Y4C5

Traditional Materials TRA

MP-ID: mp-9459 · Space group: Pbam (#55)

Materials Project API

Basic Information

Formula

Y4C5

MP-ID

mp-9459

Elements

Sites

Density

4.7725

g/cm³

Volume

289.26

Å³

Cell a

3.6683

Cell b

6.5913

Cell c

11.9634

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pbam

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
15.35	5.7731	23.1	(0,1,1)
24.26	3.6683	1.6	(1,0,0)
26.12	3.4120	15.7	(0,1,3)
27.06	3.2956	14.2	(0,2,0)
28.08	3.1773	24.2	(0,2,1)
28.54	3.1271	100.0	(1,0,2)
28.84	3.0961	11.3	(1,1,1)
29.87	2.9909	13.4	(0,0,4)
30.98	2.8865	37.7	(0,2,2)
31.67	2.8253	56.9	(1,1,2)
32.89	2.7236	79.3	(0,1,4)
35.33	2.5404	6.4	(0,2,3)
35.95	2.4983	27.4	(1,1,3)
36.66	2.4516	40.5	(1,2,0)
37.45	2.4017	63.4	(1,2,1)
38.85	2.3180	1.3	(1,0,4)
39.74	2.2684	22.4	(1,2,2)
40.09	2.2491	14.5	(0,1,5)
40.74	2.2148	3.4	(0,2,4)
41.29	2.1867	2.9	(1,1,4)
43.32	2.0885	8.9	(1,2,3)
43.90	2.0624	20.6	(0,3,2)
45.49	1.9939	1.6	(0,0,6)
47.23	1.9244	1.4	(0,3,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.30407

eV/atom

Energy/atom

-8.32533

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.0276

eV/atom

Volume/atom

16.07

Å³

c/a Ratio

3.2613

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

100.830

GPa

G_VRH

63.230

GPa

Young's Modulus E

156.894

GPa

Poisson Ratio ν

0.241

Pugh Ratio K/G

1.595

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-3.010

Lame λ

58.677

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.556

Element Family

N/A

Solute Fraction

0.444

Interstitial Fraction

0.556

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.646

Family

Binary Alloy

Matrix Element

C · 0.556

Related Tasks

Related computation task IDs (5)

aaadmedi aaadrjkp aaaelccx aaaetbcl aaafrwwm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9459

Reference Citation

The crystal structure and related material properties of Y4C5 were obtained from the Materials Project database (MP-ID: mp-9459, 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_Y4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66828226
_cell_length_b   6.59126917
_cell_length_c   11.96341893
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4C5
_chemical_formula_sum   'Y8 C10'
_cell_volume   289.25914884
_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
  Y  Y0  1  0.00000000  0.25629954  0.54269464  1.0
  Y  Y1  1  -0.00000000  0.74370046  0.45730536  1.0
  Y  Y2  1  0.00000000  0.75629954  0.95730536  1.0
  Y  Y3  1  0.00000000  0.24370046  0.04269464  1.0
  Y  Y4  1  0.50000000  0.10760191  0.80447297  1.0
  Y  Y5  1  0.50000000  0.89239809  0.19552703  1.0
  Y  Y6  1  0.50000000  0.60760191  0.69552703  1.0
  Y  Y7  1  0.50000000  0.39239809  0.30447297  1.0
  C  C8  1  0.50000000  0.50000000  0.50000000  1.0
  C  C9  1  0.50000000  0.00000000  -0.00000000  1.0
  C  C10  1  -0.00000000  0.36189450  0.73541468  1.0
  C  C11  1  -0.00000000  0.63810550  0.26458532  1.0
  C  C12  1  0.00000000  0.86189450  0.76458532  1.0
  C  C13  1  -0.00000000  0.13810550  0.23541468  1.0
  C  C14  1  -0.00000000  0.40112322  0.84417111  1.0
  C  C15  1  0.00000000  0.59887678  0.15582889  1.0
  C  C16  1  0.00000000  0.09887678  0.34417111  1.0
  C  C17  1  -0.00000000  0.90112322  0.65582889  1.0

Get direct link