Basic Information
Formula
As
MP-ID
mp-10
Elements
1
Sites
2
Density
6.2949
g/cm³
Volume
39.53
ų
Cell a
3.8236
Å
Cell b
3.8236
Å
Cell c
3.8236
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 33.13 | 2.7037 | 100.0 | (1,1,0) |
| 47.56 | 1.9118 | 47.7 | (1,2,1) |
| 47.56 | 1.9118 | 23.8 | (2,1,1) |
| 59.19 | 1.5610 | 6.1 | (0,2,0) |
| 59.19 | 1.5610 | 18.4 | (2,2,2) |
| 69.54 | 1.3518 | 7.5 | (2,0,2) |
| 69.54 | 1.3518 | 3.8 | (2,2,0) |
| 79.22 | 1.2091 | 10.5 | (2,1,3) |
| 79.22 | 1.2091 | 15.7 | (2,-1,1) |
| 79.22 | 1.2091 | 5.2 | (3,2,1) |
| 88.60 | 1.1038 | 14.2 | (1,3,0) |
| 88.60 | 1.1038 | 8.1 | (3,0,1) |
| 88.60 | 1.1038 | 2.0 | (3,1,0) |
Energy Properties
Formation Energy/atom
0.11240
eV/atom
Energy/atom
-14.59513
eV/atom
Energy above Hull
0.1124
eV/atom
Uncorrected Energy
-4.5467
eV/atom
Volume/atom
19.76
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
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
79.731
GPa
GVRH
32.380
GPa
Young's Modulus E
85.558
GPa
Poisson Ratio ν
0.321
Pugh Ratio K/G
2.462
Vickers Hardness Est.
2.329
GPa
Ductility
Brittle
Anisotropy
2.487
Lame λ
58.144
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
As · 1.000
Element Family
Metalloid-Nonmetal
Solute Fraction
0.000
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.4870
Homogeneous Poisson ν
0.3210
Homogeneity
0.3210
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10
Reference Citation
The crystal structure and related material properties of As were obtained from the Materials Project database (MP-ID: mp-10, 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
3D Crystal Structure Rendering
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82358303
_cell_length_b 3.82358352
_cell_length_c 3.82358367
_cell_angle_alpha 59.99999860
_cell_angle_beta 59.99999438
_cell_angle_gamma 60.00000547
_symmetry_Int_Tables_number 1
_chemical_formula_structural As
_chemical_formula_sum As2
_cell_volume 39.52725919
_cell_formula_units_Z 2
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
As As0 1 0.25000000 0.25000000 0.25000000 1.0
As As1 1 0.75000000 0.75000000 0.75000000 1.0
