Er4TcPd
Alexandria ALEXAlex-ID: agm005809923 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_370_spg62
Er3Tc ErPd
2023-07-31 13:30:40.448247
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809923).
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 agm005809923
data_agm005809923
_cell_length_a 4.28829
_cell_length_b 7.52336
_cell_length_c 18.12149
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 584.64139
_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 0.75000 0.90310 0.64691 1.00000
Er2 Er 0.25000 0.09690 0.35309 1.00000
Er3 Er 0.25000 0.59690 0.14691 1.00000
Er4 Er 0.75000 0.40310 0.85309 1.00000
Er5 Er 0.75000 0.85099 0.45595 1.00000
Er6 Er 0.25000 0.14901 0.54405 1.00000
Er7 Er 0.25000 0.64901 0.95595 1.00000
Er8 Er 0.75000 0.35099 0.04405 1.00000
Er9 Er 0.75000 0.99367 0.92770 1.00000
Er10 Er 0.25000 0.00633 0.07230 1.00000
Er11 Er 0.25000 0.50633 0.42770 1.00000
Er12 Er 0.75000 0.49367 0.57230 1.00000
Er13 Er 0.75000 0.92734 0.21889 1.00000
Er14 Er 0.25000 0.07266 0.78111 1.00000
Er15 Er 0.25000 0.57266 0.71889 1.00000
Er16 Er 0.75000 0.42734 0.28111 1.00000
Tc1 Tc 0.75000 0.24979 0.43775 1.00000
Tc2 Tc 0.25000 0.75021 0.56225 1.00000
Tc3 Tc 0.25000 0.25021 0.93775 1.00000
Tc4 Tc 0.75000 0.74979 0.06225 1.00000
Pd1 Pd 0.75000 0.77284 0.79804 1.00000
Pd2 Pd 0.25000 0.22716 0.20196 1.00000
Pd3 Pd 0.25000 0.72716 0.29804 1.00000
Pd4 Pd 0.75000 0.27284 0.70196 1.00000
