Basic Information
Formula
BW
MP-ID
mp-1008487
Elements
2
Sites
4
Density
15.5755
g/cm³
Volume
41.50
ų
Cell a
3.0951
Å
Cell b
3.1618
Å
Cell c
4.5262
Å
α Angle
110.44
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 20.95 | 4.2411 | 9.2 | (0,0,1) |
| 30.17 | 2.9627 | 58.3 | (0,1,-1) |
| 35.92 | 2.5001 | 100.0 | (1,0,1) |
| 42.23 | 2.1402 | 94.0 | (1,1,-1) |
| 42.64 | 2.1206 | 27.4 | (0,0,2) |
| 42.91 | 2.1076 | 60.3 | (0,1,-2) |
| 52.30 | 1.7494 | 10.2 | (1,0,2) |
| 52.53 | 1.7421 | 14.9 | (1,1,-2) |
| 58.37 | 1.5809 | 15.2 | (0,2,-1) |
| 59.76 | 1.5476 | 14.2 | (2,0,0) |
| 62.72 | 1.4813 | 1.1 | (0,2,-2) |
| 64.05 | 1.4538 | 1.0 | (2,0,1) |
| 66.09 | 1.4137 | 4.1 | (0,0,3) |
| 68.39 | 1.3717 | 12.0 | (2,1,-1) |
| 69.88 | 1.3461 | 15.1 | (1,1,-3) |
| 69.88 | 1.3461 | 15.1 | (1,1,2) |
| 70.47 | 1.3362 | 29.0 | (1,2,-2) |
| 73.67 | 1.2859 | 8.4 | (1,0,3) |
| 74.93 | 1.2675 | 5.3 | (0,2,-3) |
| 74.93 | 1.2675 | 5.3 | (0,2,1) |
| 76.15 | 1.2501 | 10.1 | (2,0,2) |
| 76.34 | 1.2474 | 22.5 | (2,1,-2) |
| 82.18 | 1.1729 | 2.8 | (1,2,-3) |
| 82.18 | 1.1729 | 2.8 | (1,2,1) |
Energy Properties
Formation Energy/atom
-0.34566
eV/atom
Energy/atom
-29.70273
eV/atom
Energy above Hull
0.0141
eV/atom
Uncorrected Energy
-29.7027
eV/atom
Volume/atom
10.38
ų
c/a Ratio
1.4624
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
339.625
GPa
GVRH
188.232
GPa
Young's Modulus E
476.639
GPa
Poisson Ratio ν
0.266
Pugh Ratio K/G
1.804
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.271
Lame λ
214.137
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
B · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.615
Family
Binary Alloy
Matrix Element
B · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008487
Reference Citation
The crystal structure and related material properties of BW were obtained from the Materials Project database (MP-ID: mp-1008487, 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
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Raw CIF Data
# generated using pymatgen
data_BW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09512650
_cell_length_b 3.16181212
_cell_length_c 4.52618247
_cell_angle_alpha 110.44330392
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BW
_chemical_formula_sum 'B2 W2'
_cell_volume 41.50444223
_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
B B0 1 0.25000000 0.43897715 0.87795531 1.0
B B1 1 0.75000000 0.56102285 0.12204469 1.0
W W2 1 0.25000000 0.14461526 0.28922853 1.0
W W3 1 0.75000000 0.85538474 0.71077147 1.0
