PrRh

传统材料 TRA

MP-ID: mp-999305 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

PrRh

MP-ID

mp-999305

Elements

Sites

Density

8.7038

g/cm³

Volume

93.03

Å³

Cell a

3.9804

Cell b

4.2020

Cell c

5.9079

α Angle

90.00

β Angle

70.30

γ Angle

90.00

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
15.93	5.5621	6.2	(0,0,1)
26.59	3.3528	12.9	(0,1,1)
32.00	2.7971	100.0	(1,1,1)
32.00	2.7968	100.0	(1,1,0)
32.19	2.7810	63.5	(0,0,2)
33.01	2.7136	26.5	(1,0,2)
33.02	2.7128	26.4	(1,0,-1)
38.83	2.3191	47.0	(0,1,2)
39.53	2.2796	62.0	(1,1,2)
39.54	2.2791	62.1	(1,1,-1)
43.05	2.1010	50.6	(0,2,0)
45.58	1.9902	42.9	(2,0,1)
46.77	1.9423	1.8	(1,0,3)
46.78	1.9418	1.8	(1,0,-2)
51.86	1.7631	7.1	(1,1,3)
51.87	1.7627	7.1	(1,1,-2)
53.54	1.7115	2.0	(2,1,2)
53.55	1.7113	2.0	(2,1,0)
54.06	1.6963	11.0	(0,1,3)
54.76	1.6764	27.8	(0,2,2)
55.30	1.6613	12.2	(1,2,2)
55.30	1.6611	12.1	(1,2,-1)
56.88	1.6187	12.4	(2,0,3)
56.90	1.6183	12.4	(2,0,-1)

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Energy Properties

Formation Energy/atom

-0.64049

eV/atom

Energy/atom

-6.72038

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.4560

eV/atom

Volume/atom

23.26

Å³

c/a Ratio

1.4842

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

Pr · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Pr · 0.500

Related Tasks

Related computation task IDs (5)

aaaciqla aaaeljxy aaaeuptj aaafatqr aaafdjei

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-999305

Reference Citation

The crystal structure and related material properties of PrRh were obtained from the Materials Project database (MP-ID: mp-999305, 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_PrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98044116
_cell_length_b   4.20201283
_cell_length_c   5.90793325
_cell_angle_alpha   90.00000000
_cell_angle_beta   70.29791129
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrRh
_chemical_formula_sum   'Pr2 Rh2'
_cell_volume   93.03047320
_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
  Pr  Pr0  1  0.14089148  0.75000000  0.71808903  1.0
  Pr  Pr1  1  0.85910852  0.25000000  0.28191097  1.0
  Rh  Rh2  1  0.41577170  0.75000000  0.16825044  1.0
  Rh  Rh3  1  0.58422830  0.25000000  0.83174956  1.0

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