Er3B2Pt7
Alexandria ALEXAlex-ID: agm002255604 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
ErBPt2 Er3Pt4 Er4BPt12
2018-10-28 23:31:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002255604).
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 agm002255604
data_agm002255604
_cell_length_a 5.46935
_cell_length_b 5.46935
_cell_length_c 8.24907
_cell_angle_alpha 71.39355
_cell_angle_beta 71.39359
_cell_angle_gamma 59.98727
_cell_volume 198.64546
_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
B1 B 0.82883 0.82883 0.50241 1.00000
B2 B 0.17117 0.17117 0.49759 1.00000
Pt1 Pt 0.06501 0.56336 0.29574 1.00000
Pt2 Pt 0.56336 0.06501 0.29574 1.00000
Pt3 Pt 0.06209 0.06209 0.30240 1.00000
Pt4 Pt 0.93791 0.93791 0.69760 1.00000
Pt5 Pt 0.43664 0.93499 0.70426 1.00000
Pt6 Pt 0.93499 0.43664 0.70426 1.00000
Pt7 Pt 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.64427 0.64427 0.06839 1.00000
Er2 Er 0.35573 0.35573 0.93161 1.00000
Er3 Er 0.50000 0.50000 0.50000 1.00000
Get direct link