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-22480
-5.089625
-4.453604
5.951973
other
Gd2Sc2Si2
6
139
139.28
mp-567130
-5.710865
-2.912615
5.819943
other
Nd1Si2Ir2
5
139
85.47
mp-4404
-6.176546
-2.340968
1.247737
other
Sr1As2Ru2
5
139
99.35
mp-567859
-5.363904
-1.974184
5.718942
other
Sm1Fe2Si2
5
139
76
mp-568371
-5.852835
-2.395019
5.819246
other
Tm1Si2Ru2
5
139
81.2
mp-556546
8.957171
0.540415
0.68092
other
K2Ni1F4
7
139
104.11
mp-1069811
2.800089
-0.426781
-1.734796
other
Hf2H2Pd1
5
139
63.35
mp-758834
7.968932
12.348242
-0.976945
other
Mn3Ni34O40
77
139
748.72
mp-7248
-7.983199
-3.976403
5.397217
other
U1Al8Cu4
13
139
195.47
mp-1226577
10.062617
8.756515
3.239355
other
Ce1Th4O10
15
139
216.17
mp-8580
-5.710588
-1.505295
1.233978
other
Ca1P2Rh2
5
139
77.94
mp-19824
-7.070467
-1.695468
5.55944
other
Ca1Mn2Ge2
5
139
96.81
mp-5161
-8.100073
-3.007267
4.462222
other
Sm1Ge2Rh2
5
139
88.91
mp-1104540
-6.653871
-1.882705
5.880146
other
Tb1Al8Cr4
13
139
201.16
mp-757953
10.647111
11.754367
3.101458
other
Th1Nb4O12
17
139
251
mp-8581
-5.691188
-1.806083
1.21446
other
Sr1P2Rh2
5
139
92.3
mp-4865
-7.734292
-3.204908
4.272874
other
Er1Ni2Ge2
5
139
78.07
mp-4439
-5.366941
-3.581325
5.495973
other
Pr1Si2Ni2
5
139
79.04
mp-1104798
-8.025076
-3.965302
5.353892
other
Th1Al8Cu4
13
139
200.1
mp-23954
3.385264
-0.649274
-2.440711
other
Na2H2Pd1
5
139
69.95
mp-10558
1.680263
1.79416
2.078374
other
La3Nb2N6
11
139
169.06
mp-30427
-5.789111
-5.909664
0.827734
other
Ba2Zn2Bi4
8
139
265.93
mp-1206532
8.999044
0.875806
0.818467
original
Tl2Ni1F4
7
139
113.99
mp-569657
-7.448428
-5.223083
6.005538
other
Sm1Al2Zn2
5
139
93.01
mp-1226918
-6.034203
-3.725206
0.866854
other
Ce1Ni2Sb2
5
139
100.88
mp-21046
-7.78762
-2.881403
4.699263
other
U1Ge2Ir2
5
139
89.13
mp-569650
-8.116293
-2.990474
4.489834
other
Ho1Ge2Rh2
5
139
86.28
mp-20771
-6.27986
-5.851899
3.8412
other
Eu1Zn2Ge2
5
139
98.02
mp-1206349
-5.532926
-0.945163
1.267143
other
K1Co2P2
5
139
87.49
mp-28076
1.435027
2.565974
-5.755657
other
K3Mn2Cl7
12
139
320.08
mp-1069444
-6.190726
-4.105239
0.718585
other
Eu1As2Pd2
5
139
96.95
mp-5022
-5.857074
-2.42676
5.819635
other
Er1Si2Ru2
5
139
81.61
mp-1232323
9.621733
8.916673
-0.269591
other
Cu1Bi2O4
7
139
98.85
mp-5127
8.548088
11.517976
-0.084991
other
Li4Cu4O4
12
139
133.92
mp-1068635
-5.561987
-2.907124
5.714212
other
Y1Si2Ir2
5
139
87.26
mp-1206941
-5.533444
-0.997573
1.242796
other
Rb1Co2P2
5
139
92.46
mp-1192696
-7.845194
-2.253007
4.928958
other
Sc8Co8Ge14
30
139
459.72
mp-552098
9.656298
8.383121
-0.314128
other
Bi2Se1O2
5
139
92.74
mp-21287
-4.800697
-4.497278
5.503876
other
Gd1Si2Ag2
5
139
92.85
mp-1205721
8.054453
0.721214
1.324623
other
Rb3Pr1F6
10
139
276.3
mp-1177899
10.314127
0.894903
1.548184
other
Li2Mn1F4
7
139
79.54
mp-1069790
-2.64529
0.267927
2.535946
other
U2Rh1C2
5
139
75.93
mp-4668
-5.652516
-1.940297
-3.181309
other
K1Co2Se2
5
139
101.33
mp-4985
-5.492653
-2.143772
5.726624
other
Dy1Mn2Si2
5
139
78.68
mp-542985
-5.58783
-2.766295
5.777928
other
Gd1Co2Si2
5
139
73.16
mp-570558
1.345509
2.420146
-5.191462
other
Rb2Nb1Cl6
9
139
260.88
mp-569298
-6.273935
-1.885584
1.258238
other
Ca1Co2As2
5
139
81.1
mp-1105077
-7.086303
-0.617864
5.690255
other
Zr1Al8Fe4
13
139
182.56
mp-22978
1.436547
2.70139
-5.903993
other
Rb2Mn1Cl4
7
139
206.43
mp-3207
-7.673594
-3.277209
4.225826
other
