LaCo5P3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-9552 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

LaCo5P3

MP-ID

mp-9552

Elements

Sites

Density

7.4251

g/cm³

Volume

235.49

Å³

Cell a

6.0243

Cell b

6.0243

Cell c

11.3150

α Angle

90.00

β Angle

90.00

γ Angle

145.01

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
22.05	4.0313	3.3	(1,-1,2)
22.05	4.0312	3.3	(1,-1,-2)
25.79	3.4547	3.7	(1,0,0)
26.99	3.3041	15.9	(1,0,1)
26.99	3.3041	15.9	(1,0,-1)
28.30	3.1530	33.4	(1,-1,3)
28.31	3.1530	33.4	(1,-1,-3)
31.13	2.8728	1.5	(2,-2,0)
31.63	2.8288	25.3	(0,0,4)
32.15	2.7845	28.4	(2,-2,1)
32.15	2.7845	28.4	(2,-2,-1)
34.07	2.6318	100.0	(2,-1,0)
35.00	2.5634	5.3	(2,-1,1)
35.00	2.5634	5.3	(1,-2,1)
35.00	2.5634	5.3	(2,-1,-1)
35.00	2.5634	5.3	(1,-2,-1)
35.03	2.5615	12.3	(2,-2,2)
35.03	2.5615	12.3	(2,-2,-2)
35.23	2.5475	40.8	(0,1,-3)
35.23	2.5475	40.8	(1,0,3)
35.23	2.5475	40.8	(1,0,-3)
35.23	2.5475	40.8	(0,1,3)
35.37	2.5379	4.0	(1,-1,4)
35.37	2.5378	4.0	(1,-1,-4)

Get direct link

Energy Properties

Formation Energy/atom

-0.72599

eV/atom

Energy/atom

-14.38401

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.3840

eV/atom

Volume/atom

13.08

Å³

c/a Ratio

1.8782

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.4705

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.027480

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.556

Element Family

3d-TM

Solute Fraction

0.444

Interstitial Fraction

0.333

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

1.0049

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.356%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3152

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.461

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.728

Family

Co-based Alloy

Matrix Element

Co · 0.556

Related Tasks

Related computation task IDs (5)

aaadnhgj aaadrjzd aaaetprt aaafxfyo aaagamsl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9552

Reference Citation

The crystal structure and related material properties of LaCo5P3 were obtained from the Materials Project database (MP-ID: mp-9552, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_LaCo5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02429386
_cell_length_b   6.02429309
_cell_length_c   11.31502153
_cell_angle_alpha   90.00063825
_cell_angle_beta   89.99937088
_cell_angle_gamma   145.00843424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo5P3
_chemical_formula_sum   'La2 Co10 P6'
_cell_volume   235.48736543
_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
  La  La0  1  0.33573566  0.66426739  0.24997463  1.0
  La  La1  1  0.66430902  0.33568998  0.75002674  1.0
  Co  Co2  1  0.04969864  0.95030409  0.14801000  1.0
  Co  Co3  1  0.04968969  0.95031071  0.35196318  1.0
  Co  Co4  1  0.69663617  0.30336564  0.43291105  1.0
  Co  Co5  1  0.30336582  0.69663331  0.56703333  1.0
  Co  Co6  1  0.30336869  0.69662787  0.93299116  1.0
  Co  Co7  1  0.69663384  0.30336389  0.06706390  1.0
  Co  Co8  1  0.49999210  0.50000768  0.49996901  1.0
  Co  Co9  1  0.49999181  0.50000858  0.00003349  1.0
  Co  Co10  1  0.95030420  0.04969589  0.64800942  1.0
  Co  Co11  1  0.95030347  0.04969619  0.85201704  1.0
  P  P12  1  0.61708788  0.38291318  0.24996670  1.0
  P  P13  1  0.38291113  0.61708886  0.75003243  1.0
  P  P14  1  0.11840101  0.88160003  0.53497030  1.0
  P  P15  1  0.88158348  0.11841599  0.46499881  1.0
  P  P16  1  0.88158187  0.11841705  0.03501070  1.0
  P  P17  1  0.11840552  0.88159369  0.96501809  1.0

Get direct link