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-1106118
-8.615226
-2.122911
3.227522
other
Tm3Ga6Ni9
18
191
265.56
mp-13490
-7.685154
-3.102184
5.207746
other
Er3Al9Ni6
18
191
277.26
mp-2880
-7.640912
-0.435491
4.486798
other
Lu1B2Os3
6
191
79.98
mp-5568
-8.695641
0.487369
4.305337
other
Nd3Co11B4
18
191
221.98
mp-1104709
-7.633806
-3.06578
2.705846
other
Sm1Mn6Sn6
13
191
260.2
mp-569886
-7.533266
-5.965185
3.021387
other
K1In9Ni2
12
191
295.54
mp-567863
-9.288563
-0.981014
2.753295
other
Y3Ni13B2
18
191
228.66
mp-5019
-8.41446
0.668074
4.11936
other
Y1Co3B2
6
191
64.26
mp-1219978
-8.288954
-1.398878
5.005925
other
Pr1Ga2Co3
6
191
92.94
mp-4634
-9.196973
-0.89327
2.626154
other
La2Ni8B2
12
191
154.56
mp-1182592
7.130972
7.779718
-2.795351
other
La1Al1O3
5
191
125.07
mp-1212604
-7.624675
-3.152355
5.249765
other
Gd3Al9Ni6
18
191
284.96
mp-19887
-6.619081
-0.400984
3.785344
other
Nb1Fe6Ge6
13
191
177.41
mp-1104097
-7.270013
-1.108732
3.450257
other
Ti1Co6Ge6
13
191
168.73
mp-1102475
-7.255915
-4.299636
5.086982
other
Ce4Ni2Ge6
12
191
255.65
mp-1018743
-9.222789
-2.131386
3.392554
other
La1Ni3Rh2
6
191
93.87
mp-12734
-8.392178
-4.61726
4.064115
other
Nd1Al3Pd2
6
191
108.51
mp-1215563
-9.246413
-1.617271
3.022265
other
Yb1Cu2Ni3
6
191
81.25
mp-1223329
-9.592894
-1.184908
4.226876
other
La2B6Rh9
17
191
236.06
mp-5940
-8.227313
-0.696824
5.056562
other
Ce1B2Ru3
6
191
79
mp-10058
-8.491174
0.630533
4.125172
other
Yb1Co3B2
6
191
63.71
mp-3465
-9.447311
-1.098657
4.279219
other
La1B2Rh3
6
191
81.97
mp-1018718
0.769415
1.524934
2.788246
other
Hf1Ta2N3
6
191
71.43
mp-3689
-8.735496
0.37973
4.403796
other
Nd2Co8B2
12
191
153.95
mp-1189146
-9.276543
-1.049802
2.72364
other
Sm3Ni13B2
18
191
237.99
mp-1217026
-5.011166
0.780947
3.218721
other
Ti1B4Mo1
6
191
52.07
mp-571044
-6.215336
-2.922316
5.49742
other
Ce1Si2Ir3
6
191
96.78
mp-18450
-6.90208
-0.370569
4.223171
other
Lu1Fe6Ge6
13
191
183.11
mp-1018710
1.032061
1.58027
2.760558
other
Hf2Ta1N3
6
191
75.16
mp-12697
-7.598993
-2.909628
2.72415
other
Sc1Mn6Sn6
13
191
247.65
mp-1208327
-7.621218
-3.13247
5.268129
other
Tb3Al9Ni6
18
191
282.11
mp-1104374
-7.556198
-1.199271
3.872592
other
Dy1Co6Ge6
13
191
176.62
mp-1222749
-9.220358
-1.748163
2.981287
other
La1Zn2Ni3
6
191
91.43
mp-30815
-8.301694
-4.602863
4.171218
other
La1Al3Pd2
6
191
111.51
mp-3867
-8.600553
0.493321
4.302155
other
Pr4Co14B6
24
191
292.57
mp-5369
-9.472265
-1.091587
4.362959
other
Pr1B2Rh3
6
191
81.34
mp-7559
-9.203179
-0.779943
2.652684
other
Y2Ni8B2
12
191
145.68
mp-1225103
-9.571398
-1.146017
4.283369
other
Er2B6Rh9
17
191
227.55
mp-1226638
-5.967844
-4.579563
1.017697
other
Ce2Sb2Pd2
6
191
133.79
mp-1103593
-8.688767
0.383895
4.354659
other
Dy2Co8B2
12
191
147.45
mp-1217069
-7.082067
-4.424706
3.461201
other
U2Sn2Pd2
6
191
125.5
mp-1219104
-4.305057
-4.4143
6.027144
other
Sm1Co1Si4
6
191
98.51
mp-504616
-8.369197
0.485684
4.157521
other
Ce4Co14B6
24
191
281.55
mp-1105064
-6.51244
-1.899055
3.48969
other
Mg1Si6Ni6
13
191
158.55
mp-542034
-8.663986
0.422151
4.377545
other
Pr5Co19B6
30
191
378.94
mp-29802
-7.766967
-1.775564
2.8358
other
Sc4Ni24Ge24
52
191
706.79
mp-1216692
-4.603801
0.670932
3.057446
other
Ti1Nb1B4
6
191
53.62
mp-13118
-8.639633
-5.195086
3.262983
other
Ce1Zn3Pd2
6
191
105.42
mp-1095459
-9.129157
-0.827303
2.683296
other
Ce2Ni8B2
12
191
148.11
mp-1105905
-8.250786
-1.311681
4.993191
other
