Ca2La4Zn
Alexandria ALEXAlex-ID: agm017455154 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_916_spg65
La4Zn Ca
2025-06-09 06:04:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017455154).
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
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# CIF generated by HEAS from Alexandria entry agm017455154
data_agm017455154
_cell_length_a 3.77686
_cell_length_b 3.77686
_cell_length_c 17.61658
_cell_angle_alpha 83.86759
_cell_angle_beta 96.13241
_cell_angle_gamma 89.96881
_cell_volume 248.40841
_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 0.79176 0.20824 0.08326 1.00000
Ca2 Ca 0.20824 0.79176 0.91674 1.00000
La1 La 0.94636 0.05364 0.39253 1.00000
La2 La 0.05364 0.94636 0.60747 1.00000
La3 La 0.62762 0.37238 0.75541 1.00000
La4 La 0.37238 0.62762 0.24459 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
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