Eu6P19Rh30
Alexandria ALEXAlex-ID: agm005255577 · Space group: P-3 (#147)
Basic Information
Formula
Eu6P19Rh30
Alex-ID
agm005255577
Elements
3
Sites
55
Space group
P-3 (#147)
Crystal system
trigonal
Volume
822.76
ų
Cell a
3.8521
Å
Cell b
15.7043
Å
Cell c
15.7043
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Eu6P19Rh30
Eu
6.00 · 10.9%
P
19.00 · 34.5%
Rh
30.00 · 54.5%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.8865
eV/atom
Corrected total energy
-433.7358
eV
Raw total energy
-433.7358
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0016
eV
DOS at Fermi level
78.1149
Total magnetisation
40.8256
μB
Additional Information
Prototype ID
A6B19C30_0_spg143
Decomposition
Eu6P19Rh30
Computed at
2022-12-17 11:20:29.317967
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005255577).
Reference
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
BibTeX
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005255577
data_agm005255577
_cell_length_a 3.85214
_cell_length_b 15.70433
_cell_length_c 15.70433
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 822.75741
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Eu1 Eu 0.75118 0.29652 0.90258 1.00000
Eu2 Eu 0.75118 0.09742 0.39394 1.00000
Eu3 Eu 0.75118 0.60606 0.70348 1.00000
Eu4 Eu 0.25223 0.70344 0.09742 1.00000
Eu5 Eu 0.25223 0.90258 0.60601 1.00000
Eu6 Eu 0.25223 0.39399 0.29656 1.00000
P1 P 0.75528 0.88281 0.74373 1.00000
P2 P 0.75528 0.25627 0.13908 1.00000
P3 P 0.75528 0.86092 0.11719 1.00000
P4 P 0.24828 0.11708 0.25614 1.00000
P5 P 0.24828 0.74386 0.86094 1.00000
P6 P 0.24828 0.13906 0.88292 1.00000
P7 P 0.75116 0.68261 0.23184 1.00000
P8 P 0.75116 0.76816 0.45077 1.00000
P9 P 0.75116 0.54923 0.31739 1.00000
P10 P 0.25225 0.31727 0.76809 1.00000
P11 P 0.25225 0.23191 0.54918 1.00000
P12 P 0.25225 0.45082 0.68273 1.00000
P13 P 0.75264 0.06199 0.62924 1.00000
P14 P 0.75264 0.37076 0.43275 1.00000
P15 P 0.75264 0.56725 0.93801 1.00000
P16 P 0.25080 0.93806 0.37086 1.00000
P17 P 0.25080 0.62914 0.56720 1.00000
P18 P 0.25080 0.43280 0.06194 1.00000
P19 P 0.50326 0.00000 0.00000 1.00000
Rh1 Rh 0.74949 0.73788 0.58421 1.00000
Rh2 Rh 0.74949 0.41579 0.15367 1.00000
Rh3 Rh 0.74949 0.84633 0.26212 1.00000
Rh4 Rh 0.25410 0.26205 0.41560 1.00000
Rh5 Rh 0.25410 0.58440 0.84645 1.00000
Rh6 Rh 0.25410 0.15355 0.73795 1.00000
Rh7 Rh 0.74929 0.12538 0.97749 1.00000
Rh8 Rh 0.74929 0.02251 0.14790 1.00000
Rh9 Rh 0.74929 0.85210 0.87462 1.00000
Rh10 Rh 0.25459 0.87478 0.02254 1.00000
Rh11 Rh 0.25459 0.97746 0.85224 1.00000
Rh12 Rh 0.25459 0.14776 0.12522 1.00000
Rh13 Rh 0.75345 0.42808 0.77671 1.00000
Rh14 Rh 0.75345 0.22329 0.65137 1.00000
Rh15 Rh 0.75345 0.34863 0.57192 1.00000
Rh16 Rh 0.25006 0.57213 0.22314 1.00000
Rh17 Rh 0.25006 0.77686 0.34899 1.00000
Rh18 Rh 0.25006 0.65101 0.42787 1.00000
Rh19 Rh 0.75145 0.53764 0.07356 1.00000
Rh20 Rh 0.75145 0.92644 0.46408 1.00000
Rh21 Rh 0.75145 0.53592 0.46236 1.00000
Rh22 Rh 0.25199 0.46226 0.92624 1.00000
Rh23 Rh 0.25199 0.07376 0.53602 1.00000
Rh24 Rh 0.25199 0.46398 0.53774 1.00000
Rh25 Rh 0.75515 0.04787 0.77226 1.00000
Rh26 Rh 0.75515 0.22774 0.27562 1.00000
Rh27 Rh 0.75515 0.72438 0.95213 1.00000
Rh28 Rh 0.24852 0.95196 0.22771 1.00000
Rh29 Rh 0.24852 0.77229 0.72425 1.00000
Rh30 Rh 0.24852 0.27575 0.04804 1.00000
