Pr3Y(ErSb3)2
Alexandria ALEXAlex-ID: agm035916685 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Y3ErSb4 YEr3Sb4 PrSb
2024-12-06 11:28:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035916685).
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 agm035916685
data_agm035916685
_cell_length_a 9.96910
_cell_length_b 9.96910
_cell_length_c 8.92191
_cell_angle_alpha 77.20549
_cell_angle_beta 102.79451
_cell_angle_gamma 154.11031
_cell_volume 377.03466
_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
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.83368 0.16632 0.16707 1.00000
Pr3 Pr 0.16632 0.83368 0.83293 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.83319 0.16681 0.66679 1.00000
Er2 Er 0.16681 0.83319 0.33321 1.00000
Sb1 Sb 0.33550 0.66450 0.90907 1.00000
Sb2 Sb 0.66965 0.33035 0.57573 1.00000
Sb3 Sb 0.66450 0.33550 0.09093 1.00000
Sb4 Sb 0.00319 0.99681 0.24466 1.00000
Sb5 Sb 0.99681 0.00319 0.75534 1.00000
Sb6 Sb 0.33035 0.66965 0.42427 1.00000
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