PrMn2

Traditional Materials TRA

MP-ID: mp-1102427 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

PrMn2

MP-ID

mp-1102427

Elements

Sites

Density

7.4124

g/cm³

Volume

224.72

Å³

Cell a

5.5550

Cell b

5.5550

Cell c

8.4069

α Angle

90.00

β Angle

90.00

γ Angle

119.97

Space Group

P6_3/mmc

Point Group

6/mmm

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
18.44	4.8121	7.1	(1,0,-1,0)
18.45	4.8101	3.6	(1,-1,0,0)
21.14	4.2035	10.9	(0,0,0,2)
21.27	4.1763	7.4	(1,0,-1,1)
21.28	4.1750	3.7	(1,-1,0,1)
28.19	3.1657	16.3	(1,0,-1,2)
28.19	3.1652	8.1	(1,-1,0,2)
32.22	2.7786	32.0	(1,1,-2,0)
32.23	2.7775	64.0	(2,-1,-1,0)
37.13	2.4216	73.7	(1,0,-1,3)
37.13	2.4214	36.8	(1,-1,0,3)
37.38	2.4060	15.2	(2,0,-2,0)
37.39	2.4050	7.6	(2,-2,0,0)
38.85	2.3180	50.0	(1,1,-2,2)
38.86	2.3173	100.0	(2,-1,-1,2)
38.94	2.3132	50.4	(2,0,-2,1)
38.95	2.3123	25.2	(2,-2,0,1)
43.04	2.1017	11.8	(0,0,0,4)
47.19	1.9260	2.7	(1,0,-1,4)
47.19	1.9259	1.3	(1,-1,0,4)
49.96	1.8255	2.7	(2,0,-2,3)
49.97	1.8251	1.4	(2,-2,0,3)
50.15	1.8190	1.3	(2,1,-3,0)
50.17	1.8185	1.3	(3,-1,-2,0)

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Energy Properties

Formation Energy/atom

0.21246

eV/atom

Energy/atom

-19.37775

eV/atom

Energy above Hull

0.2125

eV/atom

Uncorrected Energy

-7.4892

eV/atom

Volume/atom

18.73

Å³

c/a Ratio

1.5134

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.7735

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.043490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.646

Family

Binary Alloy

Matrix Element

Mn · 0.667

Related Tasks

Related computation task IDs (2)

aaaezmki aaaezpbl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1102427

Reference Citation

The crystal structure and related material properties of PrMn2 were obtained from the Materials Project database (MP-ID: mp-1102427, 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_PrMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55495664
_cell_length_b   5.55495664
_cell_length_c   8.40692100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97242223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrMn2
_chemical_formula_sum   'Pr4 Mn8'
_cell_volume   224.72405630
_cell_formula_units_Z   4
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  0.66667100  0.33332900  0.55728300  1.0
  Pr  Pr1  1  0.33332900  0.66667100  0.44271700  1.0
  Pr  Pr2  1  0.33332900  0.66667100  0.05728300  1.0
  Pr  Pr3  1  0.66667100  0.33332900  0.94271700  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn5  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn6  1  0.16094600  0.32194400  0.75000000  1.0
  Mn  Mn7  1  0.16106500  0.83893500  0.75000000  1.0
  Mn  Mn8  1  0.67805600  0.83905400  0.75000000  1.0
  Mn  Mn9  1  0.83905400  0.67805600  0.25000000  1.0
  Mn  Mn10  1  0.83893500  0.16106500  0.25000000  1.0
  Mn  Mn11  1  0.32194400  0.16094600  0.25000000  1.0

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