Tb7Rh3

传统材料 TRA

MP-ID: mp-1106174 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Tb7Rh3

MP-ID

mp-1106174

Elements

Sites

Density

9.1582

g/cm³

Volume

515.37

Å³

Cell a

6.1977

Cell b

9.7990

Cell c

9.7990

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
17.72	5.0051	6.8	(1,-1,0,0)
17.72	5.0051	6.8	(1,0,-1,-1)
17.72	5.0050	6.9	(1,1,-2,-1)
17.72	5.0050	6.8	(1,-1,0,1)
17.72	5.0049	6.8	(1,1,-2,0)
17.72	5.0049	6.8	(1,0,-1,1)
18.11	4.8995	3.1	(0,2,-2,-1)
18.11	4.8995	3.1	(0,1,-1,-2)
18.11	4.8995	3.1	(0,1,-1,1)
25.44	3.5012	1.2	(1,-2,1,0)
25.44	3.5012	1.2	(1,0,-1,-2)
25.44	3.5012	1.2	(1,2,-3,-2)
25.44	3.5012	1.2	(1,-2,1,2)
25.44	3.5011	1.2	(1,2,-3,0)
25.44	3.5011	1.2	(1,0,-1,2)
27.81	3.2075	14.2	(0,3,-3,-2)
27.81	3.2075	14.2	(0,3,-3,-1)
27.81	3.2075	14.2	(0,2,-2,-3)
27.81	3.2075	14.2	(0,1,-1,-3)
27.81	3.2075	14.2	(0,2,-2,1)
27.81	3.2075	14.2	(0,1,-1,2)
28.81	3.0988	18.8	(2,0,-2,0)
30.72	2.9109	100.0	(2,0,-2,-1)
30.72	2.9108	50.1	(2,1,-3,-1)

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Energy Properties

Formation Energy/atom

-0.59933

eV/atom

Energy/atom

-6.05513

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.7518

eV/atom

Volume/atom

25.77

Å³

c/a Ratio

1.5811

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.723

Family

Binary Alloy

Matrix Element

Tb · 0.700

Related Tasks

Related computation task IDs (5)

aaadnriu aaadrizy aaaelboa aaaeskng aaafckqz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1106174

Reference Citation

The crystal structure and related material properties of Tb7Rh3 were obtained from the Materials Project database (MP-ID: mp-1106174, 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_Tb7Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19766051
_cell_length_b   9.79902498
_cell_length_c   9.79899665
_cell_angle_alpha   120.00022492
_cell_angle_beta   90.00107083
_cell_angle_gamma   90.00095888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7Rh3
_chemical_formula_sum   'Tb14 Rh6'
_cell_volume   515.37328705
_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  0.46163455  0.33337882  0.66665826  1.0
  Tb  Tb1  1  0.96164499  0.66662618  0.33334821  1.0
  Tb  Tb2  1  0.25373777  0.12379201  0.87625385  1.0
  Tb  Tb3  1  0.25371549  0.75242535  0.87618774  1.0
  Tb  Tb4  1  0.25373475  0.12383078  0.24756667  1.0
  Tb  Tb5  1  0.75373048  0.87624599  0.12373541  1.0
  Tb  Tb6  1  0.75371160  0.24753210  0.12379482  1.0
  Tb  Tb7  1  0.75372346  0.87620335  0.75248224  1.0
  Tb  Tb8  1  0.44202320  0.54105695  0.45894789  1.0
  Tb  Tb9  1  0.44208787  0.91788210  0.45894741  1.0
  Tb  Tb10  1  0.44204673  0.54105856  0.08212660  1.0
  Tb  Tb11  1  0.94202544  0.45887209  0.54111076  1.0
  Tb  Tb12  1  0.94209674  0.08225265  0.54111926  1.0
  Tb  Tb13  1  0.94204320  0.45887031  0.91774244  1.0
  Rh  Rh14  1  0.18133765  0.81056257  0.18941578  1.0
  Rh  Rh15  1  0.18133392  0.37887777  0.18948629  1.0
  Rh  Rh16  1  0.18135103  0.81050908  0.62113121  1.0
  Rh  Rh17  1  0.68134121  0.18950332  0.81049277  1.0
  Rh  Rh18  1  0.68134027  0.62095936  0.81042438  1.0
  Rh  Rh19  1  0.68133964  0.18956266  0.37902798  1.0

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