Ho2PaSiC4
Alexandria ALEXAlex-ID: agm004776089 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_403_spg63
Ho4C7 HoSi PaC C
2022-07-13 10:55:51.111723
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004776089).
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
@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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004776089
data_agm004776089
_cell_length_a 3.41315
_cell_length_b 5.94488
_cell_length_c 11.89938
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.68240
_cell_volume 231.28469
_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 0.36516 0.73032 0.54949 1.00000
Ho2 Ho 0.63484 0.26968 0.04949 1.00000
Ho3 Ho 0.63484 0.26968 0.45051 1.00000
Ho4 Ho 0.36516 0.73032 0.95051 1.00000
Pa1 Pa 0.10370 0.20741 0.75000 1.00000
Pa2 Pa 0.89630 0.79259 0.25000 1.00000
Si1 Si 0.83741 0.67481 0.75000 1.00000
Si2 Si 0.16259 0.32519 0.25000 1.00000
C1 C 0.27436 0.54871 0.13546 1.00000
C2 C 0.72564 0.45129 0.63546 1.00000
C3 C 0.72564 0.45129 0.86454 1.00000
C4 C 0.27436 0.54871 0.36454 1.00000
C5 C 0.00000 0.00000 0.50000 1.00000
C6 C 0.00000 0.00000 0.00000 1.00000
C7 C 0.44120 0.88241 0.75000 1.00000
C8 C 0.55880 0.11759 0.25000 1.00000
Get direct link