TaCo
传统材料 TRAMP-ID: mp-1009826 · Space group: Pm-3m (#221)
Basic Information
Formula
TaCo
MP-ID
mp-1009826
Elements
2
Sites
2
Density
13.7883
g/cm³
Volume
28.89
ų
Cell a
3.0684
Å
Cell b
3.0684
Å
Cell c
3.0684
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
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 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 29.10 | 3.0684 | 30.0 | (1,0,0) |
| 41.63 | 2.1697 | 100.0 | (1,1,0) |
| 51.59 | 1.7715 | 8.8 | (1,1,1) |
| 60.33 | 1.5342 | 16.5 | (2,0,0) |
| 68.36 | 1.3722 | 11.9 | (2,1,0) |
| 75.97 | 1.2527 | 33.3 | (2,1,1) |
Energy Properties
Formation Energy/atom
-0.10181
eV/atom
Energy/atom
-9.60198
eV/atom
Energy above Hull
0.1351
eV/atom
Uncorrected Energy
-9.6020
eV/atom
Volume/atom
14.44
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
1.7980
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.062240
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ta · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.534
Family
Binary Alloy
Matrix Element
Ta · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009826
Reference Citation
The crystal structure and related material properties of TaCo were obtained from the Materials Project database (MP-ID: mp-1009826, 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_TaCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06839900
_cell_length_b 3.06839900
_cell_length_c 3.06839900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaCo
_chemical_formula_sum 'Ta1 Co1'
_cell_volume 28.88919881
_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
Ta Ta0 1 0.00000000 0.00000000 0.00000000 1.0
Co Co1 1 0.50000000 0.50000000 0.50000000 1.0
