Ca2Tb5Dy4
Alexandria ALEXAlex-ID: agm005668272 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_657_spg2
TbDy5 Tb5Dy Ca
2023-06-21 12:23:37.882203
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668272).
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 agm005668272
data_agm005668272
_cell_length_a 8.07967
_cell_length_b 9.46811
_cell_length_c 9.53523
_cell_angle_alpha 73.61688
_cell_angle_beta 139.65017
_cell_angle_gamma 126.05726
_cell_volume 361.96776
_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 0.22752 0.27213 0.31912 1.00000
Ca2 Ca 0.77248 0.72787 0.68088 1.00000
Tb1 Tb 0.33136 0.18707 0.04755 1.00000
Tb2 Tb 0.66864 0.81293 0.95245 1.00000
Tb3 Tb 0.50000 0.00000 0.50000 1.00000
Tb4 Tb 0.93374 0.54193 0.12655 1.00000
Tb5 Tb 0.06626 0.45807 0.87345 1.00000
Dy1 Dy 0.11665 0.35475 0.59141 1.00000
Dy2 Dy 0.88335 0.64525 0.40859 1.00000
Dy3 Dy 0.58708 0.90763 0.22584 1.00000
Dy4 Dy 0.41292 0.09237 0.77416 1.00000
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