Ca(LaHf)2
Alexandria ALEXAlex-ID: agm012804733 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1368_spg166
Ca La Hf
2024-05-28 13:17:05.912028
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012804733).
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 agm012804733
data_agm012804733
_cell_length_a 15.17596
_cell_length_b 15.01363
_cell_length_c 3.32976
_cell_angle_alpha 86.45245
_cell_angle_beta 80.89784
_cell_angle_gamma 12.64970
_cell_volume 148.28919
_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 0.00000 0.00000 0.00000 1.00000
La1 La 0.19097 0.19097 0.80903 1.00000
La2 La 0.80903 0.80903 0.19097 1.00000
Hf1 Hf 0.40095 0.40095 0.59905 1.00000
Hf2 Hf 0.59905 0.59905 0.40095 1.00000
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