Pr7Rh3

传统材料 TRA

MP-ID: mp-1106086 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Pr7Rh3

MP-ID

mp-1106086

Elements

Sites

Density

7.3802

g/cm³

Volume

582.78

Å³

Cell a

6.3809

Cell b

10.2701

Cell c

10.2701

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

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
9.95	8.8931	1.2	(0,0,0,1)
17.10	5.1847	7.0	(1,1,-2,-1)
17.10	5.1844	14.0	(1,1,-2,0)
17.27	5.1350	4.1	(0,2,-2,-1)
17.27	5.1342	2.1	(0,1,-1,1)
19.97	4.4466	1.6	(0,0,0,2)
26.51	3.3618	9.4	(0,3,-3,-2)
26.52	3.3615	9.4	(0,3,-3,-1)
26.52	3.3611	9.4	(0,2,-2,1)
27.97	3.1904	7.3	(2,0,-2,0)
29.75	3.0031	38.4	(2,1,-3,-1)
29.75	3.0030	76.8	(2,1,-3,0)
30.05	2.9742	91.8	(1,3,-4,-2)
30.05	2.9741	91.9	(1,-1,0,3)
30.05	2.9738	91.8	(1,2,-3,1)
30.14	2.9649	16.9	(0,3,-3,-3)
30.15	2.9644	33.8	(0,3,-3,0)
33.06	2.7100	18.2	(2,2,-4,-1)
33.06	2.7098	9.1	(2,1,-3,1)
33.32	2.6888	50.1	(1,3,-4,-3)
33.33	2.6884	100.0	(1,0,-1,3)
34.60	2.5924	41.4	(2,2,-4,-2)
34.60	2.5922	82.7	(2,2,-4,0)
34.95	2.5675	73.2	(0,4,-4,-2)

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Energy Properties

Formation Energy/atom

-0.46578

eV/atom

Energy/atom

-6.03190

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-6.0319

eV/atom

Volume/atom

29.14

Å³

c/a Ratio

1.6095

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0069

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pr · 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

Pr · 0.700

Related Tasks

Related computation task IDs (1)

aaaegdtz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1106086

Reference Citation

The crystal structure and related material properties of Pr7Rh3 were obtained from the Materials Project database (MP-ID: mp-1106086, 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_Pr7Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38085000
_cell_length_b   10.27008077
_cell_length_c   10.27008077
_cell_angle_alpha   120.01149706
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr7Rh3
_chemical_formula_sum   'Pr14 Rh6'
_cell_volume   582.78257702
_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  0.46537300  0.33332400  0.66667600  1.0
  Pr  Pr1  1  0.96537300  0.66667600  0.33332400  1.0
  Pr  Pr2  1  0.25106900  0.12581600  0.87418400  1.0
  Pr  Pr3  1  0.25110800  0.74835700  0.87415000  1.0
  Pr  Pr4  1  0.25110800  0.12585000  0.25164300  1.0
  Pr  Pr5  1  0.75106900  0.87418400  0.12581600  1.0
  Pr  Pr6  1  0.75110800  0.25164300  0.12585000  1.0
  Pr  Pr7  1  0.75110800  0.87415000  0.74835700  1.0
  Pr  Pr8  1  0.44127900  0.54175900  0.45824100  1.0
  Pr  Pr9  1  0.44120600  0.91639600  0.45818500  1.0
  Pr  Pr10  1  0.44120600  0.54181500  0.08360400  1.0
  Pr  Pr11  1  0.94127900  0.45824100  0.54175900  1.0
  Pr  Pr12  1  0.94120600  0.08360400  0.54181500  1.0
  Pr  Pr13  1  0.94120600  0.45818500  0.91639600  1.0
  Rh  Rh14  1  0.18366800  0.81143500  0.18856500  1.0
  Rh  Rh15  1  0.18349200  0.37723800  0.18858700  1.0
  Rh  Rh16  1  0.18349200  0.81141300  0.62276200  1.0
  Rh  Rh17  1  0.68366800  0.18856500  0.81143500  1.0
  Rh  Rh18  1  0.68349200  0.62276200  0.81141300  1.0
  Rh  Rh19  1  0.68349200  0.18858700  0.37723800  1.0

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