ErH8Ir2Pt
Alexandria ALEXAlex-ID: agm004875557 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_736_spg12
H3Pt ErH6Ir Pt Ir
2023-03-25 22:57:24.781718
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875557).
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 agm004875557
data_agm004875557
_cell_length_a 3.98806
_cell_length_b 4.98922
_cell_length_c 6.42805
_cell_angle_alpha 62.53968
_cell_angle_beta 71.92826
_cell_angle_gamma 66.44260
_cell_volume 102.77817
_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 0.50000 0.50000 1.00000
H1 H 0.86167 0.73714 0.53953 1.00000
H2 H 0.69981 0.45614 0.14423 1.00000
H3 H 0.13833 0.26286 0.46047 1.00000
H4 H 0.30019 0.54386 0.85577 1.00000
H5 H 0.62272 0.01006 0.24742 1.00000
H6 H 0.37728 0.98994 0.75258 1.00000
H7 H 0.11980 0.01006 0.24742 1.00000
H8 H 0.88020 0.98994 0.75258 1.00000
Ir1 Ir 0.24654 0.33014 0.17679 1.00000
Ir2 Ir 0.75346 0.66986 0.82321 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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