TbY2TmP4
Alexandria ALEXAlex-ID: agm048635959 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
YTm3P4 TbY3P4 Tb3YP4
2025-03-09 04:58:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048635959).
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 agm048635959
data_agm048635959
_cell_length_a 8.00204
_cell_length_b 8.00204
_cell_length_c 8.00204
_cell_angle_alpha 119.99665
_cell_angle_beta 120.00554
_cell_angle_gamma 89.99810
_cell_volume 362.31020
_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
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Tb2 Tb 0.00000 0.50000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.00000 0.00000 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Y4 Y 0.50000 0.00000 0.50000 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.00000 0.50000 0.50000 1.00000
P1 P 0.75097 0.25144 0.49954 1.00000
P2 P 0.25190 0.25144 0.00046 1.00000
P3 P 0.74810 0.74856 0.99954 1.00000
P4 P 0.24903 0.74856 0.50046 1.00000
P5 P 0.25023 0.25313 0.50290 1.00000
P6 P 0.25023 0.74733 0.99710 1.00000
P7 P 0.74977 0.25267 0.00290 1.00000
P8 P 0.74977 0.74687 0.49710 1.00000
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