Li(Ca2Ag)2
Alexandria ALEXAlex-ID: agm005994646 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_905_spg9
Li4Ca5Ag4 Ca3Ag Ca5Ag3
2023-10-13 19:18:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994646).
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 agm005994646
data_agm005994646
_cell_length_a 7.43723
_cell_length_b 7.29891
_cell_length_c 9.24977
_cell_angle_alpha 107.61839
_cell_angle_beta 108.17706
_cell_angle_gamma 103.19671
_cell_volume 424.82334
_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 0.74473 0.34481 0.53534 1.00000
Li2 Li 0.95923 0.05967 0.96461 1.00000
Ca1 Ca 0.20269 0.73736 0.77868 1.00000
Ca2 Ca 0.73135 0.51833 0.89532 1.00000
Ca3 Ca 0.01602 0.42522 0.29352 1.00000
Ca4 Ca 0.58591 0.87291 0.60464 1.00000
Ca5 Ca 0.17254 0.95027 0.29836 1.00000
Ca6 Ca 0.62411 0.90189 0.20157 1.00000
Ca7 Ca 0.17413 0.20871 0.72139 1.00000
Ca8 Ca 0.47255 0.38172 0.20657 1.00000
Ag1 Ag 0.17771 0.55113 0.03725 1.00000
Ag2 Ag 0.60052 0.11838 0.95252 1.00000
Ag3 Ag 0.89048 0.76394 0.46281 1.00000
Ag4 Ag 0.39802 0.41568 0.54741 1.00000
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