CeTm2Mn
Alexandria ALEXAlex-ID: agm069908709 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7414_spg62
CeTm2Mn
2025-01-29 22:56:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069908709).
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 agm069908709
data_agm069908709
_cell_length_a 6.12929
_cell_length_b 9.39639
_cell_length_c 13.85051
_cell_angle_alpha 89.99732
_cell_angle_beta 89.99664
_cell_angle_gamma 90.00013
_cell_volume 797.69503
_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
Ce1 Ce 0.56050 0.75002 0.85239 1.00000
Ce2 Ce 0.06035 0.25003 0.64766 1.00000
Ce3 Ce 0.43950 0.24998 0.14761 1.00000
Ce4 Ce 0.93965 0.74997 0.35234 1.00000
Ce5 Ce 0.72592 0.75002 0.59104 1.00000
Ce6 Ce 0.22595 0.25003 0.90890 1.00000
Ce7 Ce 0.27408 0.24998 0.40896 1.00000
Ce8 Ce 0.77405 0.74997 0.09110 1.00000
Tm1 Tm 0.08323 0.92863 0.78367 1.00000
Tm2 Tm 0.58325 0.07144 0.71637 1.00000
Tm3 Tm 0.91670 0.42856 0.21633 1.00000
Tm4 Tm 0.41668 0.57136 0.28363 1.00000
Tm5 Tm 0.91677 0.07137 0.21633 1.00000
Tm6 Tm 0.41675 0.92856 0.28363 1.00000
Tm7 Tm 0.08330 0.57144 0.78367 1.00000
Tm8 Tm 0.58332 0.42864 0.71637 1.00000
Tm9 Tm 0.76097 0.42835 0.95993 1.00000
Tm10 Tm 0.26099 0.57168 0.54017 1.00000
Tm11 Tm 0.23903 0.92833 0.04007 1.00000
Tm12 Tm 0.73904 0.07164 0.45981 1.00000
Tm13 Tm 0.23903 0.57165 0.04007 1.00000
Tm14 Tm 0.73901 0.42832 0.45983 1.00000
Tm15 Tm 0.76097 0.07167 0.95993 1.00000
Tm16 Tm 0.26096 0.92836 0.54019 1.00000
Mn1 Mn 0.43937 0.75003 0.70105 1.00000
Mn2 Mn 0.93921 0.25004 0.79898 1.00000
Mn3 Mn 0.56063 0.24997 0.29895 1.00000
Mn4 Mn 0.06079 0.74996 0.20102 1.00000
Mn5 Mn 0.89527 0.75002 0.94021 1.00000
Mn6 Mn 0.39536 0.25001 0.55980 1.00000
Mn7 Mn 0.10473 0.24998 0.05979 1.00000
Mn8 Mn 0.60464 0.74999 0.44020 1.00000
