Y4C7

Traditional Materials TRA

MP-ID: mp-9530 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Y4C7

MP-ID

mp-9530

Elements

Sites

Density

4.5875

g/cm³

Volume

318.32

Å³

Cell a

3.7100

Cell b

6.4671

Cell c

13.7120

α Angle

90.00

β Angle

90.00

γ Angle

104.64

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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
12.91	6.8560	4.0	(0,0,2)
15.57	5.6925	4.7	(0,1,1)
19.20	4.6217	2.6	(0,1,2)
24.11	3.6908	10.7	(0,1,3)
25.65	3.4726	8.8	(1,0,1)
25.99	3.4280	2.9	(0,0,4)
26.13	3.4106	2.2	(1,-1,1)
28.06	3.1801	21.1	(1,0,2)
28.50	3.1323	28.6	(1,-1,2)
28.53	3.1286	24.0	(0,2,0)
29.28	3.0502	13.9	(0,2,1)
29.72	3.0064	100.0	(0,1,4)
31.43	2.8463	12.2	(0,2,2)
31.69	2.8231	10.4	(1,0,3)
32.09	2.7895	32.9	(1,-1,3)
32.40	2.7633	27.1	(1,1,1)
32.88	2.7240	6.2	(1,-2,0)
33.54	2.6717	46.6	(1,-2,1)
34.37	2.6089	51.0	(1,1,2)
34.75	2.5817	1.2	(0,2,3)
35.46	2.5315	14.6	(1,-2,2)
35.75	2.5118	3.0	(0,1,5)
36.23	2.4791	10.1	(1,0,4)
36.58	2.4563	1.0	(1,-1,4)

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Energy Properties

Formation Energy/atom

-0.25857

eV/atom

Energy/atom

-8.49977

eV/atom

Energy above Hull

0.0042

eV/atom

Uncorrected Energy

-14.1691

eV/atom

Volume/atom

14.47

Å³

c/a Ratio

3.6959

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.636

Element Family

N/A

Solute Fraction

0.364

Interstitial Fraction

0.636

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.683

Family

Binary Alloy

Matrix Element

C · 0.636

Related Tasks

Related computation task IDs (5)

aaadnmmo aaadtecf aaaekzyl aaaetkts aaafigjv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9530

Reference Citation

The crystal structure and related material properties of Y4C7 were obtained from the Materials Project database (MP-ID: mp-9530, 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…

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Raw CIF Data

# generated using pymatgen
data_Y4C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71004100
_cell_length_b   6.46705032
_cell_length_c   13.71196223
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.63582494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4C7
_chemical_formula_sum   'Y8 C14'
_cell_volume   318.31608867
_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  0.63295090  0.26032912  0.94460989  1.0
  Y  Y1  1  0.36704910  0.23967088  0.44460989  1.0
  Y  Y2  1  0.36704910  0.73967088  0.05539011  1.0
  Y  Y3  1  0.63295090  0.76032912  0.55539011  1.0
  Y  Y4  1  0.94502033  0.33934112  0.66296914  1.0
  Y  Y5  1  0.05498067  0.16065888  0.16296914  1.0
  Y  Y6  1  0.05498067  0.66065888  0.33703086  1.0
  Y  Y7  1  0.94502033  0.83934112  0.83703086  1.0
  C  C8  1  0.00000000  0.50000000  0.50000000  1.0
  C  C9  1  0.00000000  -0.00000000  0.00000000  1.0
  C  C10  1  0.53204313  0.07631564  0.78394586  1.0
  C  C11  1  0.46795687  0.42368436  0.28394586  1.0
  C  C12  1  0.46795687  0.92368436  0.21605414  1.0
  C  C13  1  0.53204313  0.57631564  0.71605414  1.0
  C  C14  1  0.62015320  0.45299005  0.19645151  1.0
  C  C15  1  0.37984680  0.04700995  0.69645151  1.0
  C  C16  1  0.73287751  0.95057831  0.39527599  1.0
  C  C17  1  0.26712249  0.54942169  0.89527599  1.0
  C  C18  1  0.26712249  0.04942169  0.60472401  1.0
  C  C19  1  0.73287751  0.45057831  0.10472401  1.0
  C  C20  1  0.62015320  0.95299005  0.30354849  1.0
  C  C21  1  0.37984680  0.54700995  0.80354849  1.0

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