Ca7Pm3Er2
Alexandria ALEXAlex-ID: agm011784028 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_132_spg10
PmEr2 Ca Pm
2024-06-24 11:41:59.191265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011784028).
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 agm011784028
data_agm011784028
_cell_length_a 18.98428
_cell_length_b 18.98428
_cell_length_c 6.46969
_cell_angle_alpha 79.76930
_cell_angle_beta 79.76930
_cell_angle_gamma 11.16517
_cell_volume 444.25654
_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
Ca1 Ca 0.24955 0.24955 0.74750 1.00000
Ca2 Ca 0.75045 0.75045 0.25250 1.00000
Ca3 Ca 0.41404 0.41404 0.91880 1.00000
Ca4 Ca 0.00000 0.00000 0.00000 1.00000
Ca5 Ca 0.58596 0.58596 0.08120 1.00000
Ca6 Ca 0.08484 0.08484 0.58074 1.00000
Ca7 Ca 0.91516 0.91516 0.41926 1.00000
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.83163 0.83163 0.83466 1.00000
Pm3 Pm 0.16837 0.16837 0.16534 1.00000
Er1 Er 0.33274 0.33274 0.33479 1.00000
Er2 Er 0.66726 0.66726 0.66521 1.00000
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