ErMo2H7
Alexandria ALEXAlex-ID: agm006205495 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_313_spg2
Mo2H3 ErH3 H2
2024-02-07 00:51:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205495).
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 agm006205495
data_agm006205495
_cell_length_a 4.62525
_cell_length_b 3.26535
_cell_length_c 8.65467
_cell_angle_alpha 123.13875
_cell_angle_beta 74.37437
_cell_angle_gamma 134.99899
_cell_volume 75.86399
_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
H1 H 0.11707 0.94528 0.39065 1.00000
H2 H 0.91967 0.76886 0.60413 1.00000
H3 H 0.37306 0.48591 0.79713 1.00000
H4 H 0.04074 0.22436 0.19667 1.00000
H5 H 0.65358 0.85601 0.49660 1.00000
H6 H 0.54158 0.27618 0.19662 1.00000
H7 H 0.82005 0.43232 0.79675 1.00000
Mo1 Mo 0.21449 0.62508 0.64454 1.00000
Mo2 Mo 0.59954 0.09036 0.34860 1.00000
Er1 Er 0.95262 0.35305 0.99648 1.00000
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