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-7804
-7.807784
0.363128
3.834474
other
Hf1Co3B2
6
191
59.17
mp-29726
-6.689426
-2.532462
5.142744
original
La1Si2Rh3
6
191
99.71
mp-1216126
-4.681432
-4.280993
6.172895
other
Y4Sc1Si10
15
191
283.11
mp-20355
-5.204398
-3.968615
5.733511
other
Ce4Co2Si6
12
191
235.7
mp-680706
-8.277542
-5.080846
2.514075
other
Y26Sn62Pd80
168
191
3,323.65
mp-1210756
1.111012
2.22089
1.746602
other
Li2Fe1N1
4
191
43.12
mp-1188111
-8.571314
0.425473
4.228179
other
Lu3Co11B4
18
191
210.92
mp-3040
-8.532836
0.673476
4.121397
other
Tb1Co3B2
6
191
64.35
mp-1189174
-8.63949
0.424696
4.261815
other
Ho3Co11B4
18
191
214.81
mp-1224217
-9.578589
-1.181907
4.253469
other
Ho2B6Rh9
17
191
228.13
mp-753669
-7.542991
-2.821467
2.673343
other
Hf1Mn6Sn6
13
191
244.71
mp-1072629
-8.191096
-0.921607
4.869606
other
Pu1B2Ru3
6
191
79.02
mp-1102948
-9.097215
-0.769073
2.600767
other
Gd2Ni8B2
12
191
151.24
mp-1077278
-7.670308
-0.452461
4.432724
other
Pu1B2Os3
6
191
80.54
mp-3055
-9.508306
-1.060476
4.348372
other
Nd1B2Rh3
6
191
80.81
mp-1025071
-9.057268
-1.546888
4.086267
other
Yb1B2Ir3
6
191
80.42
mp-22012
-6.84726
-1.149134
4.690207
other
Tb1Mn6Ge6
13
191
189.04
mp-1226538
-9.271072
-1.838131
3.11264
other
Ce1Zn2Ni3
6
191
88.84
mp-1019281
1.686851
2.0361
2.202269
other
Ta2N3F1
6
191
71.27
mp-1181106
7.31615
7.917808
-2.823199
other
K1Cr1O2
4
191
142.27
mp-1207556
-9.198071
-4.823276
4.018339
other
Yb1Ga2Cu3
6
191
95.75
mp-1188616
-9.259002
-0.967323
2.760701
other
Er3Ni13B2
18
191
228.23
mp-1219076
-9.059628
-0.702954
3.683764
other
Sm1Co2Ni3
6
191
82.74
mp-632864
7.199396
9.045859
-2.478193
other
Li1Ni1O2
4
191
65.43
mp-30557
-8.243511
-1.252875
4.986761
other
Y3Ga6Co9
18
191
266.57
mp-1105051
-7.623977
-2.972072
2.675626
other
Dy1Mn6Sn6
13
191
256.54
mp-552694
7.327964
8.460622
-1.769421
other
Yb2S1O2
5
191
97.43
mp-19936
-6.810426
-1.047958
4.468345
other
Sc1Mn6Ge6
13
191
182.99
mp-1025143
-9.54846
-1.092469
4.328039
other
Dy1B2Rh3
6
191
78.46
mp-1077140
1.271775
1.639457
2.73178
other
Zr2Ta1N3
6
191
77.91
mp-22117
-9.495566
-1.108925
4.27375
other
Gd1B2Rh3
6
191
79.28
mp-1229256
-5.888757
-3.196291
-2.683678
other
Ag32Te20As3
55
191
1,453.98
mp-1189913
-8.752868
0.497844
4.277528
other
Sm3Co11B4
18
191
214.83
mp-3093
-8.263237
-0.710961
5.094562
other
Er1B2Ru3
6
191
77.79
mp-1103545
-7.388028
-1.162756
3.539842
other
Hf1Co6Ge6
13
191
171.96
mp-1104538
-7.386842
-1.714707
2.656312
other
Tm1Fe6Sn6
13
191
226.17
mp-5353
-8.482104
0.671923
4.120876
other
Er1Co3B2
6
191
63.02
mp-1025068
-9.198024
-1.459711
4.132821
other
Nd1B2Ir3
6
191
82.2
mp-3186
-8.310061
-0.640648
5.143777
other
Tb1B2Ru3
6
191
78.64
mp-1105108
-6.437495
-1.600812
4.873185
other
Er1Cr6Ge6
13
191
187.2
mp-1103535
-7.494806
-1.227066
3.895114
original
Yb1Co6Ge6
13
191
174.62
mp-1103581
-8.283624
0.077813
4.406087
other
U2Co8B2
12
191
142.17
mp-21878
-8.452358
0.297547
4.361248
other
Ce2Co8B2
12
191
149.18
mp-22084
-6.804887
-0.968095
4.365942
other
Zr1Mn6Ge6
13
191
184.33
mp-4938
-8.285704
0.539747
3.911753
other
Sc1Co3B2
6
191
60.25
mp-1189127
-8.637506
-2.124523
3.190905
other
Tb3Ga6Ni9
18
191
269.05
mp-10132
-7.796957
-0.450063
4.496794
other
U1B2Os3
6
191
79.29
mp-3268
-8.275887
-0.860813
5.012794
other
Yb1B2Ru3
6
191
79.03
mp-569601
-6.913657
-2.479635
5.065278
other
Er1Si2Rh3
6
191
92.27
mp-1072051
-9.464988
-1.106918
