Ca2Co4AsP3
Alexandria ALEXAlex-ID: agm034121736 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_36_spg38
Co2P Ca(CoP)2 CaAs
2024-10-01 22:42:07.593217
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034121736).
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 agm034121736
data_agm034121736
_cell_length_a 5.60960
_cell_length_b 5.60960
_cell_length_c 5.51780
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 121.17613
_cell_volume 148.55616
_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
Ca1 Ca 0.49681 0.50319 0.50000 1.00000
Ca2 Ca 0.99806 0.00194 0.00000 1.00000
Co1 Co 0.50638 0.00275 0.24297 1.00000
Co2 Co 0.99725 0.49362 0.75703 1.00000
Co3 Co 0.99725 0.49362 0.24297 1.00000
Co4 Co 0.50638 0.00275 0.75703 1.00000
As1 As 0.12557 0.87443 0.50000 1.00000
P1 P 0.63337 0.36663 0.00000 1.00000
P2 P 0.36628 0.63372 0.00000 1.00000
P3 P 0.85857 0.14143 0.50000 1.00000
Get direct link