La7Tc4C9

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294736 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

La7Tc4C9

MP-ID

mp-3294736

Elements

Sites

Density

6.6330

g/cm³

Volume

368.62

Å³

Cell a

6.6012

Cell b

6.6012

Cell c

12.0796

α Angle

71.49

β Angle

71.49

γ Angle

48.33

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
7.81	11.3243	4.5	(0,0,1)
14.90	5.9466	1.4	(1,1,1)
15.65	5.6622	1.4	(0,0,2)
15.70	5.6462	4.3	(1,1,0)
17.91	4.9516	5.1	(1,1,2)
20.89	4.2517	1.7	(1,0,-1)
22.20	4.0038	2.4	(1,0,2)
25.85	3.4471	2.1	(1,0,-2)
25.87	3.4435	13.2	(1,1,-2)
27.63	3.2287	9.1	(0,1,3)
27.63	3.2287	9.1	(1,0,3)
27.68	3.2228	60.9	(2,1,1)
28.70	3.1107	16.8	(2,1,2)
29.83	2.9948	2.5	(2,2,1)
29.98	2.9803	18.0	(1,1,4)
30.05	2.9733	3.2	(2,2,2)
31.60	2.8311	17.7	(0,0,4)
31.69	2.8231	37.8	(2,2,0)
31.76	2.8172	74.1	(2,1,3)
32.10	2.7887	100.0	(1,0,-3)
32.14	2.7849	42.2	(2,1,-1)
32.32	2.7700	9.2	(2,2,3)
32.81	2.7297	2.3	(1,1,-3)
33.15	2.7023	92.7	(1,-1,0)

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Energy Properties

Formation Energy/atom

-0.37987

eV/atom

Energy/atom

-20.45973

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.4597

eV/atom

Volume/atom

18.43

Å³

c/a Ratio

1.8299

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0008

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

C · 0.450

Element Family

Metalloid-Nonmetal

Solute Fraction

0.550

Interstitial Fraction

0.450

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7185

J/mol·K

Ω Parameter

0.4138

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.354%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6434

smaller = more stable mixing

VEC

3.850

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-55.280

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9545

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.459

Family

C-rich Multi-Component

Matrix Element

C · 0.450

Related Tasks

Related computation task IDs (1)

aaahflwq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294736

Reference Citation

The crystal structure and related material properties of La7Tc4C9 were obtained from the Materials Project database (MP-ID: mp-3294736, 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_La7Tc4C9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60122879
_cell_length_b   6.60122896
_cell_length_c   12.07956031
_cell_angle_alpha   71.48518258
_cell_angle_beta   71.48518314
_cell_angle_gamma   48.32999831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7Tc4C9
_chemical_formula_sum   'La7 Tc4 C9'
_cell_volume   368.61554662
_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  0.37072271  0.37072271  0.84379164  1.0
  La  La1  1  0.14235502  0.14235502  0.68421940  1.0
  La  La2  1  0.85764498  0.85764498  0.31578060  1.0
  La  La3  1  0.13963456  0.13963456  0.38024888  1.0
  La  La4  1  0.86036544  0.86036544  0.61975112  1.0
  La  La5  1  0.00000000  0.00000000  0.00000000  1.0
  La  La6  1  0.62927729  0.62927729  0.15620836  1.0
  Tc  Tc7  1  0.35868920  0.35868920  0.13986061  1.0
  Tc  Tc8  1  0.56632959  0.56632959  0.57033988  1.0
  Tc  Tc9  1  0.43367041  0.43367041  0.42966012  1.0
  Tc  Tc10  1  0.64131080  0.64131080  0.86013939  1.0
  C  C11  1  0.38386804  0.38386804  0.28960049  1.0
  C  C12  1  0.92102386  0.92102386  0.81743566  1.0
  C  C13  1  0.39505663  0.39505663  0.60967207  1.0
  C  C14  1  0.19623900  0.19623900  0.14240218  1.0
  C  C15  1  0.80376100  0.80376100  0.85759782  1.0
  C  C16  1  0.50000000  0.50000000  0.00000000  1.0
  C  C17  1  0.07897614  0.07897614  0.18256434  1.0
  C  C18  1  0.61613196  0.61613196  0.71039951  1.0
  C  C19  1  0.60494337  0.60494337  0.39032793  1.0

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