Ce17O32

Traditional Materials TRA

MP-ID: mp-673643 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Ce17O32

MP-ID

mp-673643

Elements

Sites

Density

6.7768

g/cm³

Volume

709.11

Å³

Cell a

66.2914

Cell b

41.0755

Cell c

10.3084

α Angle

18.02

β Angle

19.06

γ Angle

4.71

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

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
12.10	7.3159	1.1	(8,5,1)
28.02	3.1849	100.0	(17,10,2)
28.07	3.1783	98.7	(0,1,0)
28.08	3.1778	98.5	(17,11,3)
28.12	3.1728	97.3	(0,0,1)
32.51	2.7545	39.7	(17,10,3)
32.53	2.7527	39.6	(17,11,2)
32.55	2.7506	40.0	(0,1,1)
46.58	1.9497	34.3	(34,21,5)
46.59	1.9493	34.6	(17,9,2)
46.67	1.9461	34.0	(17,10,1)
46.69	1.9454	34.2	(17,12,3)
46.72	1.9445	33.5	(0,1,-1)
46.74	1.9435	33.7	(17,11,4)
55.22	1.6634	14.3	(34,20,5)
55.28	1.6618	14.1	(34,21,4)
55.31	1.6609	14.4	(17,9,1)
55.32	1.6608	14.0	(17,9,3)
55.32	1.6606	13.9	(34,21,6)
55.32	1.6606	14.1	(34,22,5)
55.35	1.6598	14.3	(0,2,1)
55.38	1.6590	13.8	(17,12,2)
55.40	1.6584	13.7	(17,11,1)
55.41	1.6582	13.6	(17,10,4)

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Energy Properties

Formation Energy/atom

-3.93480

eV/atom

Energy/atom

-9.22588

eV/atom

Energy above Hull

0.0095

eV/atom

Uncorrected Energy

-8.7772

eV/atom

Volume/atom

14.47

Å³

c/a Ratio

0.1555

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9972

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.005640

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.653

Element Family

N/A

Solute Fraction

0.347

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.688

Family

Binary Alloy

Matrix Element

O · 0.653

Related Tasks

Related computation task IDs (1)

aaabminj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-673643

Reference Citation

The crystal structure and related material properties of Ce17O32 were obtained from the Materials Project database (MP-ID: mp-673643, 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_Ce17O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   66.29136774
_cell_length_b   41.07550474
_cell_length_c   10.30843234
_cell_angle_alpha   18.01949028
_cell_angle_beta   19.05567014
_cell_angle_gamma   4.70807612
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce17O32
_chemical_formula_sum   'Ce17 O32'
_cell_volume   709.11343642
_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
  Ce  Ce0  1  0.98911829  0.02121190  0.98681691  1.0
  Ce  Ce1  1  0.06228481  0.97988956  0.06090190  1.0
  Ce  Ce2  1  0.10737417  0.01540108  0.99847191  1.0
  Ce  Ce3  1  0.19047912  0.97814341  0.98222323  1.0
  Ce  Ce4  1  0.24571389  0.98755263  0.99258546  1.0
  Ce  Ce5  1  0.28369811  0.01244737  0.00741454  1.0
  Ce  Ce6  1  0.33893288  0.02185659  0.01777677  1.0
  Ce  Ce7  1  0.42203783  0.98459892  0.00152809  1.0
  Ce  Ce8  1  0.46712719  0.02011044  0.93909810  1.0
  Ce  Ce9  1  0.54029371  0.97878810  0.01318309  1.0
  Ce  Ce10  1  0.56560268  0.04487384  0.96507684  1.0
  Ce  Ce11  1  0.64251048  0.00984171  0.99264357  1.0
  Ce  Ce12  1  0.70794875  0.99718478  0.99712881  1.0
  Ce  Ce13  1  0.76470600  0.00000000  0.00000000  1.0
  Ce  Ce14  1  0.82146225  0.00281522  0.00287119  1.0
  Ce  Ce15  1  0.88690152  0.99015829  0.00735643  1.0
  Ce  Ce16  1  0.96380832  0.95512616  0.03492316  1.0
  O  O17  1  0.06986485  0.25772344  0.24241369  1.0
  O  O18  1  0.16663790  0.20636221  0.19890459  1.0
  O  O19  1  0.19486692  0.24599551  0.24936155  1.0
  O  O20  1  0.28447068  0.19145367  0.27893635  1.0
  O  O21  1  0.32905449  0.20031858  0.29970654  1.0
  O  O22  1  0.37265600  0.24334568  0.24511560  1.0
  O  O23  1  0.03367676  0.77198988  0.72235985  1.0
  O  O24  1  0.41166288  0.28502796  0.21095865  1.0
  O  O25  1  0.11774912  0.71497204  0.78904135  1.0
  O  O26  1  0.49573524  0.22801012  0.27764015  1.0
  O  O27  1  0.15675600  0.75665432  0.75488440  1.0
  O  O28  1  0.52787127  0.27831706  0.23168991  1.0
  O  O29  1  0.20035751  0.79968142  0.70029346  1.0
  O  O30  1  0.60774316  0.23993024  0.25043446  1.0
  O  O31  1  0.66781488  0.23889431  0.25888784  1.0
  O  O32  1  0.24494132  0.80854633  0.72106365  1.0
  O  O33  1  0.33454408  0.75400449  0.75063845  1.0
  O  O34  1  0.70588487  0.28518409  0.22195548  1.0
  O  O35  1  0.36277410  0.79363779  0.80109541  1.0
  O  O36  1  0.74287666  0.31099747  0.22526827  1.0
  O  O37  1  0.83945856  0.24516489  0.26578602  1.0
  O  O38  1  0.45954615  0.74227656  0.75758631  1.0
  O  O39  1  0.86159157  0.29171923  0.31110472  1.0
  O  O40  1  0.95507544  0.25075481  0.24591683  1.0
  O  O41  1  0.57433556  0.74924519  0.75408317  1.0
  O  O42  1  0.66782043  0.70828077  0.68889528  1.0
  O  O43  1  0.68995244  0.75483511  0.73421398  1.0
  O  O44  1  0.78653534  0.68900253  0.77473173  1.0
  O  O45  1  0.82352713  0.71481591  0.77804452  1.0
  O  O46  1  0.86159712  0.76110569  0.74111216  1.0
  O  O47  1  0.92166884  0.76006976  0.74956554  1.0
  O  O48  1  0.00154073  0.72168294  0.76831009  1.0

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