ErTa(H4Pt)2
Alexandria ALEXAlex-ID: agm007609766 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_35_spg2
TaPt2 ErH3 H2
2025-05-27 07:36:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007609766).
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 agm007609766
data_agm007609766
_cell_length_a 4.88418
_cell_length_b 4.15030
_cell_length_c 6.35683
_cell_angle_alpha 93.54070
_cell_angle_beta 103.88052
_cell_angle_gamma 116.46490
_cell_volume 109.85694
_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 0.00000 0.50000 0.50000 1.00000
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
H1 H 0.34216 0.11160 0.53332 1.00000
H2 H 0.67301 0.71412 0.71318 1.00000
H3 H 0.65784 0.88840 0.46668 1.00000
H4 H 0.83734 0.27613 0.81243 1.00000
H5 H 0.16266 0.72387 0.18757 1.00000
H6 H 0.24283 0.87672 0.84201 1.00000
H7 H 0.75717 0.12328 0.15799 1.00000
H8 H 0.32699 0.28588 0.28682 1.00000
Pt1 Pt 0.46504 0.31529 0.79720 1.00000
Pt2 Pt 0.53496 0.68471 0.20280 1.00000
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