YTmP2
Alexandria ALEXAlex-ID: agm074299533 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_11054_spg164
Y3TmP4 YTm3P4
2025-03-02 01:08:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074299533).
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 agm074299533
data_agm074299533
_cell_length_a 6.89564
_cell_length_b 6.89564
_cell_length_c 6.89580
_cell_angle_alpha 80.41041
_cell_angle_beta 99.58959
_cell_angle_gamma 60.01340
_cell_volume 267.78247
_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
Y1 Y 0.53457 0.53457 0.00000 1.00000
Y2 Y 0.86805 0.86805 0.00000 1.00000
Y3 Y 0.03394 0.03394 0.50000 1.00000
Tm1 Tm 0.20065 0.20065 0.00000 1.00000
Tm2 Tm 0.36801 0.36801 0.50000 1.00000
Tm3 Tm 0.70124 0.70124 0.50000 1.00000
P1 P 0.45050 0.95395 0.74843 1.00000
P2 P 0.95395 0.45050 0.25157 1.00000
P3 P 0.28727 0.78386 0.25153 1.00000
P4 P 0.78386 0.28727 0.74847 1.00000
P5 P 0.61352 0.11737 0.25126 1.00000
P6 P 0.11737 0.61352 0.74874 1.00000
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