Ho5(Ge7Os2)2
Alexandria ALEXAlex-ID: agm008209682 · Space group: P2_1/c (#14)
Basic Information
Formula
Ho5(Ge7Os2)2
Alex-ID
agm008209682
Elements
3
Sites
46
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
879.10
ų
Cell a
8.2430
Å
Cell b
8.2726
Å
Cell c
13.0497
Å
α angle
90.00
°
β angle
98.92
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Ho5(Ge7Os2)2
Ho
10.00 · 21.7%
Ge
28.00 · 60.9%
Os
8.00 · 17.4%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.4766
eV/atom
Corrected total energy
-286.8335
eV
Raw total energy
-286.8335
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0307
eV
DOS at Fermi level
18.2519
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A4B5C14_0_spg14
Decomposition
Ho5(Ge7Os2)2
Computed at
2024-12-08 10:06:23
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: agm008209682).
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 agm008209682
data_agm008209682
_cell_length_a 8.24297
_cell_length_b 8.27256
_cell_length_c 13.04970
_cell_angle_alpha 90.00000
_cell_angle_beta 98.91888
_cell_angle_gamma 90.00000
_cell_volume 879.10485
_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
Ho1 Ho 0.65633 0.74716 0.13411 1.00000
Ho2 Ho 0.84367 0.24716 0.86589 1.00000
Ho3 Ho 0.34367 0.25284 0.86589 1.00000
Ho4 Ho 0.15633 0.75284 0.13411 1.00000
Ho5 Ho 0.83929 0.74671 0.86703 1.00000
Ho6 Ho 0.66071 0.24671 0.13297 1.00000
Ho7 Ho 0.16071 0.25329 0.13297 1.00000
Ho8 Ho 0.33929 0.75329 0.86703 1.00000
Ho9 Ho 0.00000 0.50000 0.50000 1.00000
Ho10 Ho 0.50000 0.00000 0.50000 1.00000
Ge1 Ge 0.38649 0.00146 0.05626 1.00000
Ge2 Ge 0.11351 0.50146 0.94374 1.00000
Ge3 Ge 0.61351 0.99854 0.94374 1.00000
Ge4 Ge 0.88649 0.49854 0.05626 1.00000
Ge5 Ge 0.60372 0.49999 0.93352 1.00000
Ge6 Ge 0.89628 0.99999 0.06648 1.00000
Ge7 Ge 0.39628 0.50001 0.06648 1.00000
Ge8 Ge 0.10372 0.00001 0.93352 1.00000
Ge9 Ge 0.17773 0.00717 0.31631 1.00000
Ge10 Ge 0.32227 0.50717 0.68369 1.00000
Ge11 Ge 0.82227 0.99283 0.68369 1.00000
Ge12 Ge 0.67773 0.49283 0.31631 1.00000
Ge13 Ge 0.23275 0.50698 0.31671 1.00000
Ge14 Ge 0.26725 0.00698 0.68329 1.00000
Ge15 Ge 0.76725 0.49302 0.68329 1.00000
Ge16 Ge 0.73275 0.99302 0.31671 1.00000
Ge17 Ge 0.46167 0.27738 0.31621 1.00000
Ge18 Ge 0.03833 0.77738 0.68379 1.00000
Ge19 Ge 0.33003 0.32862 0.50027 1.00000
Ge20 Ge 0.16997 0.82862 0.49973 1.00000
Ge21 Ge 0.66997 0.67138 0.49973 1.00000
Ge22 Ge 0.83003 0.17138 0.50027 1.00000
Ge23 Ge 0.94731 0.77790 0.31588 1.00000
Ge24 Ge 0.55269 0.27790 0.68412 1.00000
Ge25 Ge 0.05269 0.22210 0.68412 1.00000
Ge26 Ge 0.44731 0.72210 0.31588 1.00000
Ge27 Ge 0.96167 0.22262 0.31621 1.00000
Ge28 Ge 0.53833 0.72262 0.68379 1.00000
Os1 Os 0.12531 0.12396 0.49970 1.00000
Os2 Os 0.37469 0.62396 0.50030 1.00000
Os3 Os 0.87469 0.87604 0.50030 1.00000
Os4 Os 0.62531 0.37604 0.49970 1.00000
Os5 Os 0.93751 0.50008 0.24390 1.00000
Os6 Os 0.56249 0.00008 0.75610 1.00000
Os7 Os 0.06249 0.49992 0.75610 1.00000
Os8 Os 0.43751 0.99992 0.24390 1.00000
