Ce3Dy2ZrP6
Alexandria ALEXAlex-ID: agm042856544 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
CeDy2P3 CeZrP2 CeP
2025-02-06 09:28:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042856544).
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 agm042856544
data_agm042856544
_cell_length_a 6.91994
_cell_length_b 6.91994
_cell_length_c 6.91318
_cell_angle_alpha 80.38006
_cell_angle_beta 99.61994
_cell_angle_gamma 60.01603
_cell_volume 270.25563
_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
Ce1 Ce 0.16903 0.16903 0.50000 1.00000
Ce2 Ce 0.83097 0.83097 0.50000 1.00000
Ce3 Ce 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.33396 0.33396 0.00000 1.00000
Dy2 Dy 0.66604 0.66604 0.00000 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
P1 P 0.40400 0.92033 0.23959 1.00000
P2 P 0.24309 0.75691 0.75771 1.00000
P3 P 0.59600 0.07967 0.76041 1.00000
P4 P 0.07967 0.59600 0.23959 1.00000
P5 P 0.75691 0.24309 0.24229 1.00000
P6 P 0.92033 0.40400 0.76041 1.00000
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