Li12Ca5Cd2
Alexandria ALEXAlex-ID: agm005684183 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_38_spg12
Li2Ca Li3Ca2Cd Li
2023-06-25 21:55:54.647027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684183).
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 agm005684183
data_agm005684183
_cell_length_a 7.55311
_cell_length_b 8.07460
_cell_length_c 8.97702
_cell_angle_alpha 63.27319
_cell_angle_beta 88.48559
_cell_angle_gamma 90.00000
_cell_volume 488.78540
_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 0.08570 0.08307 0.83386 1.00000
Li2 Li 0.76647 0.32606 0.73994 1.00000
Li3 Li 0.76647 0.93400 0.73994 1.00000
Li4 Li 0.33303 0.40120 0.80508 1.00000
Li5 Li 0.33303 0.79372 0.80508 1.00000
Li6 Li 0.67068 0.55041 0.89917 1.00000
Li7 Li 0.32932 0.44959 0.10083 1.00000
Li8 Li 0.66697 0.59880 0.19492 1.00000
Li9 Li 0.66697 0.20628 0.19492 1.00000
Li10 Li 0.23353 0.67394 0.26006 1.00000
Li11 Li 0.23353 0.06600 0.26006 1.00000
Li12 Li 0.91430 0.91693 0.16614 1.00000
Ca1 Ca 0.55592 0.75832 0.48335 1.00000
Ca2 Ca 0.03600 0.70017 0.59965 1.00000
Ca3 Ca 0.50000 0.00000 0.00000 1.00000
Ca4 Ca 0.96400 0.29983 0.40035 1.00000
Ca5 Ca 0.44408 0.24168 0.51665 1.00000
Cd1 Cd 1.00000 0.68451 0.00000 1.00000
Cd2 Cd 0.00000 0.31549 1.00000 1.00000
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