SrInB4H3O10
Alexandria ALEXAlex-ID: agm006322334 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4E10_1_spg2
Sr2B5HO10 In(HO)3 InBO3 SrB8H4O15
2024-12-31 07:16:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006322334).
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 agm006322334
data_agm006322334
_cell_length_a 7.09506
_cell_length_b 7.22434
_cell_length_c 10.09498
_cell_angle_alpha 89.72870
_cell_angle_beta 109.08653
_cell_angle_gamma 118.42959
_cell_volume 422.87096
_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
Sr1 Sr 0.70304 0.94035 0.29024 1.00000
Sr2 Sr 0.29696 0.05965 0.70976 1.00000
In1 In 0.09772 0.63706 0.37904 1.00000
In2 In 0.90228 0.36294 0.62096 1.00000
B1 B 0.59638 0.29891 0.28494 1.00000
B2 B 0.40362 0.70109 0.71506 1.00000
B3 B 0.39384 0.47540 0.33695 1.00000
B4 B 0.60616 0.52460 0.66305 1.00000
B5 B 0.24845 0.10053 0.35067 1.00000
B6 B 0.75155 0.89947 0.64933 1.00000
B7 B 0.74725 0.36918 0.07984 1.00000
B8 B 0.25275 0.63082 0.92016 1.00000
H1 H 0.82742 0.35261 0.90890 1.00000
H2 H 0.17258 0.64739 0.09110 1.00000
H3 H 0.69276 0.84855 0.99560 1.00000
H4 H 0.30724 0.15145 0.00440 1.00000
H5 H 0.86593 0.77636 0.09164 1.00000
H6 H 0.13407 0.22364 0.90836 1.00000
O1 O 0.56722 0.48608 0.29867 1.00000
O2 O 0.43278 0.51392 0.70133 1.00000
O3 O 0.39877 0.66065 0.36964 1.00000
O4 O 0.60123 0.33935 0.63036 1.00000
O5 O 0.21803 0.27937 0.34619 1.00000
O6 O 0.78197 0.72063 0.65381 1.00000
O7 O 0.10437 0.93213 0.39766 1.00000
O8 O 0.89563 0.06787 0.60234 1.00000
O9 O 0.41671 0.10240 0.31130 1.00000
O10 O 0.58329 0.89760 0.68870 1.00000
O11 O 0.82094 0.33950 0.38935 1.00000
O12 O 0.17906 0.66050 0.61065 1.00000
O13 O 0.58706 0.24579 0.13998 1.00000
O14 O 0.41294 0.75421 0.86002 1.00000
O15 O 0.69176 0.28608 0.93955 1.00000
O16 O 0.30824 0.71392 0.06045 1.00000
O17 O 0.94541 0.55891 0.14898 1.00000
O18 O 0.05459 0.44109 0.85102 1.00000
O19 O 0.81714 0.88366 0.08946 1.00000
O20 O 0.18286 0.11634 0.91054 1.00000
