CaEr2Pd3
Alexandria ALEXAlex-ID: agm034007013 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4629_spg15
CaErPd2 ErPd
2025-04-15 05:06:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034007013).
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 agm034007013
data_agm034007013
_cell_length_a 7.20491
_cell_length_b 7.22172
_cell_length_c 10.78614
_cell_angle_alpha 82.12630
_cell_angle_beta 82.04494
_cell_angle_gamma 76.73395
_cell_volume 537.75712
_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 0.42336 0.17297 0.61932 1.00000
Ca2 Ca 0.57664 0.82703 0.38068 1.00000
Ca3 Ca 0.73980 0.99293 0.04666 1.00000
Ca4 Ca 0.26020 0.00707 0.95334 1.00000
Er1 Er 0.90209 0.15775 0.71164 1.00000
Er2 Er 0.92734 0.67462 0.62054 1.00000
Er3 Er 0.07266 0.32538 0.37946 1.00000
Er4 Er 0.09791 0.84225 0.28836 1.00000
Er5 Er 0.59155 0.34808 0.28713 1.00000
Er6 Er 0.23995 0.48744 0.04625 1.00000
Er7 Er 0.76005 0.51256 0.95375 1.00000
Er8 Er 0.40845 0.65192 0.71287 1.00000
Pd1 Pd 0.69963 0.44519 0.53132 1.00000
Pd2 Pd 0.18563 0.93767 0.53454 1.00000
Pd3 Pd 0.30037 0.55481 0.46868 1.00000
Pd4 Pd 0.81437 0.06233 0.46546 1.00000
Pd5 Pd 0.87251 0.61033 0.19606 1.00000
Pd6 Pd 0.35506 0.12094 0.20026 1.00000
Pd7 Pd 0.96654 0.22587 0.14663 1.00000
Pd8 Pd 0.46922 0.70911 0.14184 1.00000
Pd9 Pd 0.03346 0.77413 0.85337 1.00000
Pd10 Pd 0.53078 0.29089 0.85816 1.00000
Pd11 Pd 0.12749 0.38967 0.80394 1.00000
Pd12 Pd 0.64494 0.87906 0.79974 1.00000
