TbZrCd4
Alexandria ALEXAlex-ID: agm005780903 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_144_spg191
ZrCd2 Zr2Cd TbCd3
2023-07-31 16:57:42.075637
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005780903).
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 agm005780903
data_agm005780903
_cell_length_a 4.91854
_cell_length_b 4.91774
_cell_length_c 6.61904
_cell_angle_alpha 90.01229
_cell_angle_beta 90.00645
_cell_angle_gamma 120.01222
_cell_volume 138.63530
_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
Tb1 Tb 0.00400 0.49945 0.49810 1.00000
Zr1 Zr 0.00402 0.49942 0.99808 1.00000
Cd1 Cd 0.67068 0.83274 0.23421 1.00000
Cd2 Cd 0.33734 0.16614 0.76212 1.00000
Cd3 Cd 0.67068 0.83279 0.76215 1.00000
Cd4 Cd 0.33734 0.16609 0.23418 1.00000
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