Ca4DyAl4FeO15
Alexandria ALEXAlex-ID: agm010718259 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D4E15_8_spg8
CaDyAlO4 Ca11Al14O32 Ca(FeO2)2 DyO2 CaO8
2024-05-31 04:29:33.133480
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010718259).
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 agm010718259
data_agm010718259
_cell_length_a 8.39266
_cell_length_b 8.39266
_cell_length_c 6.50538
_cell_angle_alpha 75.12464
_cell_angle_beta 75.12464
_cell_angle_gamma 36.78015
_cell_volume 264.12547
_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 0.59712 0.59712 0.09990 1.00000
Ca2 Ca 0.99745 0.99745 0.50436 1.00000
Ca3 Ca 0.40184 0.40184 0.89701 1.00000
Ca4 Ca 0.19846 0.19846 0.70322 1.00000
Dy1 Dy 0.80341 0.80341 0.30248 1.00000
Al1 Al 0.59723 0.59723 0.61110 1.00000
Al2 Al 0.99641 0.99641 0.99817 1.00000
Al3 Al 0.40383 0.40383 0.40057 1.00000
Al4 Al 0.80033 0.80033 0.79031 1.00000
Fe1 Fe 0.19946 0.19946 0.19977 1.00000
O1 O 0.30654 0.30654 0.26790 1.00000
O2 O 0.50501 0.50501 0.49036 1.00000
O3 O 0.89266 0.89266 0.91101 1.00000
O4 O 0.69949 0.69949 0.69848 1.00000
O5 O 0.09304 0.09304 0.13428 1.00000
O6 O 0.09492 0.60003 0.58796 1.00000
O7 O 0.29604 0.80218 0.80368 1.00000
O8 O 0.70060 0.19174 0.20055 1.00000
O9 O 0.49532 0.99107 0.99721 1.00000
O10 O 0.90909 0.41822 0.40600 1.00000
O11 O 0.60003 0.09492 0.58796 1.00000
O12 O 0.80218 0.29604 0.80368 1.00000
O13 O 0.19174 0.70060 0.20055 1.00000
O14 O 0.99107 0.49532 0.99721 1.00000
O15 O 0.41822 0.90909 0.40600 1.00000
