Ca2Ac6Er
Alexandria ALEXAlex-ID: agm005685919 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_318_spg189
Ca Ac Er
2023-07-12 09:00:57.950700
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685919).
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 agm005685919
data_agm005685919
_cell_length_a 5.86500
_cell_length_b 9.36695
_cell_length_c 9.36695
_cell_angle_alpha 52.27944
_cell_angle_beta 89.99573
_cell_angle_gamma 89.99572
_cell_volume 407.04614
_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
Ca1 Ca 0.50005 0.22432 0.22433 1.00000
Ca2 Ca 0.49995 0.77568 0.77567 1.00000
Ac1 Ac 0.00002 0.57514 0.13675 1.00000
Ac2 Ac 0.99998 0.86325 0.42486 1.00000
Ac3 Ac 0.99998 0.42486 0.86325 1.00000
Ac4 Ac 0.50000 0.74580 0.25420 1.00000
Ac5 Ac 0.00002 0.13675 0.57514 1.00000
Ac6 Ac 0.50000 0.25420 0.74580 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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