Pr3Co

Traditional Materials TRA

MP-ID: mp-862762 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Pr3Co

MP-ID

mp-862762

Elements

Sites

Density

6.8794

g/cm³

Volume

465.05

Å³

Cell a

7.0839

Cell b

9.9850

Cell c

6.5748

α Angle

89.97

β Angle

90.00

γ Angle

90.01

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
16.14	5.4926	1.3	(0,1,1)
16.14	5.4899	1.3	(0,1,-1)
17.77	4.9925	2.0	(0,2,0)
18.41	4.8192	2.4	(1,0,1)
18.41	4.8189	2.4	(1,0,-1)
20.46	4.3407	1.3	(1,-1,-1)
20.46	4.3406	1.3	(1,1,1)
20.47	4.3396	1.2	(1,-1,1)
20.47	4.3391	1.2	(1,1,-1)
25.69	3.4680	8.3	(1,-2,-1)
25.69	3.4678	8.3	(1,2,1)
25.70	3.4668	8.3	(1,-2,1)
25.70	3.4664	8.3	(1,2,-1)
26.70	3.3383	21.8	(2,-1,0)
26.71	3.3380	21.8	(2,1,0)
27.13	3.2874	29.0	(0,0,2)
28.63	3.1183	19.3	(2,0,1)
28.63	3.1182	19.3	(2,0,-1)
29.97	2.9820	38.6	(1,0,2)
29.97	2.9819	38.6	(1,0,-2)
30.02	2.9767	15.3	(2,-1,-1)
30.02	2.9767	15.2	(2,1,1)
30.02	2.9764	15.2	(2,-1,1)
30.03	2.9761	15.2	(2,1,-1)

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Energy Properties

Formation Energy/atom

0.05026

eV/atom

Energy/atom

-25.31126

eV/atom

Energy above Hull

0.0508

eV/atom

Uncorrected Energy

-25.3113

eV/atom

Volume/atom

29.07

Å³

c/a Ratio

0.9281

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.8892

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.004060

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pr · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.688

Family

Binary Alloy

Matrix Element

Pr · 0.750

Related Tasks

Related computation task IDs (5)

aaachurm aaadqykp aaaekwyn aaaetmhf aaafrwrr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-862762

Reference Citation

The crystal structure and related material properties of Pr3Co were obtained from the Materials Project database (MP-ID: mp-862762, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Pr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08385497
_cell_length_b   9.98496282
_cell_length_c   6.57478196
_cell_angle_alpha   89.96957330
_cell_angle_beta   89.99656945
_cell_angle_gamma   90.00696694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Co
_chemical_formula_sum   'Pr12 Co4'
_cell_volume   465.04759477
_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  0.44612986  0.74994482  0.14430032  1.0
  Pr  Pr1  1  0.16074615  0.07039783  0.17764673  1.0
  Pr  Pr2  1  0.16086417  0.42976628  0.17780779  1.0
  Pr  Pr3  1  0.66060514  0.07025583  0.32212388  1.0
  Pr  Pr4  1  0.66051334  0.42970481  0.32221547  1.0
  Pr  Pr5  1  0.94625094  0.75001469  0.35558205  1.0
  Pr  Pr6  1  0.05377992  0.24998653  0.64433647  1.0
  Pr  Pr7  1  0.33931178  0.57019315  0.67776647  1.0
  Pr  Pr8  1  0.33923500  0.92987983  0.67785006  1.0
  Pr  Pr9  1  0.83923446  0.57016216  0.82220323  1.0
  Pr  Pr10  1  0.83935427  0.92965776  0.82232477  1.0
  Pr  Pr11  1  0.55376008  0.25003762  0.85579789  1.0
  Co  Co12  1  0.88553843  0.25022396  0.05345275  1.0
  Co  Co13  1  0.38572809  0.24976460  0.44651146  1.0
  Co  Co14  1  0.61440683  0.75024555  0.55347050  1.0
  Co  Co15  1  0.11454054  0.74976259  0.94661617  1.0

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