ErMn5P3
Alexandria ALEXAlex-ID: agm012834841 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_26_spg62
ErMn5P3
2024-09-21 21:14:41.343819
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012834841).
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 agm012834841
data_agm012834841
_cell_length_a 3.61685
_cell_length_b 6.96912
_cell_length_c 18.51385
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 466.66543
_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
Er1 Er 0.75000 0.12473 0.64059 1.00000
Er2 Er 0.25000 0.62473 0.85941 1.00000
Er3 Er 0.25000 0.87527 0.35941 1.00000
Er4 Er 0.75000 0.37527 0.14059 1.00000
Mn1 Mn 0.75000 0.31690 0.79611 1.00000
Mn2 Mn 0.25000 0.81690 0.70389 1.00000
Mn3 Mn 0.25000 0.68310 0.20389 1.00000
Mn4 Mn 0.75000 0.18310 0.29611 1.00000
Mn5 Mn 0.75000 0.63009 0.99718 1.00000
Mn6 Mn 0.25000 0.13009 0.50282 1.00000
Mn7 Mn 0.25000 0.36991 0.00282 1.00000
Mn8 Mn 0.75000 0.86991 0.49718 1.00000
Mn9 Mn 0.75000 0.37863 0.50526 1.00000
Mn10 Mn 0.25000 0.87863 0.99474 1.00000
Mn11 Mn 0.25000 0.62137 0.49474 1.00000
Mn12 Mn 0.75000 0.12137 0.00526 1.00000
Mn13 Mn 0.75000 0.63346 0.61618 1.00000
Mn14 Mn 0.25000 0.13346 0.88382 1.00000
Mn15 Mn 0.25000 0.36654 0.38382 1.00000
Mn16 Mn 0.75000 0.86654 0.11618 1.00000
Mn17 Mn 0.75000 0.93882 0.79404 1.00000
Mn18 Mn 0.25000 0.43882 0.70596 1.00000
Mn19 Mn 0.25000 0.06118 0.20596 1.00000
Mn20 Mn 0.75000 0.56118 0.29404 1.00000
P1 P 0.75000 0.89343 0.91601 1.00000
P2 P 0.25000 0.39343 0.58399 1.00000
P3 P 0.25000 0.10657 0.08399 1.00000
P4 P 0.75000 0.60657 0.41601 1.00000
P5 P 0.75000 0.62790 0.74384 1.00000
P6 P 0.25000 0.12790 0.75616 1.00000
P7 P 0.25000 0.37210 0.25616 1.00000
P8 P 0.75000 0.87210 0.24384 1.00000
P9 P 0.75000 0.36134 0.92102 1.00000
P10 P 0.25000 0.86134 0.57898 1.00000
P11 P 0.25000 0.63866 0.07898 1.00000
P12 P 0.75000 0.13866 0.42102 1.00000
