Navigation

HEAS Data Platform · Materials Science Database

AlSbO4

Elasticity Data ELA

MP-ID: mp-676861 · Space group: Cmmm (#65)

Basic Information

Formula
AlSbO4
MP-ID
mp-676861
Elements
3
Sites
6
Density
5.7899
g/cm³
Volume
61.01
ų
Cell a
3.0145
Å
Cell b
4.4995
Å
Cell c
4.4995
Å
α Angle
91.38
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.74 4.4982 100.0 (0,1,0)
27.71 3.2199 64.6 (0,1,-1)
28.40 3.1430 63.3 (0,1,1)
29.63 3.0145 19.8 (1,0,0)
35.86 2.5042 85.9 (1,1,0)
40.09 2.2491 19.2 (0,2,0)
41.01 2.2006 43.1 (1,1,-1)
41.51 2.1756 2.8 (1,1,1)
44.61 2.0314 5.0 (0,2,-1)
45.52 1.9925 23.6 (0,2,1)
50.64 1.8027 18.8 (1,2,0)
54.47 1.6846 40.6 (1,2,-1)
55.26 1.6622 41.6 (1,2,1)
57.22 1.6099 11.8 (0,2,-2)
58.76 1.5715 9.8 (0,2,2)
61.52 1.5073 11.1 (2,0,0)
61.88 1.4994 5.1 (0,3,0)
65.10 1.4329 8.9 (0,3,-1)
65.29 1.4292 7.8 (2,1,0)
65.76 1.4201 5.5 (1,2,-2)
66.17 1.4123 7.2 (0,3,1)
67.18 1.3935 2.1 (1,2,2)
68.77 1.3651 9.1 (2,1,-1)
69.12 1.3591 9.3 (2,1,1)
Get direct link

Energy Properties

Formation Energy/atom
-2.54337
eV/atom
Energy/atom
-7.15444
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-11.7460
eV/atom
Volume/atom
10.17
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.618
eV
Direct Gap
Yes
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
197.857
GPa
GVRH
120.349
GPa
Young's Modulus E
300.184
GPa
Poisson Ratio ν
0.247
Pugh Ratio K/G
1.644
Vickers Hardness Est.
15.428
GPa
Ductility
Ductile
Anisotropy
1.142
Lame λ
117.624
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.1420
Homogeneous Poisson ν
0.2470
Debye Temperature
783.2
K
Sound Velocity
5,059.9
m/s
Homogeneity
0.2470

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-676861
Reference Citation

The crystal structure and related material properties of AlSbO4 were obtained from the Materials Project database (MP-ID: mp-676861, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_AlSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01452656
_cell_length_b   4.49953692
_cell_length_c   4.49953692
_cell_angle_alpha   91.38428452
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSbO4
_chemical_formula_sum   'Al1 Sb1 O4'
_cell_volume   61.01378781
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.50000000  0.50000000  0.50000000  1.0
  Sb  Sb1  1  0.00000000  0.00000000  -0.00000000  1.0
  O  O2  1  0.00000000  0.68922426  0.68922426  1.0
  O  O3  1  0.50000000  0.20195179  0.79804821  1.0
  O  O4  1  0.50000000  0.79804821  0.20195179  1.0
  O  O5  1  -0.00000000  0.31077574  0.31077574  1.0
Get direct link