Ho4ErS12
Alexandria ALEXAlex-ID: agm099607142 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_1974_spg1
Ho10S19 ErS18 Er2S3
2025-04-21 10:40:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099607142).
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 agm099607142
data_agm099607142
_cell_length_a 5.27134
_cell_length_b 9.09782
_cell_length_c 8.48695
_cell_angle_alpha 87.48128
_cell_angle_beta 89.02670
_cell_angle_gamma 76.95350
_cell_volume 396.11518
_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
Ho1 Ho 0.10328 0.21139 0.81121 1.00000
Ho2 Ho 0.90979 0.58999 0.07968 1.00000
Ho3 Ho 0.78200 0.77124 0.50460 1.00000
Ho4 Ho 0.49444 0.46186 0.65674 1.00000
Er1 Er 0.58015 0.27971 0.21714 1.00000
S1 S 0.59600 0.22453 0.88656 1.00000
S2 S 0.45171 0.77486 0.02420 1.00000
S3 S 0.27275 0.26042 0.49812 1.00000
S4 S 0.29618 0.78398 0.61468 1.00000
S5 S 0.59337 0.97795 0.27753 1.00000
S6 S 0.62843 0.55054 0.35644 1.00000
S7 S 0.45738 0.93530 0.73264 1.00000
S8 S 0.43377 0.55490 0.98008 1.00000
S9 S 0.07118 0.28822 0.12061 1.00000
S10 S 0.96883 0.85073 0.22497 1.00000
S11 S 0.90490 0.20770 0.51838 1.00000
S12 S 0.95582 0.52669 0.74643 1.00000
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