-20185
-6.235105
-3.730852
0.862212
other
Lu1Ni1Sb1
3
216
59.98
mp-631565
-5.660518
-2.292238
1.822293
other
Ga1As2W1
4
216
68.04
mp-1210038
-7.54054
-6.716898
6.903939
other
Nd16Mg4Ni4
24
216
687.81
mp-961666
-5.712755
-2.583236
2.311899
other
Mn1Nb1As1
3
216
53.18
mp-631564
-4.639096
-1.63239
4.625791
other
Mg1Be2B1
4
216
40.6
mp-756794
12.907557
12.293489
-0.187299
other
Li5V4O8
17
216
151.87
mp-1215179
-6.592755
-1.256243
4.388027
other
Zr1Ti1Cr4
6
216
84.84
mp-961671
-7.634579
-3.892194
3.308158
other
Ti1Ge1Pt1
3
216
54.71
mp-631317
-5.966497
-6.73014
2.565008
other
Na1Ir1Pb1
3
216
68.38
mp-1246794
-5.435828
-0.156113
-5.693721
other
Mg1Cr4S8
13
216
244.15
mp-1224193
-5.819007
-1.68196
3.802847
other
Hf1Zr1Mo4
6
216
108.79
mp-10184
-6.47696
-4.088448
0.664709
other
Mg1Sb1Pt1
3
216
62.09
mp-567679
-7.900265
-3.318681
3.973605
other
Ti1Ga1Rh1
3
216
51.62
mp-10183
-6.493485
-4.463827
0.529167
other
Mg1Sb1Pd1
3
216
62.33
mp-1100437
-3.963435
-5.908313
5.118831
other
Ba1Ca1Si1
3
216
99.83
mp-22541
-6.671949
-2.704002
0.834331
other
Mn1Ni1Sb1
3
216
51.95
mp-1215333
-8.17412
-0.687181
4.410041
other
Zr1Al1Co4
6
216
77.13
mp-1208941
-8.152164
-6.706053
6.701873
other
Sm16Cd4Pt4
24
216
677.74
mp-7173
-6.484883
-3.857121
0.915322
other
Sc1Sb1Pt1
3
216
64.26
mp-1206635
-6.420635
-7.097691
2.443244
other
Na2Sn1Hg1
4
216
100.66
mp-1064731
-6.172905
-2.421361
4.333405
other
Ti2Mn1Ga1
4
216
60.29
mp-962069
-6.006394
-3.164957
-2.534411
other
Li1Ag1Te1
3
216
65.47
mp-631511
-5.296776
-5.181393
0.727047
other
Bi1B1Te1
3
216
72.93
mp-961732
-6.52727
-5.135979
3.534711
other
Hf1Ni1Pb1
3
216
61.45
mp-13436
-9.016581
-1.608819
2.755717
other
Pr1Mg1Ni4
6
216
87.55
mp-13172
-9.499293
-4.695159
4.273597
other
Y1Mg1Cu4
6
216
92.04
mp-631556
-4.975032
-6.25058
3.641094
other
Ba1Ge2B1
4
216
90.83
mp-1206708
-8.105761
-6.16712
4.161625
other
Ce1Cd2Cu1
4
216
87.22
mp-1077228
-8.179763
-3.359489
2.535989
other
Pr1In1Pt4
6
216
113.19
mp-30324
-5.156785
-3.995752
5.213032
other
Mg5Si16Pt10
31
216
500.57
mp-31458
-6.36627
-3.130097
1.340932
other
Ti1Sb1Ru1
3
216
58.41
mp-568269
-6.521886
-4.79684
1.089775
other
Tm1Ni1Bi1
3
216
64.86