Er2ZnP3Pd7
Alexandria ALEXAlex-ID: agm020083262 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
ErPPd Er3(P3Pd10)2 ErZnP2Pd5 ZnPd
2024-10-25 23:58:28.747480
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020083262).
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 agm020083262
data_agm020083262
_cell_length_a 13.31931
_cell_length_b 13.31931
_cell_length_c 13.31931
_cell_angle_alpha 162.29664
_cell_angle_beta 162.29664
_cell_angle_gamma 25.13799
_cell_volume 218.43305
_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
Er1 Er 0.08694 0.58694 0.50000 1.00000
Er2 Er 0.41306 0.91306 0.50000 1.00000
Zn1 Zn 0.25000 0.75000 0.50000 1.00000
P1 P 0.87049 0.37049 0.50000 1.00000
P2 P 0.62951 0.12951 0.50000 1.00000
P3 P 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.82276 0.82276 0.00000 1.00000
Pd2 Pd 0.32376 0.32376 0.00000 1.00000
Pd3 Pd 0.67624 0.67624 0.00000 1.00000
Pd4 Pd 0.17724 0.17724 0.00000 1.00000
Pd5 Pd 0.96015 0.46015 0.50000 1.00000
Pd6 Pd 0.53985 0.03985 0.50000 1.00000
Pd7 Pd 0.75000 0.25000 0.50000 1.00000
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