ErAs(H4Pd)2
Alexandria ALEXAlex-ID: agm007612936 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
Er3As4Pd7 ErH3 AsH9 ErH4Pd3
2025-04-29 18:17:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007612936).
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 agm007612936
data_agm007612936
_cell_length_a 4.21865
_cell_length_b 4.62201
_cell_length_c 6.82591
_cell_angle_alpha 82.09750
_cell_angle_beta 102.66028
_cell_angle_gamma 102.38347
_cell_volume 126.26541
_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 0.51717 0.51179 0.49477 1.00000
As1 As 0.19584 0.04662 0.06494 1.00000
H1 H 0.06590 0.80086 0.45890 1.00000
H2 H 0.51305 0.13363 0.73189 1.00000
H3 H 0.89515 0.12368 0.59361 1.00000
H4 H 0.45365 0.63704 0.79438 1.00000
H5 H 0.44179 0.34218 0.04516 1.00000
H6 H 0.90802 0.55534 0.76881 1.00000
H7 H 0.91161 0.48443 0.28448 1.00000
H8 H 0.49347 0.88307 0.19538 1.00000
Pd1 Pd 0.18491 0.85988 0.72353 1.00000
Pd2 Pd 0.91944 0.12148 0.34417 1.00000
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