Pm12Er5Tl2
Alexandria ALEXAlex-ID: agm003371504 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_28_spg12
PmEr2 Pm2Tl Pm
2022-02-07 10:32:35.638211
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003371504).
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 agm003371504
data_agm003371504
_cell_length_a 9.37801
_cell_length_b 9.03972
_cell_length_c 8.57493
_cell_angle_alpha 92.53070
_cell_angle_beta 90.00000
_cell_angle_gamma 121.24587
_cell_volume 620.66433
_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
Pm1 Pm 0.91565 0.83129 0.11493 1.00000
Pm2 Pm 0.03394 0.69781 0.76530 1.00000
Pm3 Pm 0.66387 0.69781 0.76530 1.00000
Pm4 Pm 0.18143 0.75310 0.34544 1.00000
Pm5 Pm 0.57167 0.75310 0.34544 1.00000
Pm6 Pm 0.44385 0.88771 0.68075 1.00000
Pm7 Pm 0.55615 0.11229 0.31925 1.00000
Pm8 Pm 0.81857 0.24690 0.65456 1.00000
Pm9 Pm 0.42833 0.24690 0.65456 1.00000
Pm10 Pm 0.96606 0.30219 0.23470 1.00000
Pm11 Pm 0.33613 0.30219 0.23470 1.00000
Pm12 Pm 0.08435 0.16871 0.88507 1.00000
Er1 Er 0.23260 0.46521 0.58588 1.00000
Er2 Er 0.31478 0.62956 0.99557 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Er4 Er 0.68522 0.37044 0.00443 1.00000
Er5 Er 0.76740 0.53479 0.41412 1.00000
Tl1 Tl 0.68264 1.00000 1.00000 1.00000
Tl2 Tl 0.31736 0.00000 0.00000 1.00000
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