Dy5Cl11

Traditional Materials TRA

MP-ID: mp-669497 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

Dy5Cl11

MP-ID

mp-669497

Elements

Sites

Density

5.2558

g/cm³

Volume

1,519.67

Å³

Cell a

33.4159

Cell b

6.6683

Cell c

6.8207

α Angle

89.15

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/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
10.59	8.3540	5.7	(4,0,0)
13.54	6.5387	7.3	(1,1,0)
15.49	5.7209	10.6	(3,1,0)
15.91	5.5693	7.5	(6,0,0)
18.47	4.8035	36.2	(0,1,1)
18.75	4.7325	31.5	(0,1,-1)
19.23	4.6165	2.2	(2,1,1)
19.50	4.5534	1.6	(2,1,-1)
20.13	4.4109	1.8	(3,1,1)
20.39	4.3557	1.4	(3,1,-1)
22.80	3.9006	97.9	(5,1,1)
22.91	3.8814	1.2	(7,1,0)
23.03	3.8622	100.0	(5,1,-1)
24.47	3.6375	2.4	(6,1,1)
24.69	3.6064	2.3	(6,1,-1)
26.13	3.4100	8.5	(0,0,2)
26.68	3.3416	29.2	(10,0,0)
26.68	3.3411	3.3	(2,0,2)
26.74	3.3338	21.7	(0,2,0)
27.28	3.2693	1.1	(2,2,0)
28.27	3.1571	1.0	(4,0,2)
28.31	3.1520	2.0	(8,1,1)
28.50	3.1317	1.9	(8,1,-1)
28.83	3.0963	1.4	(4,2,0)

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Energy Properties

Formation Energy/atom

-2.28348

eV/atom

Energy/atom

-4.99759

eV/atom

Energy above Hull

0.2005

eV/atom

Uncorrected Energy

-4.5755

eV/atom

Volume/atom

23.74

Å³

c/a Ratio

0.2041

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0083

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cl · 0.688

Element Family

N/A

Solute Fraction

0.313

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.501

Family

Binary Alloy

Matrix Element

Cl · 0.688

Related Tasks

Related computation task IDs (1)

