Er3Tm(ThP3)2
Alexandria ALEXAlex-ID: agm004621263 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Tm5ThP6 ErTh4P5 Er3ThP4
2023-03-26 15:24:25.629727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004621263).
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 agm004621263
data_agm004621263
_cell_length_a 4.03793
_cell_length_b 8.03986
_cell_length_c 9.00134
_cell_angle_alpha 102.79023
_cell_angle_beta 102.96148
_cell_angle_gamma 90.00000
_cell_volume 277.33182
_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
Er1 Er 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.83377 0.16584 0.66753 1.00000
Er3 Er 0.16623 0.83416 0.33247 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Th1 Th 0.83546 0.67045 0.67091 1.00000
Th2 Th 0.16454 0.32955 0.32909 1.00000
P1 P 0.33411 0.92460 0.66821 1.00000
P2 P 0.66470 0.58860 0.32939 1.00000
P3 P 0.66589 0.07540 0.33179 1.00000
P4 P 0.99740 0.24759 0.99480 1.00000
P5 P 0.00260 0.75241 0.00520 1.00000
P6 P 0.33530 0.41140 0.67061 1.00000
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