Sr10Ho5Pt4RhO30
Alexandria ALEXAlex-ID: agm011111477 · Space group: C2/m (#12)
Basic Information
Formula
Sr10Ho5Pt4RhO30
Alex-ID
agm011111477
Elements
5
Sites
50
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
705.33
ų
Cell a
5.8626
Å
Cell b
5.8260
Å
Cell c
23.9527
Å
α angle
90.09
°
β angle
96.16
°
γ angle
119.67
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Sr10Ho5Pt4RhO30
Sr
10.00 · 20.0%
Ho
5.00 · 10.0%
Pt
4.00 · 8.0%
Rh
1.00 · 2.0%
O
30.00 · 60.0%
Energy & Stability
Energy above hull
0.0041
eV/atom
Formation energy
-2.6844
eV/atom
Corrected total energy
-354.4595
eV
Raw total energy
-333.3908
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0041
eV
DOS at Fermi level
32.4745
Total magnetisation
5.4364
μB
Additional Information
Prototype ID
AB4C5D10E30_4_spg2
Decomposition
Sr2HoPtO6 Sr2HoRhO6
Computed at
2024-12-12 19:02:16.769396
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011111477).
Reference
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
BibTeX
@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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm011111477
data_agm011111477
_cell_length_a 5.86260
_cell_length_b 5.82598
_cell_length_c 23.95271
_cell_angle_alpha 90.08656
_cell_angle_beta 96.15897
_cell_angle_gamma 119.67065
_cell_volume 705.33051
_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 0.91212 0.45495 0.35183 1.00000
Sr2 Sr 0.11212 0.05490 0.15181 1.00000
Sr3 Sr 0.31193 0.65502 0.95145 1.00000
Sr4 Sr 0.51221 0.25541 0.75168 1.00000
Sr5 Sr 0.71319 0.85577 0.55126 1.00000
Sr6 Sr 0.48779 0.74459 0.24832 1.00000
Sr7 Sr 0.68807 0.34498 0.04855 1.00000
Sr8 Sr 0.88788 0.94510 0.84819 1.00000
Sr9 Sr 0.08788 0.54505 0.64817 1.00000
Sr10 Sr 0.28681 0.14423 0.44874 1.00000
Ho1 Ho 0.80009 0.39988 0.20030 1.00000
Ho2 Ho 0.00000 0.00000 0.00000 1.00000
Ho3 Ho 0.19991 0.60012 0.79970 1.00000
Ho4 Ho 0.40080 0.20042 0.60004 1.00000
Ho5 Ho 0.59920 0.79958 0.39996 1.00000
Pt1 Pt 0.19984 0.09986 0.30047 1.00000
Pt2 Pt 0.40013 0.70000 0.10011 1.00000
Pt3 Pt 0.59987 0.30000 0.89989 1.00000
Pt4 Pt 0.80016 0.90014 0.69953 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
O1 O 0.06131 0.79180 0.24412 1.00000
O2 O 0.26115 0.39212 0.04375 1.00000
O3 O 0.46085 0.99204 0.84352 1.00000
O4 O 0.66237 0.59288 0.64284 1.00000
O5 O 0.86221 0.19329 0.44456 1.00000
O6 O 0.54665 0.27163 0.26900 1.00000
O7 O 0.74652 0.87173 0.06859 1.00000
O8 O 0.94602 0.47152 0.86824 1.00000
O9 O 0.14731 0.07196 0.66811 1.00000
O10 O 0.34296 0.67020 0.46884 1.00000
O11 O 0.33763 0.40712 0.35716 1.00000
O12 O 0.53915 0.00796 0.15648 1.00000
O13 O 0.73885 0.60788 0.95625 1.00000
O14 O 0.93869 0.20820 0.75588 1.00000
O15 O 0.13779 0.80671 0.55544 1.00000
O16 O 0.85269 0.92804 0.33189 1.00000
O17 O 0.05398 0.52848 0.13176 1.00000
O18 O 0.25348 0.12827 0.93141 1.00000
O19 O 0.45335 0.72837 0.73100 1.00000
O20 O 0.65704 0.32980 0.53116 1.00000
O21 O 0.53544 0.52538 0.15575 1.00000
O22 O 0.73511 0.12545 0.95553 1.00000
O23 O 0.93497 0.72553 0.75530 1.00000
O24 O 0.13477 0.32647 0.55481 1.00000
O25 O 0.33387 0.92532 0.35659 1.00000
O26 O 0.86523 0.67353 0.44519 1.00000
O27 O 0.06503 0.27447 0.24470 1.00000
O28 O 0.26489 0.87455 0.04447 1.00000
O29 O 0.46456 0.47462 0.84425 1.00000
O30 O 0.66613 0.07468 0.64341 1.00000
