KC

Traditional Materials TRA

MP-ID: mp-1064814 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

MP-ID

mp-1064814

Elements

Sites

Density

1.4421

g/cm³

Volume

117.70

Å³

Cell a

4.3662

Cell b

4.3662

Cell c

7.5654

α Angle

73.18

β Angle

73.18

γ Angle

59.98

Space Group

C2/m

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
24.97	3.5654	23.3	(0,0,2)
24.98	3.5648	46.4	(1,0,1)
24.98	3.5645	23.1	(1,1,0)
28.90	3.0890	50.0	(1,1,2)
28.93	3.0864	100.0	(1,0,-1)
41.35	2.1835	32.5	(1,0,3)
41.36	2.1831	32.2	(2,1,1)
41.37	2.1825	16.2	(1,1,-2)
41.37	2.1823	16.3	(1,-1,0)
48.90	1.8627	3.5	(1,1,4)
48.90	1.8625	6.9	(2,1,3)
48.91	1.8623	3.4	(2,2,2)
48.93	1.8615	7.0	(1,0,-3)
48.94	1.8613	7.0	(1,-1,2)
48.94	1.8612	6.9	(2,1,-1)
48.94	1.8612	7.0	(2,0,0)
51.25	1.7827	7.8	(0,0,4)
51.26	1.7824	15.5	(2,0,2)
51.26	1.7822	7.7	(2,2,0)
59.89	1.5445	4.5	(2,2,4)
59.94	1.5432	9.0	(2,0,-2)
65.93	1.4169	2.7	(1,0,5)
65.93	1.4168	2.7	(2,0,4)
65.94	1.4166	2.6	(3,1,2)

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Energy Properties

Formation Energy/atom

2.31128

eV/atom

Energy/atom

-5.67147

eV/atom

Energy above Hull

2.3373

eV/atom

Uncorrected Energy

-2.8518

eV/atom

Volume/atom

29.42

Å³

c/a Ratio

1.7327

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0024

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.051000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

K · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.500

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.424

Family

Binary Alloy

Matrix Element

K · 0.500

Related Tasks

Related computation task IDs (5)

aaadmpku aaadsauc aaaegbfa aaaeuomk aaafwxvl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1064814

Reference Citation

The crystal structure and related material properties of KC were obtained from the Materials Project database (MP-ID: mp-1064814, 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_KC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36623624
_cell_length_b   4.36623624
_cell_length_c   7.56543625
_cell_angle_alpha   73.18081818
_cell_angle_beta   73.18081818
_cell_angle_gamma   59.97529924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KC
_chemical_formula_sum   'K2 C2'
_cell_volume   117.69931059
_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
  K  K0  1  0.75572200  0.75572200  0.75025400  1.0
  K  K1  1  0.24427800  0.24427800  0.24974600  1.0
  C  C2  1  0.00000000  0.00000000  0.00000000  1.0
  C  C3  1  0.50000000  0.50000000  0.50000000  1.0

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