Er2In3Pd7
Alexandria ALEXAlex-ID: agm005606014 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_107_spg65
ErPd3 InPd ErIn2Pd3
2023-06-13 13:49:12.488129
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606014).
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 agm005606014
data_agm005606014
_cell_length_a 4.59850
_cell_length_b 4.81966
_cell_length_c 11.19848
_cell_angle_alpha 102.40027
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 242.40387
_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 0.50000 0.65276 0.30547 1.00000
Er2 Er 0.50000 0.34724 0.69453 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.00000 0.14304 0.28525 1.00000
In3 In 0.00000 0.85696 0.71475 1.00000
Pd1 Pd 0.50000 0.21481 0.42949 1.00000
Pd2 Pd 0.50000 0.78519 0.57051 1.00000
Pd3 Pd 0.00000 0.57234 0.14564 1.00000
Pd4 Pd 0.00000 0.00000 0.00000 1.00000
Pd5 Pd 0.00000 0.42766 0.85436 1.00000
Pd6 Pd 0.50000 0.92918 0.85738 1.00000
Pd7 Pd 0.50000 0.07082 0.14262 1.00000
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