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-3045
-7.652351
0.856899
4.973465
other
Er2Fe8B2
12
191
154.29
mp-2985
-8.275852
-0.714091
5.103318
other
Ho1B2Ru3
6
191
78.09
mp-22765
-4.423477
-4.969827
5.448829
other
Eu4Si6Pd2
12
191
258.93
mp-1217327
-8.334582
-1.02388
3.522738
other
Th1Mn2Ni3
6
191
88.61
mp-1105707
-9.302071
-0.989279
2.749809
other
Ho3Ni13B2
18
191
226.52
mp-1180456
10.355218
10.449512
-1.850179
other
Li1V1O2
4
191
71.81
mp-1207663
-8.112353
-2.796246
2.567341
other
Y3Ni9Sn6
18
191
316.38
mp-1207570
-9.10507
-4.550972
4.446541
other
Yb1Al2Cu3
6
191
96.63
mp-3453
-6.850274
-1.133325
4.67438
other
Er1Mn6Ge6
13
191
187.11
mp-12549
-7.176631
-3.447102
6.026192
other
Ba1Al9Ni2
12
191
214.4
mp-1104694
-6.859669
-0.364412
4.152502
other
Yb1Fe6Ge6
13
191
177.41
mp-754875
-6.840091
-2.478599
5.10507
other
Tb1Si2Rh3
6
191
95.4
mp-505807
-8.766546
0.266444
4.498312
other
Nd5Co21B4
30
191
394.65
mp-1101772
-9.17925
-0.854854
2.622938
other
Pr2Ni8B2
12
191
157.57
mp-571071
-6.890478
-2.523743
5.107163
other
Ho1Si2Rh3
6
191
94.7
mp-15950
-6.536371
-1.922428
3.441272
other
Li3Si18Ni18
39
191
468.22
mp-565431
11.408507
11.260434
-2.308553
other
Rb2W6O18
26
191
363.41
mp-29742
-6.684155
-2.545603
5.183663
other
Nd1Si2Rh3
6
191
95.93
mp-21252
-8.448657
0.67096
4.098557
other
Gd1Co3B2
6
191
65.01
mp-1103894
-7.548564
-1.249002
3.855382
other
Er1Co6Ge6
13
191
174.69
mp-1206184
-8.996569
-4.595106
4.640871
other
Ce1Al2Cu3
6
191
98.58
mp-981356
-6.856542
-0.389872
4.032995
other
Zr1Fe6Ge6
13
191
181.19
mp-22130
-6.759649
-0.377594
3.867579
other
Ti1Fe6Ge6
13
191
176.04
mp-1222475
1.624577
2.143054
1.522739
other
Li7Mn2N3
12
191
135.08
mp-1104337
-6.590616
-2.421574
3.432959
other
Y1V6Sn6
13
191
239.91
mp-1222937
-9.049853
-0.750002
3.691834
other
La1Co2Ni3
6
191
85.05
mp-1189384
-8.667502
-2.09149
3.149743
other
Yb3Ga6Ni9
18
191
267.46
mp-1188803
-8.585814
0.440262
4.259561
other
Tm3Co11B4
18
191
208.63
mp-1071252
-8.424103
-2.754709
4.257921
other
La1Ga2Rh3
6
191
105.18
mp-555465
-5.08051
-4.143782
4.978319
other
La10Si8O3
21
191
487.85
mp-1215178
-4.319916
0.819271
2.992966
other
Zr1Ti1B4
6
191
56.44
mp-1179932
-4.107543
-2.435792
-3.423073
other
Na1Cr1Se2
4
191
120.49
mp-21407
-7.300915
-2.737031
6.182365
other
Eu1Al9Co2
12
191
204.84
mp-30621
-6.916571
-2.497154
5.140935
other
Dy1Si2Rh3
6
191
95.02
mp-21201
-8.516138
-4.827922
3.933312
other
La1Ga3Pd2
6
191
110.1
mp-1214041
-3.936103
-5.17654
5.660656
other
Ca7Mg6Si14
27
191
610.72
mp-1220172
-7.805427
-3.784429
2.701382
other
Nd1Al2Pt3
6
191
106.75
mp-570950
-5.244104
-6.971333
2.928828
other
Na1Li2N1
4
191
93.17
mp-1103983
-7.543302
-1.291571
3.922407
other
U1Co6Ge6
13
191
177.28
mp-568687
-8.236097
-1.29677
4.980319
other
Tb1Ga2Co3
6
191
88.26
mp-1216667
-4.689617
0.781324
3.104049
other
Ti1V1B4
6
191
48.93
mp-1179963
7.177271
7.996496
-2.704021
other
Na1Cr1O2
4
191
129.57
mp-2903
-7.544974
-3.479054
5.17988
other
U1Al3Ni2
6
191
92.51
mp-1071766
0.747153
1.430816
2.814324
other
Zr1Ta2N3
6
191
72.13
mp-1208354
-8.569546
-0.54541
4.854301
other
Tb3Ga3Co12
18
191
258.45
mp-1207086
-3.294794
1.766042
2.787091
other
Mg1Al1B4
6
191
53.35
mp-1215211
-4.525741
0.765689
2.978427
other
Zr1Nb1B4
6
191
58.74
mp-5410
-8.485149
0.680041
4.11569
other
Sm1Co3B2
6
191
65.76
mp-1217818
-4.945897
0.603372
3.217912
other
Ta1V1B4
6
191
50.86
mp-1018723
-8.942536
-0.690292
4.436568
other
Ho1Co3Cu2
