Er2Tm3ZrP6
Alexandria ALEXAlex-ID: agm033987315 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
ErTmP2 ErTm2ZrP4
2024-11-08 17:38:01.444165
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033987315).
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 agm033987315
data_agm033987315
_cell_length_a 8.74160
_cell_length_b 8.74160
_cell_length_c 7.84595
_cell_angle_alpha 77.03866
_cell_angle_beta 77.03866
_cell_angle_gamma 25.83790
_cell_volume 254.28855
_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 0.83390 0.83390 0.33312 1.00000
Er2 Er 0.16610 0.16610 0.66688 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.83249 0.83249 0.83383 1.00000
Tm3 Tm 0.16751 0.16751 0.16617 1.00000
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
P1 P 0.33701 0.33701 0.08046 1.00000
P2 P 0.66619 0.66619 0.41553 1.00000
P3 P 0.66299 0.66299 0.91954 1.00000
P4 P 0.99913 0.99913 0.75904 1.00000
P5 P 0.00087 0.00087 0.24096 1.00000
P6 P 0.33381 0.33381 0.58447 1.00000
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