Li5Ca2Cd
Alexandria ALEXAlex-ID: agm006019802 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_424_spg107
Li3Ca2Cd Li
2023-09-09 09:29:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019802).
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 agm006019802
data_agm006019802
_cell_length_a 6.09860
_cell_length_b 6.09859
_cell_length_c 7.48636
_cell_angle_alpha 65.94242
_cell_angle_beta 65.94225
_cell_angle_gamma 89.98947
_cell_volume 227.51987
_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
Li1 Li 0.71943 0.71944 0.06723 1.00000
Li2 Li 0.71937 0.21318 0.06733 1.00000
Li3 Li 0.21315 0.71937 0.06736 1.00000
Li4 Li 0.21316 0.21317 0.06730 1.00000
Li5 Li 0.32417 0.32416 0.35145 1.00000
Ca1 Ca 0.21085 0.71071 0.57865 1.00000
Ca2 Ca 0.71073 0.21082 0.57866 1.00000
Cd1 Cd 0.11215 0.11215 0.77603 1.00000
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