Ca4As7Rh8
Alexandria ALEXAlex-ID: agm008596993 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7C8_4_spg11
Ca4As7Rh8
2025-01-17 19:13:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008596993).
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 agm008596993
data_agm008596993
_cell_length_a 13.04414
_cell_length_b 4.10912
_cell_length_c 13.60064
_cell_angle_alpha 90.00000
_cell_angle_beta 98.49577
_cell_angle_gamma 90.00000
_cell_volume 720.99484
_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 0.21328 0.75000 0.06529 1.00000
Ca2 Ca 0.78672 0.25000 0.93471 1.00000
Ca3 Ca 0.51523 0.75000 0.20875 1.00000
Ca4 Ca 0.48477 0.25000 0.79125 1.00000
Ca5 Ca 0.28621 0.75000 0.39401 1.00000
Ca6 Ca 0.71379 0.25000 0.60599 1.00000
Ca7 Ca 0.10057 0.75000 0.70535 1.00000
Ca8 Ca 0.89943 0.25000 0.29465 1.00000
As1 As 0.74140 0.75000 0.42388 1.00000
As2 As 0.25860 0.25000 0.57612 1.00000
As3 As 0.90560 0.75000 0.08465 1.00000
As4 As 0.09440 0.25000 0.91535 1.00000
As5 As 0.52993 0.75000 0.62841 1.00000
As6 As 0.47007 0.25000 0.37159 1.00000
As7 As 0.84752 0.75000 0.78044 1.00000
As8 As 0.15248 0.25000 0.21956 1.00000
As9 As 0.60924 0.75000 0.93636 1.00000
As10 As 0.39076 0.25000 0.06364 1.00000
As11 As 0.31037 0.75000 0.80998 1.00000
As12 As 0.68963 0.25000 0.19002 1.00000
As13 As 0.05715 0.75000 0.39832 1.00000
As14 As 0.94285 0.25000 0.60168 1.00000
Rh1 Rh 0.34195 0.75000 0.63798 1.00000
Rh2 Rh 0.65805 0.25000 0.36202 1.00000
Rh3 Rh 0.72186 0.75000 0.10114 1.00000
Rh4 Rh 0.27814 0.25000 0.89886 1.00000
Rh5 Rh 0.91965 0.75000 0.50174 1.00000
Rh6 Rh 0.08035 0.25000 0.49826 1.00000
Rh7 Rh 0.42518 0.75000 0.97150 1.00000
Rh8 Rh 0.57482 0.25000 0.02850 1.00000
Rh9 Rh 0.05506 0.75000 0.21945 1.00000
Rh10 Rh 0.94494 0.25000 0.78055 1.00000
Rh11 Rh 0.55435 0.75000 0.45289 1.00000
Rh12 Rh 0.44565 0.25000 0.54711 1.00000
Rh13 Rh 0.66419 0.75000 0.77237 1.00000
Rh14 Rh 0.33581 0.25000 0.22763 1.00000
Rh15 Rh 0.98530 0.75000 0.92678 1.00000
Rh16 Rh 0.01470 0.25000 0.07322 1.00000
