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La7(FeO8)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-770762 · Space group: Cm (#8)

Basic Information

Formula
La7(FeO8)2
MP-ID
mp-770762
Elements
3
Sites
25
Density
5.9948
g/cm³
Volume
371.18
ų
Cell a
7.6076
Å
Cell b
7.6076
Å
Cell c
6.9529
Å
α Angle
74.25
°
β Angle
74.25
°
γ Angle
90.63
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.14 7.2912 33.3 (1,0,0)
13.81 6.4139 15.6 (0,0,1)
15.58 5.6867 15.5 (1,0,1)
17.96 4.9402 18.9 (1,1,1)
17.97 4.9352 19.1 (1,1,0)
20.89 4.2518 18.6 (1,0,-1)
21.49 4.1348 26.3 (1,-1,1)
24.40 3.6477 70.7 (2,0,1)
24.42 3.6456 66.7 (2,0,0)
26.31 3.3869 2.7 (2,-1,0)
26.54 3.3587 5.4 (2,1,1)
26.67 3.3425 2.8 (1,1,2)
26.71 3.3378 2.5 (1,1,-1)
26.99 3.3031 8.8 (1,0,2)
27.82 3.2069 56.6 (0,0,2)
28.12 3.1736 2.8 (2,-1,1)
28.35 3.1477 2.8 (2,1,0)
31.46 2.8435 5.6 (2,-1,-1)
31.46 2.8434 98.0 (2,0,2)
31.50 2.8405 100.0 (2,0,-1)
31.63 2.8286 4.9 (2,1,2)
32.46 2.7585 7.3 (1,-1,2)
33.13 2.7043 82.9 (2,-2,0)
33.50 2.6749 82.3 (2,2,1)
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Energy Properties

Formation Energy/atom
-2.95968
eV/atom
Energy/atom
-8.18606
eV/atom
Energy above Hull
0.1195
eV/atom
Uncorrected Energy
-7.5659
eV/atom
Volume/atom
14.85
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
5.0004
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.013470
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.640
Element Family
Metalloid-Nonmetal
Solute Fraction
0.360
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8441
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.0180
J/mol·K
Ω Parameter
6.7098
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
58.172%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0611
smaller = more stable mixing
VEC
4.040
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.538
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7683
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.526
Family
O-rich Multi-Component
Matrix Element
O · 0.640

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-770762
Reference Citation

The crystal structure and related material properties of La7(FeO8)2 were obtained from the Materials Project database (MP-ID: mp-770762, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_La7(FeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60757563
_cell_length_b   7.60757563
_cell_length_c   6.95285989
_cell_angle_alpha   74.24737485
_cell_angle_beta   74.24737485
_cell_angle_gamma   90.62619810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7(FeO8)2
_chemical_formula_sum   'La7 Fe2 O16'
_cell_volume   371.18084284
_cell_formula_units_Z   1
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  0.80437900  0.80437900  0.77539400  1.0
  La  La1  1  0.82133200  0.31863400  0.72192400  1.0
  La  La2  1  0.68172800  0.18213200  0.26830600  1.0
  La  La3  1  0.32284200  0.32284200  0.72167200  1.0
  La  La4  1  0.31863400  0.82133200  0.72192400  1.0
  La  La5  1  0.18213200  0.68172800  0.26830600  1.0
  La  La6  1  0.18008500  0.18008500  0.27476200  1.0
  Fe  Fe7  1  0.99828500  0.99828500  0.00611000  1.0
  Fe  Fe8  1  0.49827500  0.49827500  0.00771200  1.0
  O  O9  1  0.93571000  0.93571000  0.30573200  1.0
  O  O10  1  0.01009100  0.76328200  0.98781600  1.0
  O  O11  1  0.00713900  0.24489400  0.99045200  1.0
  O  O12  1  0.94177300  0.36779000  0.38007100  1.0
  O  O13  1  0.58703700  0.10490100  0.62122100  1.0
  O  O14  1  0.74119400  0.49419000  0.99598600  1.0
  O  O15  1  0.76328200  0.01009100  0.98781600  1.0
  O  O16  1  0.57340700  0.57340700  0.70382000  1.0
  O  O17  1  0.40580800  0.40580800  0.31930600  1.0
  O  O18  1  0.49581100  0.25747600  0.99721200  1.0
  O  O19  1  0.49419000  0.74119400  0.99598600  1.0
  O  O20  1  0.36779000  0.94177300  0.38007100  1.0
  O  O21  1  0.10490100  0.58703700  0.62122100  1.0
  O  O22  1  0.24489400  0.00713900  0.99045200  1.0
  O  O23  1  0.08080400  0.08080400  0.68351700  1.0
  O  O24  1  0.25747600  0.49581100  0.99721200  1.0
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