Ca4Ho2Cr3
Alexandria ALEXAlex-ID: agm012965616 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_9_spg12
Ca Ho Cr
2024-06-29 00:45:36.238999
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012965616).
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 agm012965616
data_agm012965616
_cell_length_a 9.94208
_cell_length_b 9.94208
_cell_length_c 5.84338
_cell_angle_alpha 70.45785
_cell_angle_beta 70.45785
_cell_angle_gamma 29.01512
_cell_volume 262.89993
_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 0.34145 0.34145 0.90590 1.00000
Ca2 Ca 0.65855 0.65855 0.09410 1.00000
Ca3 Ca 0.82540 0.82540 0.40391 1.00000
Ca4 Ca 0.17460 0.17460 0.59609 1.00000
Ho1 Ho 0.53863 0.53863 0.69574 1.00000
Ho2 Ho 0.46137 0.46137 0.30426 1.00000
Cr1 Cr 0.04545 0.04545 0.36006 1.00000
Cr2 Cr 0.00000 0.00000 0.00000 1.00000
Cr3 Cr 0.95455 0.95455 0.63994 1.00000
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