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-1184637
-8.382205
-7.047074
5.31188
other
Ho2Zn1Hg1
4
225
93.98
mp-1186644
-9.036942
-5.583394
6.257857
other
Pm1Sm1Ir2
4
225
85.58
mp-1185292
-6.841344
-7.680788
4.965051
other
Li1Ac2Sn1
4
225
134.02
mp-862376
-8.162859
-4.558398
5.215272
other
Sc2Cu1Tc1
4
225
67.2
mp-974782
-8.182054
-7.391428
3.559141
other
Nd1Tl1Ag2
4
225
93.86
mp-865013
-8.507902
-6.587987
2.502657
other
Eu1Ag1Au2
4
225
87.62
mp-1224930
-7.031109
0.676014
3.914762
other
Ga1Fe7N2
10
225
101.16
mp-862969
-7.992726
-9.05793
6.964581
other
Pm1Y1Mg2
4
225
113.44
mp-983430
-8.194931
-3.758673
3.038471
other
Hf1Zn1Pt2
4
225
64.99
mp-864963
-9.054873
-5.964592
6.384277
other
Dy2Cu1Ir1
4
225
81.13
mp-1186124
-5.353325
-7.165767
3.66995
other
Na1Ca2Rh1
4
225
99.04
mp-1211429
-7.700532
-4.333538
1.283689
other
La3P6Pd20
29
225
470.12
mp-1187506
-8.155232
-6.88382
4.831697
other
Yb1Y1Zn2
4
225
92.34
mp-864762
-7.30975
-11.098691
5.355419
other
Li1Mg2Zn1
4
225
70.65
mp-1187814
-7.254142
-8.656189
6.111871
other
Yb1Ce1Mg2
4
225
117.47
mp-1111705
-0.311427
1.291615
-4.314412
other
Na3Au1Br6
10
225
328.2
mp-21406
9.072152
9.835661
2.862637
other
Eu3Ta1O6
10
225
153.83
mp-1214804
-7.990581
-0.910562
3.442871
other
Al1Co2Ni1
4
225
45.45
mp-864639
-6.113741
-2.169871
3.929784
other
Ta2Nb1Os1
4
225
67.07
mp-1110876
1.168487
2.182592
-5.798622
other
K3Tm1Cl6
10
225
345.75
mp-1206591
-7.417108
-1.547302
4.149668
other
Cr1Sn1Ru2
4
225
60.76
mp-865161
-8.925491
-6.238744
6.772056
other
Dy2Ag1Ru1
4
225
84.35
mp-1110730
1.185373
2.361801
-5.902324
other
Rb3Nd1Cl6
10
225
400.96
mp-1184970
-6.065978
-6.535848
0.623332
other
Li2Hg1Bi1
4
225
82.11
mp-1187841
-8.762904
-5.968771
5.078658
other
Y1Er1Cu2
4
225
80.91
mp-1187921
-7.280745
-1.318768
4.065794
other
Zn1Ru2W1
4
225
56.42
mp-1215427
-4.649632
-3.009116
-4.301837
other
Zn1Cd1Se2
4
225
83.67
mp-1187607
-9.167425
-6.396059
3.967905
other
Tm1Lu1Au2
4
225
86.42
mp-697044
3.239168
-0.845352
-2.246129
other
Ba2H6Os1
9
225
132.49
mp-865115
-7.92878
-8.030195
3.711458
other
Na1Nd1Hg2
4
225
101.78
mp-1114251
8.345438
0.955712
1.522867
other
Na3Y1F6
10
225
168.62
mp-976600
-6.442247
-2.865568
4.408118
other
Li1Hf2Tc1
4
225
69.57
mp-672680
-7.19852
-1.056897
4.198533
other
Zr6Co16Si7
29
225
367.77
mp-864908
-7.977247
-2.409297
3.919592
other
Mg1Ti1Ir2
4
225
58.28
mp-979946
-8.751315
-6.125504
5.128399
other
Dy1Y1Cu2
4
225
82.26
mp-1183461
-5.912699
-7.303211
3.608874
other
Ca2Tl1Zn1
4
225
106.11
mp-1147615
8.234054
10.581789
-0.562091
other
Nb1Cu6O8
15
225
200.68
mp-30844
-8.100431
-3.886569
2.949946
other
Sc1Sn1Pt2
4
225
72.7
mp-976344
-7.962057
-6.530543
5.852908
other
Nd2Zn1Ga1
4
225
100
mp-865696
-8.592564
-2.799115
3.849241
other
Ho1Ga1Rh2
4
225
65.03
mp-864732
-6.800335
-6.279428
3.860295
other
Yb2Cd1Ge1
4
225
98.95
mp-1185763
-8.39442
-9.144119
4.599262
other
Mg2Ga1Pd1
4
225
67.25
mp-672259
-6.928494
0.017387
3.884112
other
Al1Fe2Mo1
4
225
50.33
mp-867899
-8.98308
-5.64556
6.343664
other
Sm2Ir1Rh1
4
225
84.5
mp-1187184
-5.819395
-7.088024
3.487655
other
Sr1Li2In1
4
225
101.31
mp-1184372
-5.542094
-5.867739
0.973201
other
Eu2Sb1Au1
4
225
114.69
mp-864630
-7.408031
-9.235173
3.980107
other
Li1Mg2Hg1
4
225
75.59
mp-1187455
-9.031207
-5.102058
4.280329
other
Th1In1Cu2
4
225
78.57
mp-1185767
-8.256872
-3.736829
3.464271
other
Mg2Ir1Pd1
4
225
62.29
mp-20491
-9.00281
-5.151591