4.301112
other
Tb1B2Rh3
6
191
78.75
mp-1103796
-9.15056
-0.81105
2.541413
other
Eu2Ni8B2
12
191
154.01
mp-1225361
-9.616825
-1.176323
4.256926
other
Dy2B6Rh9
17
191
228.68
mp-1224283
-4.598875
0.603134
3.088842
other
Hf1Ta1B4
6
191
56.84
mp-4785
-8.296656
-4.548045
4.052381
other
Ce1Al3Pd2
6
191
108
mp-1077393
-9.159323
-1.440335
4.170661
other
Tm1B2Ir3
6
191
79.71
mp-10112
-9.122656
-1.445357
4.156536
other
La1B2Ir3
6
191
83.43
mp-4454
-8.324043
0.652488
4.09569
other
Ce1Co3B2
6
191
65.61
mp-20051
-8.110471
-3.21609
2.491519
other
Ce2B2Pt8
12
191
197.83
mp-12965
-9.167678
-0.74906
2.677138
other
Er2Ni8B2
12
191
143.34
mp-1104674
-6.862659
-1.232318
4.806406
other
Nd1Mn6Ge6
13
191
193.49
mp-1025043
-8.41352
-4.321264
4.905274
other
U1Al2Cu3
6
191
94.92
mp-30182
-7.586686
-3.157913
5.377136
other
Th1Al3Ni2
6
191
97.99
mp-1217997
-4.496891
0.659136
3.082446
other
Ta3Al1B8
12
191
108.24
mp-1188151
-8.324142
-1.270992
4.948329
other
Sm3Ga6Co9
18
191
273.5
mp-4107
-7.398391
-1.139194
3.532548
other
Li1Co6Ge6
13
191
163.75
mp-1080381
-9.163538
-1.411777
4.108291
other
Sm1B2Ir3
6
191
81.79
mp-1025024
-9.424111
-1.195508
4.367129
other
Lu1B2Rh3
6
191
78.87
mp-19739
-6.870904
-0.429164
4.117471
original
Sc1Fe6Ge6
13
191
179.95
mp-569158
-8.605529
0.538691
4.216589
other
Dy4Co14B6
24
191
278.57
mp-22267
-6.853513
-1.155757
4.65737
other
Y1Mn6Ge6
13
191
188.77
mp-1217305
-8.515435
-2.110264
3.584557
other
Th1Al2Ni3
6
191
93.82
mp-542992
-8.349252
-2.970751
4.199858
other
Dy3Ga9Ni6
18
191
276.51
mp-11594
-9.252465
-1.472745
4.18084
other
Pr1B2Ir3
6
191
82.76
mp-1025065
-8.35435
-1.046464
3.492072
other
La1Mn2Ni3
6
191
93.39
mp-1219079
-9.337819
-1.572244
4.073603
other
Sm1Co2Cu3
6
191
87.27
mp-1212127
-7.629501
-3.058156
5.360734
other
Ho3Al9Ni6
18
191
278.89
mp-1219088
-8.978673
-0.419545
4.141247
other
Sm1Co3Ni2
6
191
84.79
mp-1215209
-4.552615
0.663865
3.045589
other
Zr1Ta1B4
6
191
58.02
mp-5757
-9.366304
-1.14222
4.266086
other
Ce1B2Rh3
6
191
80.02
mp-10129
-9.151178
-0.766215
2.69137
other
Tm2Ni8B2
12
191
142.52
mp-1106015
-8.258128
-1.264788
4.972672
other
Dy3Ga6Co9
18
191
267.95
mp-1104963
-6.951879
-0.351143
4.264632
other
Er1Fe6Ge6
13
191
183.92
mp-5620
-8.235721
-0.707018
5.066939
other
Tm1B2Ru3
6
191
77.58
mp-979265
1.520237
1.887753
2.419738
other
Ta2C1N3
6
191
71.58
mp-1222867
-6.839948
-5.848994
4.393053
other
Li3Ce1Ga8
12
191
226.18
mp-3223
-8.305525
-0.68953
5.057252
other
Th1B2Ru3
6
191
81.2
mp-1104467
-7.49845
-1.212003
3.811701
other
Lu1Co6Ge6
13
191
173.91
mp-1216696
-8.535514
-4.529759
4.397994
other
U1Ga2Cu3
6
191
95.67
mp-1226659
-8.940826
-0.708075
4.44583
other
Ce1Co3Cu2
6
191
85.14
mp-28705
-9.542311
-1.130356
4.254902
other
Ca1B2Rh3
6
191
78.28
mp-20673
-6.793197
-0.473797
3.932852
other
Mg1Fe6Ge6
13
191
180.54
mp-541883
-9.270293
-0.992694
2.750225
other
Tb3Ni13B2
18
191
230.52
mp-676829
1.950339
2.086896
1.243756
other
Li49Cu8N19
76
191
835.64
mp-1025075
-9.116416
-1.447495
4.121566
other
Tb1B2Ir3
6
191
80.73
mp-10897
-8.58529
-2.168395
3.51913
other
Pr1Al2Ni3
6
191
92.27
mp-7186
-7.676214
-3.185723
5.360698
original
Nd1Al3Ni2
6
191
97.71
mp-1220351
-4.847257
0.699377
3.146911
other
Nb1V1B4
6
191
51.43
mp-1072182
-9.153396
-1.465465
4.129016
other
Ho1B2Ir3
6
191
80.21
mp-1102752
-8.637401
0.331453
4.355733
other
Tm2Co8B2
12
191
145.39
mp-1215250
-4.639027
0.994693
3.086209
other
Zr1B4Mo1
6
191
57.35