Ac2Pm5Er12
Alexandria ALEXAlex-ID: agm005664572 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_422_spg2
PmEr2 Pm2Er7 Ac
2023-06-26 07:20:55.740830
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664572).
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 agm005664572
data_agm005664572
_cell_length_a 6.85821
_cell_length_b 15.01083
_cell_length_c 12.66597
_cell_angle_alpha 139.65712
_cell_angle_beta 67.97684
_cell_angle_gamma 129.88124
_cell_volume 630.54650
_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
Ac1 Ac 0.76421 0.15574 0.19188 1.00000
Ac2 Ac 0.23579 0.84426 0.80812 1.00000
Pm1 Pm 0.23263 0.48930 0.60195 1.00000
Pm2 Pm 0.49715 0.66594 0.16996 1.00000
Pm3 Pm 0.00000 0.00000 0.50000 1.00000
Pm4 Pm 0.50285 0.33406 0.83004 1.00000
Pm5 Pm 0.76737 0.51070 0.39805 1.00000
Er1 Er 0.18035 0.12071 0.25514 1.00000
Er2 Er 0.08315 0.74390 0.02573 1.00000
Er3 Er 0.64670 0.76587 0.96234 1.00000
Er4 Er 0.93339 0.61882 0.20132 1.00000
Er5 Er 0.38830 0.59442 0.38987 1.00000
Er6 Er 0.39207 0.95119 0.60207 1.00000
Er7 Er 0.60793 0.04881 0.39793 1.00000
Er8 Er 0.06661 0.38118 0.79868 1.00000
Er9 Er 0.61170 0.40558 0.61013 1.00000
Er10 Er 0.91685 0.25610 0.97427 1.00000
Er11 Er 0.35330 0.23413 0.03766 1.00000
Er12 Er 0.81965 0.87929 0.74486 1.00000
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