4.364446
other
La1In1Cu2
4
225
81.5
mp-865232
-8.320074
-5.081316
2.045557
other
Tl1Pd2Au1
4
225
69.6
mp-1187242
-5.930367
-1.649019
3.984138
other
Ta1Nb1Re2
4
225
65.45
mp-977391
-7.989114
-6.457986
6.901445
other
Li1Nd2Os1
4
225
90.66
mp-22790
-7.253696
-0.848991
3.320386
other
V1Ga1Co2
4
225
46.78
mp-865655
-6.08273
-1.627089
4.101984
other
Ti1Nb1Tc2
4
225
62.03
mp-865506
-6.8213
-1.328282
4.21317
other
V1Si1Os2
4
225
52.67
mp-1184649
-8.777161
-6.263759
5.438941
other
Ho2Zn1Pd1
4
225
86.6
mp-865958
-7.737072
-7.379361
3.277437
other
Ac1Tl1Ag2
4
225
102.53
mp-978528
-8.024426
-8.864907
6.594481
other
Sm1Mg2Sc1
4
225
103.16
mp-1007821
-7.979818
-0.911242
3.332549
other
Ga1Co2Ni1
4
225
45.87
mp-862717
-8.467943
-5.908099
2.576025
other
Li1Al1Au2
4
225
60.6
mp-1205912
8.112466
0.792263
1.715297
other
K3Lu1F6
10
225
201
mp-1111445
1.53601
2.456083
-5.456716
other
Na3Ga1Cl6
10
225
259.6
mp-1186177
-7.143869
-7.363274
4.834439
other
Na1Tb1Tl2
4
225
105.34
mp-11360
-9.110119
-4.696491
4.249908
original
Sc1Ga1Cu2
4
225
57.68
mp-866227
-8.488732
-5.122854
5.599292
other
Ca1Nd1Rh2
4
225
82.8
mp-1186228
-7.174928
-1.72701
4.557876
other
Nb1Si1Ru2
4
225
58.03
mp-20145
-7.21383
-1.197803
3.548584
other
Ti1Ga1Co2
4
225
48.59
mp-977547
-8.117586
-2.639277
3.379701
other
Mg1Zn1Rh2
4
225
55.91
mp-1184543
-8.557932
-6.730764
4.92843
other
Gd1Lu1Ag2
4
225
92.95
mp-865525
-8.15532
-8.123028
3.267031
other
Y1Cd1Hg2
4
225
91.64
mp-867241
-6.983371
-7.173367
4.992849
other
Ac2Ge1Pd1
4
225
114.83
mp-1183073
-6.997391
-7.782575
4.881199
other
Ac2Tl1In1
4
225
139.7
mp-1212464
-7.768879
-3.261854
5.404625
other
Hf6Al16Ir7
29
225
457.48
mp-1183716
-7.429342
-6.518709
4.76108
other
Ce2Tl1Ag1
4
225
111.05
mp-865552
-8.136019
-6.687036
3.547125
other
Ce1Cd1Ag2
4
225
91.26
mp-1206041
8.780005
1.289924
1.385015
other
Cs3V1F6
10
225
211.85
mp-977440
-8.153818
-3.379708
2.902093
other
Li1Ti1Pt2
4
225
57.32
mp-19239
16.68515
9.342045
7.176836
other
Mg24Mn4O32
60
225
583.76
mp-1183800
-8.561338
-6.797882
4.686232
other
Dy1Er1Ag2
4
225
92.48
mp-865602
-7.525729
-6.281133
6.47829
other
Y2Mg1Al1
4
225
99.74
mp-977433
-9.006039
-6.586213
5.160387
other
Er1Mg1Zn2
4
225
75.79
mp-865829
-9.069032
-5.683464
6.141589
other
Lu2Cu1Ir1
4
225
74.59
mp-1184363
-8.89666
-5.098878
6.338102
other
Er1Lu1Ru2
4
225
73.55
mp-1184535
-9.106576
-5.58824
6.353508
other
Gd1Ho1Ir2
4
225
81.25
mp-864907
-8.351742
-4.798347
2.937763
other
Mg1Zr1Pd2
4
225
69.28
mp-867191
-7.774036
-7.254741
5.724187
other
Sm2Tl1Cd1
4
225
111.57
mp-862375
-7.985321
-4.878345
5.129931
other
Sc2Tc1Hg1
4
225
75.35
mp-978995
-8.600829
-2.423362
3.821918
other
Tm1Mn1Rh2
4
225
65.59
mp-862977
-8.719646
-6.417609
6.517053
other
Pm2Ag1Ir1
4
225
92.36
mp-1184485
-9.117633
-5.515112
6.297474
other
Gd1Lu1Ir2
4
225
78.18
mp-980064
-8.002007
-7.786967
3.672018
other
Yb1Er1Hg2
4
225
102.11
mp-867985
-8.857875
-6.442096
2.688349
other
Sm1Pb1Au2
4
225
92.37
mp-865318
-8.690319
-6.079213
6.589082
other
Lu2Mg1Ru1
4
225
82.67
mp-1110570
8.822002
0.963405
1.211512
other
Na3Ga1F6
10
225
137.56
mp-10887
-8.702871
-4.499122
4.317265
other
Hf1Al1Cu2
4
225
58.16
mp-867110
-8.338722
-4.333018
5.078254
other
Sc2Co1Os1
4
225
63.45
mp-979425
-8.509562
-6.819517
4.585879
other
Y1Ho1Ag2
4
225
93.82
mp-1183482
-6.357677
-6.739703
3.925402
other
Ca2Cu1Rh1
4
225
85.64
mp-865447
-6.635915
-4.332751
0.549983
other
Lu1Sb1Pd2
4
225
74.7