Sr1Ni2Ge2
5
139
89.16
mp-1207207
-6.391668
-2.658534
1.130547
other
Rb1As2Ir2
5
139
114.04
mp-5501
-5.430253
-0.978227
-4.255458
other
Tl1Co2S2
5
139
91.32
mp-982188
-7.333387
-0.314314
4.528623
other
Y1Mn8Fe4
13
139
164.74
mp-22397
-7.841698
-2.352247
5.295443
other
Nd1Ge2Ru2
5
139
91.52
mp-1024960
-5.06545
-4.470205
5.996371
other
Pr2Sc2Si2
6
139
148.89
mp-697096
3.214068
-0.730923
-2.274221
other
Na2H4Pt1
7
139
89.28
mp-1206666
8.127842
0.806289
1.560851
other
K3Ho1F6
10
139
230.51
mp-568551
-5.514533
-2.226965
5.509496
other
Yb1Cr2Si2
5
139
79.18
mp-1077929
8.511332
9.439419
2.250311
other
La2Cu1O4
7
139
100.14
mp-5072
8.740198
8.530754
-0.067982
other
Rb2Hg1O2
5
139
122.74
mp-1206061
8.663909
1.718996
1.705982
other
K3U1F6
10
139
253.75
mp-3515
-7.600446
0.849473
4.143154
other
Y1Co2B2
5
139
58.78
mp-568747
-5.62157
-1.96783
-3.266957
other
K1Ni2Se2
5
139
102.09
mp-15605
-5.362963
-3.296374
5.355862
other
Sc2Si6Ni4
12
139
170.97
mp-638841
-6.338638
-2.514342
1.118422
other
Eu1As2Rh2
5
139
96.25
mp-16471
-7.990149
-3.174938
4.146143
other
Np1Ge2Rh2
5
139
89.49
mp-5682
-5.439353
-3.324912
5.356581
other
Th1Si2Ni2
5
139
78.79
mp-1025165
-6.881775
-2.234851
4.796965
other
Zr1V2Ga4
7
139
106.88
mp-570255
-6.982806
-5.092621
5.934592
other
Pr1Al2Ga2
5
139
99.02
mp-4064
-5.736179
-1.488951
0.983816
other
Ca1Ni2P2
5
139
70.42
mp-21079
-7.797029
-2.374335
5.283646
other
Tb1Ge2Ru2
5
139
88.34
mp-1104214
-8.004171
-0.249473
4.334759
other
Ce1Mn4Co8
13
139
160.3
mp-5786
-5.86357
-2.45888
5.630696
other
U1Si2Os2
5
139
83.41
mp-569607
-7.811865
-2.383716
5.270244
original
Pr1Ge2Ru2
5
139
92.46
mp-22374
-5.123949
-3.72059
5.364168
other
U1Cu2Si2
5
139
78.96
mp-541381
-5.26604
-4.647653
4.956229
other
Pu1Si2Au2
5
139
95.3
mp-4742
-8.115768
-4.608005
3.147857
other
Ho1Ge2Pd2
5
139
90.33
mp-1205866
-5.729108
-3.271253
1.104674
other
Ce2P4Pt4
10
139
178.13
mp-866538
-3.313898
-1.672261
-5.612201
other
Ca6Sn5S16
27
139
666.11
mp-567808
-8.014709
-4.324537
4.387512
other
Tm1Cu2Ge2
5
139
81.43
mp-1069613
11.258054
8.286104
2.856741
other
Er2Bi1O2
5
139
97.35
mp-5505
1.659014
1.43647
2.63475
other
U2Te1N2
5
139
97.26
mp-17658
-7.915411
-2.190027
3.244454
other
Sm2Ni6Ge6
14
139
216.97
mp-1246735
1.581844
1.854472
1.419164
other
Sr2Co1N2
5
139
93.03
mp-29964
1.787218
1.740377
2.195659
other
La3Ta2N6
11
139
167.26
mp-569696
-6.963684
-5.023663
5.93517
other
La1Al2Ga2
5
139
101.15
mp-1077975
11.928132
8.748706
2.348012
other
Sm4Bi2O1
7
139
191.1
mp-22615
-5.294609
-4.480322
5.149011
other
Gd1Si2Au2
5
139
92.8
mp-1223376
1.252903
2.068653
-5.53562
other
K1Na4Cl5
10
139
251.99
mp-12100
-5.560829
-3.210346
5.188256
other
Lu1Si2Ni2
5
139
71.24
mp-20095
-5.730579
-0.720409
1.816837
other
Eu1Fe2P2
5
139
77.01
mp-3813
-3.187049
-1.736438
-5.466255
other
Ba2Zr1S4
7
139
197.65
mp-1206488
8.964242
7.725745
-1.838338
other
Pb2I1O2
5
139
115.78
mp-16036
11.219914
8.05844
2.975956
other
Tb2Te1O2
5
139
96.54
mp-571350
-5.732734
-4.307515
0.60244
other
Ba2As4Pd4
10
139
213.84
mp-1211018
-7.951385
-6.427063
6.377433
other
Lu12Fe2Pb3
17
139
447.81
mp-4767
-5.617279
-2.448863
5.668489
other
Ce1Si2Os2
5
139
86.25
mp-4488
-6.05307
-2.069845
1.265557
other
Sr1Fe2As2
5
139
89.86
mp-1210793
-7.843465
-6.166688
5.791824
other
Sm22In12Ge8
42
139
1,154.25
mp-1068398
-8.258887
-6.141204
2.821261
other
Eu1Ge2Au2
5
139
104.27