La9ErO15

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-785008 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

La9ErO15

MP-ID

mp-785008

Elements

Sites

Density

6.7119

g/cm³

Volume

410.05

Å³

Cell a

6.7901

Cell b

7.3023

Cell c

9.9719

α Angle

108.06

β Angle

90.00

γ Angle

117.70

Space Group

Point Group

Crystal System

Triclinic

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
16.29	5.4410	100.0	(1,-1,1)
25.67	3.4702	22.2	(1,-2,0)
26.24	3.3956	10.5	(1,0,2)
27.01	3.3014	7.9	(1,1,-2)
30.05	2.9736	14.0	(1,0,-3)
30.05	2.9734	22.6	(2,0,-1)
32.61	2.7461	6.0	(2,-1,-2)
32.92	2.7205	4.8	(2,-2,2)
36.05	2.4912	17.1	(0,1,-4)
37.36	2.4069	14.0	(1,2,-1)
38.46	2.3406	12.9	(2,-3,1)
39.26	2.2947	7.1	(2,-1,3)
39.89	2.2598	6.5	(2,1,0)
40.55	2.2249	18.0	(3,-1,0)
40.80	2.2117	12.2	(0,2,2)
42.09	2.1468	10.6	(0,3,-2)
43.84	2.0650	8.0	(1,-3,-1)
44.05	2.0556	2.6	(1,-1,-4)
44.56	2.0333	5.0	(1,1,3)
45.51	1.9932	2.2	(1,-3,4)
45.76	1.9829	4.7	(2,-2,-3)
47.85	1.9009	6.2	(1,-2,5)
52.48	1.7437	5.5	(1,-4,3)
53.39	1.7161	5.6	(3,-3,-2)

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Energy Properties

Formation Energy/atom

3.60481

eV/atom

Energy/atom

-1.32363

eV/atom

Energy above Hull

7.4989

eV/atom

Uncorrected Energy

-0.9114

eV/atom

Volume/atom

16.40

Å³

c/a Ratio

1.4686

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8030

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6765

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

57.656%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1398

smaller = more stable mixing

VEC

3.960

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7310

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.415

Family

O-rich Multi-Component

Matrix Element

O · 0.600

Related Tasks

Related computation task IDs (2)

aaabsrgq aaabwbtw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-785008

Reference Citation

The crystal structure and related material properties of La9ErO15 were obtained from the Materials Project database (MP-ID: mp-785008, 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_La9ErO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79007300
_cell_length_b   7.30229191
_cell_length_c   9.97186254
_cell_angle_alpha   108.05814471
_cell_angle_beta   89.99890256
_cell_angle_gamma   117.70419786
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La9ErO15
_chemical_formula_sum   'La9 Er1 O15'
_cell_volume   410.04746971
_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  0.23065100  0.69768000  0.54873000  1.0
  La  La1  1  0.03319400  0.09507900  0.15278000  1.0
  La  La2  1  0.83079100  0.49964900  0.74761500  1.0
  La  La3  1  0.43312800  0.29359100  0.95301700  1.0
  La  La4  1  0.37035700  0.11158400  0.64653600  1.0
  La  La5  1  0.56958200  0.70181900  0.05061500  1.0
  La  La6  1  0.17005900  0.50639900  0.25065700  1.0
  La  La7  1  0.96855900  0.90453100  0.84913000  1.0
  La  La8  1  0.76598600  0.30897600  0.44758200  1.0
  Er  Er9  1  0.64029400  0.91962900  0.34695500  1.0
  O  O10  1  0.99996400  0.99863600  0.00115800  1.0
  O  O11  1  0.99146300  0.01803000  0.33035600  1.0
  O  O12  1  0.39996700  0.20065700  0.79974700  1.0
  O  O13  1  0.59108900  0.77374000  0.87172100  1.0
  O  O14  1  0.60817600  0.82775500  0.52086800  1.0
  O  O15  1  0.20829000  0.62321100  0.72949400  1.0
  O  O16  1  0.19240700  0.57264300  0.07182200  1.0
  O  O17  1  0.20600400  0.60177600  0.39900400  1.0
  O  O18  1  0.78862300  0.36527900  0.27252900  1.0
  O  O19  1  0.39003500  0.16890100  0.47118500  1.0
  O  O20  1  0.80880700  0.42419200  0.92947000  1.0
  O  O21  1  0.41772000  0.20960100  0.13946100  1.0
  O  O22  1  0.79437800  0.40453500  0.59574300  1.0
  O  O23  1  0.98994500  0.97599200  0.66996700  1.0
  O  O24  1  0.60013100  0.79591200  0.20406100  1.0

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