YTm2P3
Alexandria ALEXAlex-ID: agm076863353 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_571_spg15
Y3TmP4 YTm3P4
2025-03-09 04:55:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076863353).
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 agm076863353
data_agm076863353
_cell_length_a 6.87506
_cell_length_b 7.94305
_cell_length_c 10.50708
_cell_angle_alpha 100.88918
_cell_angle_beta 109.10846
_cell_angle_gamma 90.01019
_cell_volume 531.21294
_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 0.00049 0.83265 0.83263 1.00000
Y2 Y 0.49966 0.91634 0.16724 1.00000
Y3 Y 0.50034 0.08366 0.83276 1.00000
Y4 Y 0.99951 0.16735 0.16737 1.00000
Tm1 Tm 0.00135 0.66638 0.16751 1.00000
Tm2 Tm 0.49885 0.58265 0.83237 1.00000
Tm3 Tm 0.50115 0.41735 0.16763 1.00000
Tm4 Tm 0.99865 0.33362 0.83249 1.00000
Tm5 Tm 0.49825 0.25031 0.49989 1.00000
Tm6 Tm 0.00000 0.00000 0.50000 1.00000
Tm7 Tm 0.50175 0.74969 0.50011 1.00000
Tm8 Tm 0.00000 0.50000 0.50000 1.00000
P1 P 0.24753 0.29281 0.66541 1.00000
P2 P 0.25201 0.46037 0.33463 1.00000
P3 P 0.74799 0.53963 0.66537 1.00000
P4 P 0.75247 0.70719 0.33459 1.00000
P5 P 0.75010 0.87151 0.00000 1.00000
P6 P 0.24990 0.12849 1.00000 1.00000
P7 P 0.24993 0.95722 0.33575 1.00000
P8 P 0.25058 0.78961 0.66426 1.00000
P9 P 0.75007 0.04278 0.66425 1.00000
P10 P 0.74942 0.21039 0.33574 1.00000
P11 P 0.74993 0.37852 0.00002 1.00000
P12 P 0.25007 0.62148 0.99998 1.00000
