Er2CrP3Ir7
Alexandria ALEXAlex-ID: agm020161527 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
Er2CrP3Ir7
2025-01-24 19:04:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020161527).
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 agm020161527
data_agm020161527
_cell_length_a 13.53643
_cell_length_b 13.53643
_cell_length_c 13.53643
_cell_angle_alpha 163.21708
_cell_angle_beta 163.21708
_cell_angle_gamma 23.82106
_cell_volume 206.74845
_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 0.33746 0.33746 0.00000 1.00000
Er2 Er 0.66254 0.66254 0.00000 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
P1 P 0.12300 0.12300 0.00000 1.00000
P2 P 0.87700 0.87700 0.00000 1.00000
P3 P 0.25000 0.75000 0.50000 1.00000
Ir1 Ir 0.07006 0.57006 0.50000 1.00000
Ir2 Ir 0.57068 0.07068 0.50000 1.00000
Ir3 Ir 0.92932 0.42932 0.50000 1.00000
Ir4 Ir 0.42994 0.92994 0.50000 1.00000
Ir5 Ir 0.20877 0.20877 0.00000 1.00000
Ir6 Ir 0.79123 0.79123 0.00000 1.00000
Ir7 Ir 0.00000 0.00000 0.00000 1.00000
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