6
191
83.95
mp-22018
-6.74232
-0.969694
4.368594
other
Hf1Mn6Ge6
13
191
182.68
mp-1213483
-8.082932
-2.787183
2.569282
other
Dy3Ni9Sn6
18
191
318.34
mp-1019270
0.777019
1.508483
2.910084
other
Ta2Ti1N3
6
191
70.14
mp-1222150
-3.434271
1.706969
2.911813
other
Mg4Al1B10
15
191
139.15
mp-19725
-6.795013
-0.404887
3.988111
other
Hf1Fe6Ge6
13
191
179.77
mp-1217559
-8.270494
-1.203327
5.051702
other
Tb3Ga6Co9
18
191
269.85
mp-1218349
-8.007389
-6.248585
2.361084
other
Sr1Ag3Pd2
6
191
121.48
mp-1208873
-7.603549
-3.127026
5.30647
other
Sm3Al9Ni6
18
191
288.14
mp-1104742
-6.841635
-1.153315
4.701358
other
Ho1Mn6Ge6
13
191
189.68
mp-1106148
-8.677655
0.195231
4.522623
other
Y3Co13B2
18
191
232.92
mp-27296
12.526813
8.90673
2.460489
other
Zr2Ti4O2
8
191
125.82
mp-1188481
-8.243709
-3.270321
4.358726
other
Y3Ga9Ni6
18
191
288.71
mp-753119
11.359265
11.24858
-2.31976
other
Cs1W3O9
13
191
182.7
mp-761961
11.238107
11.28158
-2.512424
other
Rb5W18O54
77
191
1,143.83
mp-555617
-3.526989
-3.176902
4.305251
other
Ce10Si8O3
21
191
459.51
mp-4382
-8.224946
-0.669631
5.109375
other
Y1B2Ru3
6
191
78.6
mp-8048
-9.234766
-0.798927
2.608217
other
Nd2Ni8B2
12
191
151.06
mp-3494
-8.421231
-4.765669
3.830737
other
Ce1Ga3Pd2
6
191
107.06
mp-5063
-7.679684
-3.100529
5.223396
other
Y3Al9Ni6
18
191
281.86
mp-1217570
-9.301255
-1.524103
3.098135
original
Tb1Cu2Ni3
6
191
81.69
mp-22260
-7.618114
-2.99704
2.671654
other
Y1Mn6Sn6
13
191
256.99
mp-1104498
-6.840935
-1.18371
4.689077
other
Sm1Mn6Ge6
13
191
191.56
mp-1215019
-8.640092
-5.584599
4.14054
other
Ca30Al6Cu57
93
191
1,709.46
mp-1104779
-7.789678
-1.711271
2.737113
other
Mg1Ni6Ge6
13
191
176.62
mp-3467
-8.268611
-0.666663
5.123878
other
Sm1B2Ru3
6
191
79.73
mp-1227665
-5.843493
-6.650482
3.760638
other
Ba1Sr1Ga4
6
191
163.82
mp-1105070
-6.423068
-1.592893
4.829695
other
Dy1Cr6Ge6
13
191
188.29
mp-10398
-9.18663
-0.754869
2.669357
other
Ho2Ni8B2
12
191
144.07
mp-4561
-8.082489
-4.261566
4.287836
other
U1Al3Pd2
6
191
106.44
mp-972309
1.467679
1.76291
2.51075
other
Ta2B1N3
6
191
72.16
mp-16483
-7.093056
-1.791898
6.773284
other
Ba1Al9Fe2
12
191
215.75
mp-1188805
-8.655105
0.469018
4.24882
other
Tb3Co11B4
18
191
214.49
mp-1219013
-8.427075
-1.021579
3.349407
original
Sm1Mn2Ni3
6
191
88.4
mp-1224328
-4.58618
0.708033
3.022985
other
Hf1Nb1B4
6
191
57.55
mp-1102220
-9.184551
-0.822933
2.649336
other
Sm2Ni8B2
12
191
156.06
mp-1210657
-7.517804
-2.534017
2.65298
other
Mg1Mn6Sn6
13
191
230.98
mp-1198832
-6.378298
-0.960196
3.658431
other
Ta26Co80Si62
168
191
2,004.64
mp-1076960
-9.480938
-1.092802
4.350853
other
Tm1B2Rh3
6
191
77.61
mp-1103749
-6.444015
-1.525754
4.708683
other
Sc1Cr6Ge6
13
191
183.63
mp-20630
-7.619713
-2.993747
2.695753
other
Ho1Mn6Sn6
13
191
255.87
mp-1208350
-9.00154
-1.785848
2.910927
other
Tb3Ga3Ni12
18
191
250.05
mp-1220697
-4.261054
1.02918
2.957908
other
Nb2Al1B6
9
191
81.76
mp-10059
-7.917563
0.395091
3.954776
other
Zr1Co3B2
6
191
60.86
mp-1217318
-7.651012
-0.992778
4.271919
other
Th1Mn3Ni2
6
191
90.17
mp-1025056
-6.525249
-2.122863
5.50245
other
Th1Si2Ru3
6
191
99.96
mp-12964
-9.190338
-0.779836
2.662817
other
Tb2Ni8B2
12
191
145.66
mp-1220259
-8.339393
-1.27376
5.092494
other
Nd3Ga6Co9
18
191
276.89
mp-31098
-9.179371
-1.472951
4.148119
other
Y1B2Ir3
6
191
80.65
mp-1190121
-9.269981
-1.05854
2.748649
other
La3Ni13B2
18
191
246.89
mp-30043
-6.398905
-2.123261
5.525451
other
Ce1Si2Ru3
6
191
98.84