Ca3Tm5Mg
Alexandria ALEXAlex-ID: agm072393905 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1230_spg8
Ca Tm CaMg2
2024-09-24 13:45:22.129884
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072393905).
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 agm072393905
data_agm072393905
_cell_length_a 6.51810
_cell_length_b 6.51810
_cell_length_c 10.43406
_cell_angle_alpha 64.21874
_cell_angle_beta 64.21874
_cell_angle_gamma 49.04127
_cell_volume 294.03947
_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 0.40522 0.40522 0.89897 1.00000
Ca2 Ca 0.11398 0.11398 0.63907 1.00000
Ca3 Ca 0.45332 0.45332 0.52787 1.00000
Tm1 Tm 0.74399 0.74399 0.79264 1.00000
Tm2 Tm 0.81401 0.81401 0.38005 1.00000
Tm3 Tm 0.07218 0.07218 0.99981 1.00000
Tm4 Tm 0.14448 0.14448 0.27605 1.00000
Tm5 Tm 0.47797 0.47797 0.18763 1.00000
Mg1 Mg 0.77262 0.77262 0.09238 1.00000
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