Ho3Ga6Co9
18
191
263.68
mp-1222942
-9.33177
-2.381304
3.437372
other
La1Cu3Ni2
6
191
87.99
mp-639756
-8.620675
-5.454324
4.089086
other
Dy1In3Cu2
6
191
125.07
mp-15709
-8.445104
0.644172
4.076481
other
Lu1Co3B2
6
191
62.15
mp-1211250
-6.819039
-1.003535
4.329842
other
Mg1Mn6Ge6
13
191
186.02
mp-1025051
-9.489883
-1.294903
4.240505
other
Yb1B2Rh3
6
191
78.77
mp-10116
-8.985382
-1.556893
4.037076
other
U1B2Ir3
6
191
81.56
mp-570653
2.90379
-0.082589
-1.791772
other
La1Fe5H12
18
191
122.64
mp-1224263
-4.491786
0.73602
3.031098
other
Hf1Ti1B4
6
191
55.22
mp-1103936
-7.638938
-2.988285
2.680701
other
Er1Mn6Sn6
13
191
255.17
mp-1211323
-5.051581
-4.110813
5.941805
other
La4Si6Rh2
12
191
259.87
mp-1025102
-7.904363
-4.118595
3.60512
other
Ce1Al3Pt2
6
191
109.55
mp-546568
8.904056
9.654016
-0.460202
other
Ta3N3O3
9
191
152.05
mp-10359
-7.359542
-1.154662
3.532529
other
Zr1Co6Ge6
13
191
167.71
mp-1101842
-9.148399
-0.797882
2.711658
other
Lu2Ni8B2
12
191
146.15
mp-1220219
-8.20746
-3.805945
3.07678
other
Nd1Ga2Pt3
6
191
107.88
mp-1095566
-8.702661
0.332976
4.580577
other
La2Co8B2
12
191
155.3
mp-1024974
-6.380136
-2.097136
5.60395
other
Y1Si2Ru3
6
191
97.82
mp-1209829
-8.223917
-3.121653
2.355728
other
Nd2B2Pt8
12
191
198.09
mp-5197
-9.163095
-1.441137
4.127568
other
Er1B2Ir3
6
191
79.93
mp-768613
-7.527173
-2.866574
2.677774
original
Zr1Mn6Sn6
13
191
247.49
mp-1019262
1.866071
2.285556
1.98178
other
Ta2N3O1
6
191
71.57
mp-865970
-9.148952
-0.957125
2.634186
other
Yb3Ni13B2
18
191
223.67
mp-1217336
-8.506854
-0.013714
3.912116
other
Th1Fe2Ni3
6
191
86.08
mp-34278
10.928453
11.261044
-2.706096
other
K1W6O18
25
191
361.86
mp-1212814
9.784064
0.991159
-0.08036
other
Fe3N1F9
13
191
191.58
mp-1222903
-7.939855
-3.827296
2.868313
other
La1Al2Pt3
6
191
108.77
mp-1223084
-8.222202
-3.841204
3.072549
other
La1Ga2Pt3
6
191
109.88
mp-1226219
-5.077247
0.708157
3.177521
other
Cr1B4Mo1
6
191
49.43
mp-30181
-7.621652
-3.141267
5.276536
other
Pr1Al3Ni2
6
191
98.76
mp-1215948
-8.918285
-0.32719
4.370415
other
Y1Co3Ni2
6
191
82.1
mp-505207
-8.695007
0.558378
4.236366
other
Sm4Co14B6
24
191
277.67
mp-570998
1.958141
2.05658
1.110919
other
Na1Li2N1
4
191
55.19
mp-1072199
-8.869944
-1.320925
4.120991
other
Pu1B2Ir3
6
191
81.25
mp-1206258
-8.110097
-4.428499
3.963033
other
Np1Al3Pd2
6
191
108.63
mp-11610
-8.690838
0.345458
4.444943
other
Pr2Co8B2
12
191
155.3
mp-569482
-6.28775
-2.161977
5.642319
other
La1Si2Ru3
6
191
101.71
mp-1179854
-8.327999
-1.345737
5.000502
other
Pr3Ga6Co9
18
191
278.65
mp-1103637
-8.200297
-3.131044
2.333708
other
Eu2B2Pt8
12
191
198.61
mp-1024993
-9.224346
-1.42904
4.125114
other
Dy1B2Ir3
6
191
80.47
mp-1104772
-6.862045
-1.107336
4.602904
other
Yb1Mn6Ge6
13
191
189.42
mp-1105630
-8.341522
-1.28047
4.986041
other
La3Ga6Co9
18
191
281.98
mp-1210761
1.630002
2.161911
1.355697
other
Li2Ni1N1
4
191
42.21
mp-1210748
1.217264
2.252475
1.669815
other
Li2Mn1N1
4
191
46.56
mp-1207446
-7.284533
-1.681023
2.653056
other
Zr1Fe6Sn6
13
191
222.23
mp-1025017
-6.405032
-2.119213
5.581545
other
Nd1Si2Ru3
6
191
100.14
mp-1018703
-6.322185
-6.385085
3.836231
other
Eu2Zn2Ge2
6
191
144.68
mp-16491
-7.29348
-2.728757
6.29622
other
Sr1Al9Co2
12
191
207.62
mp-30028
-6.799263
-2.498185
5.128654
other
Y1Si2Rh3
6
191
93.45
mp-11350
-7.289928
-2.770752
6.201223
other
Ca1Al9Co2
12
191
203.67
mp-1018742
-8.962709
-2.379451
3.492131
other
La1Ni2Rh3
6
191
96.1