ErMgPd
Alexandria ALEXAlex-ID: agm017166821 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
ErMgPd
2025-01-21 04:24:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017166821).
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 agm017166821
data_agm017166821
_cell_length_a 7.37028
_cell_length_b 4.06759
_cell_length_c 12.87048
_cell_angle_alpha 90.00000
_cell_angle_beta 89.91798
_cell_angle_gamma 90.00000
_cell_volume 385.84752
_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 0.04129 0.75000 0.62190 1.00000
Er2 Er 0.45001 0.25000 0.28603 1.00000
Er3 Er 0.54999 0.75000 0.71397 1.00000
Er4 Er 0.15635 0.75000 0.91721 1.00000
Er5 Er 0.95871 0.25000 0.37810 1.00000
Er6 Er 0.84365 0.25000 0.08279 1.00000
Mg1 Mg 0.50213 0.25000 0.91415 1.00000
Mg2 Mg 0.36361 0.25000 0.54140 1.00000
Mg3 Mg 0.12436 0.75000 0.20356 1.00000
Mg4 Mg 0.63639 0.75000 0.45860 1.00000
Mg5 Mg 0.87564 0.25000 0.79644 1.00000
Mg6 Mg 0.49787 0.75000 0.08585 1.00000
Pd1 Pd 0.24453 0.25000 0.07991 1.00000
Pd2 Pd 0.74561 0.75000 0.25039 1.00000
Pd3 Pd 0.24701 0.75000 0.41516 1.00000
Pd4 Pd 0.75547 0.75000 0.92009 1.00000
Pd5 Pd 0.75299 0.25000 0.58484 1.00000
Pd6 Pd 0.25439 0.25000 0.74961 1.00000
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