Ca2TbPmCd4
Alexandria ALEXAlex-ID: agm033902834 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
CaTbCd2 CaPmCd2
2024-12-16 03:01:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033902834).
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 agm033902834
data_agm033902834
_cell_length_a 9.29216
_cell_length_b 9.29216
_cell_length_c 9.29216
_cell_angle_alpha 33.71278
_cell_angle_beta 33.71278
_cell_angle_gamma 33.71278
_cell_volume 220.21028
_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 0.24954 0.24954 0.24954 1.00000
Ca2 Ca 0.75046 0.75046 0.75046 1.00000
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.62426 0.62426 0.62426 1.00000
Cd2 Cd 0.12590 0.12590 0.12590 1.00000
Cd3 Cd 0.87410 0.87410 0.87410 1.00000
Cd4 Cd 0.37574 0.37574 0.37574 1.00000
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