Tb12Co7
传统材料 TRAMP-ID: mp-30967 · Space group: P2_1/c (#14)
Basic Information
Formula
Tb12Co7
MP-ID
mp-30967
Elements
2
Sites
38
Density
9.0792
g/cm³
Volume
848.50
ų
Cell a
11.3036
Å
Cell b
8.3189
Å
Cell c
11.0805
Å
α Angle
54.52
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
Yes
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 |
|---|---|---|---|
| 12.55 | 7.0520 | 3.6 | (1,0,1) |
| 13.07 | 6.7745 | 2.5 | (0,1,0) |
| 21.83 | 4.0713 | 1.1 | (0,2,2) |
| 22.54 | 3.9453 | 2.7 | (2,1,2) |
| 23.22 | 3.8304 | 3.6 | (1,2,2) |
| 25.26 | 3.5260 | 3.0 | (2,0,2) |
| 25.62 | 3.4769 | 5.4 | (3,0,1) |
| 25.69 | 3.4672 | 11.8 | (1,1,3) |
| 25.88 | 3.4428 | 8.8 | (2,1,-1) |
| 26.06 | 3.4195 | 1.1 | (3,1,1) |
| 26.31 | 3.3872 | 48.3 | (0,2,0) |
| 27.16 | 3.2832 | 13.1 | (2,2,1) |
| 28.70 | 3.1102 | 30.6 | (3,1,2) |
| 29.17 | 3.0619 | 26.3 | (2,1,3) |
| 29.48 | 3.0304 | 1.8 | (0,1,-2) |
| 30.32 | 2.9480 | 5.0 | (2,2,3) |
| 30.54 | 2.9270 | 16.2 | (1,1,-2) |
| 30.76 | 2.9067 | 48.3 | (1,0,3) |
| 31.44 | 2.8456 | 57.0 | (3,1,-1) |
| 31.66 | 2.8259 | 1.1 | (4,0,0) |
| 32.37 | 2.7653 | 2.9 | (3,2,2) |
| 32.52 | 2.7534 | 68.9 | (3,2,1) |
| 33.22 | 2.6968 | 87.3 | (4,0,1) |
| 33.42 | 2.6810 | 39.8 | (1,3,2) |
Energy Properties
Formation Energy/atom
-0.14882
eV/atom
Energy/atom
-5.70610
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-5.7061
eV/atom
Volume/atom
22.33
ų
c/a Ratio
0.9803
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.2603
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000310
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.632
Element Family
N/A
Solute Fraction
0.368
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.683
Family
Binary Alloy
Matrix Element
Tb · 0.632
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30967
Reference Citation
The crystal structure and related material properties of Tb12Co7 were obtained from the Materials Project database (MP-ID: mp-30967, 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_Tb12Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.30359800
_cell_length_b 8.31890700
_cell_length_c 11.08054103
_cell_angle_alpha 54.52279816
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb12Co7
_chemical_formula_sum 'Tb24 Co14'
_cell_volume 848.50261053
_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
Tb Tb0 1 0.70560000 0.23386400 0.53921300 1.0
Tb Tb1 1 0.20560000 0.76613600 0.96078700 1.0
Tb Tb2 1 0.84042500 0.50202100 0.65843700 1.0
Tb Tb3 1 0.34042500 0.49797900 0.84156300 1.0
Tb Tb4 1 0.15957500 0.49797900 0.34156300 1.0
Tb Tb5 1 0.65957500 0.50202100 0.15843700 1.0
Tb Tb6 1 0.00355500 0.84188800 0.35352800 1.0
Tb Tb7 1 0.50355500 0.15811200 0.14647200 1.0
Tb Tb8 1 0.99644500 0.15811200 0.64647200 1.0
Tb Tb9 1 0.49644500 0.84188800 0.85352800 1.0
Tb Tb10 1 0.79440000 0.23386400 0.03921300 1.0
Tb Tb11 1 0.29440000 0.76613600 0.46078700 1.0
Tb Tb12 1 0.92851400 0.76785300 0.08562300 1.0
Tb Tb13 1 0.42851400 0.23214700 0.41437700 1.0
Tb Tb14 1 0.07148600 0.23214700 0.91437700 1.0
Tb Tb15 1 0.57148600 0.76785300 0.58562300 1.0
Tb Tb16 1 0.30083100 0.24861400 0.67638500 1.0
Tb Tb17 1 0.80083100 0.75138600 0.82361500 1.0
Tb Tb18 1 0.69916900 0.75138600 0.32361500 1.0
Tb Tb19 1 0.19916900 0.24861400 0.17638500 1.0
Tb Tb20 1 0.93033400 0.26212200 0.30873400 1.0
Tb Tb21 1 0.43033400 0.73787800 0.19126600 1.0
Tb Tb22 1 0.06966600 0.73787800 0.69126600 1.0
Tb Tb23 1 0.56966600 0.26212200 0.80873400 1.0
Co Co24 1 0.50000000 0.50000000 0.50000000 1.0
Co Co25 1 0.00000000 0.50000000 0.00000000 1.0
Co Co26 1 0.67839000 0.90602300 0.02766200 1.0
Co Co27 1 0.17839000 0.09397700 0.47233800 1.0
Co Co28 1 0.32161000 0.09397700 0.97233800 1.0
Co Co29 1 0.82161000 0.90602300 0.52766200 1.0
Co Co30 1 0.40033100 0.49559000 0.09973000 1.0
Co Co31 1 0.90033100 0.50441000 0.40027000 1.0
Co Co32 1 0.59966900 0.50441000 0.90027000 1.0
Co Co33 1 0.09966900 0.49559000 0.59973000 1.0
Co Co34 1 0.81079800 0.09888500 0.84108600 1.0
Co Co35 1 0.31079800 0.90111500 0.65891400 1.0
Co Co36 1 0.18920200 0.90111500 0.15891400 1.0
Co Co37 1 0.68920200 0.09888500 0.34108600 1.0