aaacxwjf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669497

Reference Citation

The crystal structure and related material properties of Dy5Cl11 were obtained from the Materials Project database (MP-ID: mp-669497, 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_Dy5Cl11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   33.41589900
_cell_length_b   6.66827600
_cell_length_c   6.82072976
_cell_angle_alpha   89.14649546
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy5Cl11
_chemical_formula_sum   'Dy20 Cl44'
_cell_volume   1519.67028621
_cell_formula_units_Z   4
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
  Dy  Dy0  1  0.93982600  0.44493800  0.12479400  1.0
  Dy  Dy1  1  0.85635000  0.04758600  0.29903300  1.0
  Dy  Dy2  1  0.25000000  0.00961400  0.31813200  1.0
  Dy  Dy3  1  0.64604200  0.45771000  0.80491600  1.0
  Dy  Dy4  1  0.94136500  0.04563500  0.62081000  1.0
  Dy  Dy5  1  0.75000000  0.99038600  0.68186800  1.0
  Dy  Dy6  1  0.75000000  0.51062000  0.17750700  1.0
  Dy  Dy7  1  0.55863500  0.04563500  0.62081000  1.0
  Dy  Dy8  1  0.14604200  0.54229000  0.19508400  1.0
  Dy  Dy9  1  0.85395800  0.45771000  0.80491600  1.0
  Dy  Dy10  1  0.05863500  0.95436500  0.37919000  1.0
  Dy  Dy11  1  0.35635000  0.95241400  0.70096700  1.0
  Dy  Dy12  1  0.14365000  0.95241400  0.70096700  1.0
  Dy  Dy13  1  0.64365000  0.04758600  0.29903300  1.0
  Dy  Dy14  1  0.35395800  0.54229000  0.19508400  1.0
  Dy  Dy15  1  0.44136500  0.95436500  0.37919000  1.0
  Dy  Dy16  1  0.56017400  0.44493800  0.12479400  1.0
  Dy  Dy17  1  0.43982600  0.55506200  0.87520600  1.0
  Dy  Dy18  1  0.06017400  0.55506200  0.87520600  1.0
  Dy  Dy19  1  0.25000000  0.48938000  0.82249300  1.0
  Cl  Cl20  1  0.41824200  0.31327400  0.17525000  1.0
  Cl  Cl21  1  0.50838700  0.27904200  0.86973500  1.0
  Cl  Cl22  1  0.10275400  0.86486000  0.04382100  1.0
  Cl  Cl23  1  0.29869300  0.80577400  0.01970600  1.0
  Cl  Cl24  1  0.82570400  0.67481900  0.11500200  1.0
  Cl  Cl25  1  0.25000000  0.39648800  0.20017600  1.0
  Cl  Cl26  1  0.67311900  0.82963800  0.61791900  1.0
  Cl  Cl27  1  0.75000000  0.60351200  0.79982400  1.0
  Cl  Cl28  1  0.70130700  0.19422600  0.98029400  1.0
  Cl  Cl29  1  0.60283100  0.36133400  0.46964100  1.0
  Cl  Cl30  1  0.58175800  0.68672600  0.82475000  1.0
  Cl  Cl31  1  0.91824200  0.68672600  0.82475000  1.0
  Cl  Cl32  1  0.60275400  0.13514000  0.95617900  1.0
  Cl  Cl33  1  0.70124700  0.30195900  0.47690600  1.0
  Cl  Cl34  1  0.17429600  0.32518100  0.88499800  1.0
  Cl  Cl35  1  0.32688100  0.17036200  0.38208100  1.0
  Cl  Cl36  1  0.82688100  0.82963800  0.61791900  1.0
  Cl  Cl37  1  0.17311900  0.17036200  0.38208100  1.0
  Cl  Cl38  1  0.39724600  0.86486000  0.04382100  1.0
  Cl  Cl39  1  0.50790400  0.22451700  0.36953200  1.0
  Cl  Cl40  1  0.89724600  0.13514000  0.95617900  1.0
  Cl  Cl41  1  0.91918400  0.80688700  0.32338500  1.0
  Cl  Cl42  1  0.29875300  0.69804100  0.52309400  1.0
  Cl  Cl43  1  0.75000000  0.88805400  0.31125300  1.0
  Cl  Cl44  1  0.20124700  0.69804100  0.52309400  1.0
  Cl  Cl45  1  0.49161300  0.72095800  0.13026500  1.0
  Cl  Cl46  1  0.58081600  0.80688700  0.32338500  1.0
  Cl  Cl47  1  0.08175800  0.31327400  0.17525000  1.0
  Cl  Cl48  1  0.25000000  0.11194600  0.68874700  1.0
  Cl  Cl49  1  0.99209600  0.22451700  0.36953200  1.0
  Cl  Cl50  1  0.00790400  0.77548300  0.63046800  1.0
  Cl  Cl51  1  0.39716900  0.63866600  0.53035900  1.0
  Cl  Cl52  1  0.79875300  0.30195900  0.47690600  1.0
  Cl  Cl53  1  0.49209600  0.77548300  0.63046800  1.0
  Cl  Cl54  1  0.00838700  0.72095800  0.13026500  1.0
  Cl  Cl55  1  0.08081600  0.19311300  0.67661500  1.0
  Cl  Cl56  1  0.10283100  0.63866600  0.53035900  1.0
  Cl  Cl57  1  0.41918400  0.19311300  0.67661500  1.0
  Cl  Cl58  1  0.89716900  0.36133400  0.46964100  1.0
  Cl  Cl59  1  0.79869300  0.19422600  0.98029400  1.0
  Cl  Cl60  1  0.32570400  0.32518100  0.88499800  1.0
  Cl  Cl61  1  0.67429600  0.67481900  0.11500200  1.0
  Cl  Cl62  1  0.99161300  0.27904200  0.86973500  1.0
  Cl  Cl63  1  0.20130700  0.80577400  0.01970600  1.0

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