RbTm(PO3)4
Alexandria ALEXAlex-ID: agm022061077 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_11_spg15
Tm(PO3)3 RbPO3
2024-11-17 09:49:52.315405
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022061077).
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 agm022061077
data_agm022061077
_cell_length_a 7.55813
_cell_length_b 7.55813
_cell_length_c 10.53627
_cell_angle_alpha 78.68364
_cell_angle_beta 78.68364
_cell_angle_gamma 116.58561
_cell_volume 499.32737
_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
Rb1 Rb 0.80689 0.19311 0.25000 1.00000
Rb2 Rb 0.19311 0.80689 0.75000 1.00000
Tm1 Tm 0.12267 0.87733 0.25000 1.00000
Tm2 Tm 0.87733 0.12267 0.75000 1.00000
P1 P 0.69836 0.75341 0.54995 1.00000
P2 P 0.38003 0.70871 0.01491 1.00000
P3 P 0.61997 0.29129 0.98509 1.00000
P4 P 0.24659 0.30164 0.95005 1.00000
P5 P 0.30164 0.24659 0.45005 1.00000
P6 P 0.75341 0.69836 0.04995 1.00000
P7 P 0.29129 0.61997 0.48509 1.00000
P8 P 0.70871 0.38003 0.51491 1.00000
O1 O 0.52081 0.26431 0.45480 1.00000
O2 O 0.90092 0.51981 0.39252 1.00000
O3 O 0.47919 0.73569 0.54520 1.00000
O4 O 0.30121 0.79499 0.38181 1.00000
O5 O 0.25625 0.16407 0.33605 1.00000
O6 O 0.48019 0.09908 0.10748 1.00000
O7 O 0.09908 0.48019 0.60748 1.00000
O8 O 0.86376 0.85193 0.90717 1.00000
O9 O 0.51981 0.90092 0.89252 1.00000
O10 O 0.26431 0.52081 0.95480 1.00000
O11 O 0.83593 0.74375 0.16395 1.00000
O12 O 0.20501 0.69879 0.11819 1.00000
O13 O 0.13624 0.14807 0.09283 1.00000
O14 O 0.74375 0.83593 0.66395 1.00000
O15 O 0.79499 0.30121 0.88181 1.00000
O16 O 0.51012 0.63830 0.09544 1.00000
O17 O 0.85193 0.86376 0.40717 1.00000
O18 O 0.73569 0.47919 0.04520 1.00000
O19 O 0.36170 0.48988 0.40456 1.00000
O20 O 0.14807 0.13624 0.59283 1.00000
O21 O 0.16407 0.25625 0.83605 1.00000
O22 O 0.69879 0.20501 0.61819 1.00000
O23 O 0.48988 0.36170 0.90456 1.00000
O24 O 0.63830 0.51012 0.59544 1.00000
