Ce7Rh3

传统材料 TRA

MP-ID: mp-1106144 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Ce7Rh3

MP-ID

mp-1106144

Elements

Sites

Density

8.3655

g/cm³

Volume

511.94

Å³

Cell a

6.1371

Cell b

9.8150

Cell c

9.8150

α Angle

120.01

β Angle

90.00

γ Angle

90.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

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
10.41	8.4991	1.3	(0,1,-1,0)
17.83	4.9758	2.2	(1,1,-2,-1)
17.83	4.9755	4.4	(1,1,-2,0)
18.08	4.9075	8.1	(0,2,-2,-1)
18.08	4.9067	4.1	(0,1,-1,1)
20.90	4.2495	1.5	(0,2,-2,0)
27.77	3.2128	9.7	(0,3,-3,-2)
27.77	3.2126	9.7	(0,3,-3,-1)
27.77	3.2122	9.7	(0,2,-2,1)
29.10	3.0685	8.3	(2,0,-2,0)
30.98	2.8862	39.5	(2,1,-3,-1)
30.98	2.8862	78.8	(2,1,-3,0)
31.43	2.8464	82.5	(1,3,-4,-2)
31.43	2.8462	82.6	(1,3,-4,-1)
31.43	2.8459	82.5	(1,2,-3,1)
31.58	2.8335	15.7	(0,3,-3,-3)
31.58	2.8330	31.2	(0,3,-3,0)
34.47	2.6018	18.4	(2,2,-4,-1)
34.47	2.6017	9.2	(2,1,-3,1)
34.88	2.5725	49.8	(1,3,-4,-3)
34.88	2.5722	100.0	(1,3,-4,0)
36.10	2.4879	49.5	(2,2,-4,-2)
36.10	2.4878	98.9	(2,2,-4,0)
36.62	2.4537	89.7	(0,4,-4,-2)

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Energy Properties

Formation Energy/atom

-0.47271

eV/atom

Energy/atom

-29.30202

eV/atom

Energy above Hull

0.0101

eV/atom

Uncorrected Energy

-6.8161

eV/atom

Volume/atom

25.60

Å³

c/a Ratio

1.5993

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.4323

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.018420

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.716

Family

Binary Alloy

Matrix Element

Ce · 0.700

Related Tasks

Related computation task IDs (1)

aaaefllt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1106144

Reference Citation

The crystal structure and related material properties of Ce7Rh3 were obtained from the Materials Project database (MP-ID: mp-1106144, 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_Ce7Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13704800
_cell_length_b   9.81497144
_cell_length_c   9.81497144
_cell_angle_alpha   120.01082142
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce7Rh3
_chemical_formula_sum   'Ce14 Rh6'
_cell_volume   511.94212216
_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
  Ce  Ce0  1  0.44155200  0.33324600  0.66675400  1.0
  Ce  Ce1  1  0.94155200  0.66675400  0.33324600  1.0
  Ce  Ce2  1  0.24567800  0.12844500  0.87155500  1.0
  Ce  Ce3  1  0.24555700  0.74315300  0.87163200  1.0
  Ce  Ce4  1  0.24555700  0.12836800  0.25684700  1.0
  Ce  Ce5  1  0.74567800  0.87155500  0.12844500  1.0
  Ce  Ce6  1  0.74555700  0.25684700  0.12836800  1.0
  Ce  Ce7  1  0.74555700  0.87163200  0.74315300  1.0
  Ce  Ce8  1  0.45788800  0.53859000  0.46141000  1.0
  Ce  Ce9  1  0.45819000  0.92298300  0.46151600  1.0
  Ce  Ce10  1  0.45819000  0.53848400  0.07701700  1.0
  Ce  Ce11  1  0.95788800  0.46141000  0.53859000  1.0
  Ce  Ce12  1  0.95819000  0.07701700  0.53848400  1.0
  Ce  Ce13  1  0.95819000  0.46151600  0.92298300  1.0
  Rh  Rh14  1  0.20201800  0.81408700  0.18591300  1.0
  Rh  Rh15  1  0.20218500  0.37189900  0.18601100  1.0
  Rh  Rh16  1  0.20218500  0.81398900  0.62810100  1.0
  Rh  Rh17  1  0.70201800  0.18591300  0.81408700  1.0
  Rh  Rh18  1  0.70218500  0.62810100  0.81398900  1.0
  Rh  Rh19  1  0.70218500  0.18601100  0.37189900  1.0

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