Pr6O11

Traditional Materials TRA

MP-ID: mp-8825 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Pr6O11

MP-ID

mp-8825

Elements

Sites

Density

6.0723

g/cm³

Volume

1,117.30

Å³

Cell a

6.9169

Cell b

12.2643

Cell c

13.4535

α Angle

89.10

β Angle

78.28

γ Angle

89.57

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
15.36	5.7671	2.3	(0,1,-2)
18.17	4.8834	1.6	(1,1,2)
19.89	4.4637	2.1	(1,-2,1)
27.01	3.3013	100.0	(1,-3,-1)
27.05	3.2960	98.0	(2,0,2)
27.07	3.2935	98.5	(1,3,-1)
27.08	3.2929	97.9	(0,0,4)
30.70	2.9120	43.1	(1,3,3)
31.22	2.8652	39.0	(1,-3,3)
32.08	2.7898	38.2	(2,0,-2)
32.35	2.7675	1.6	(1,-4,1)
33.14	2.7032	1.2	(2,2,3)
34.81	2.5769	1.7	(2,-1,4)
37.26	2.4130	1.7	(1,-2,5)
39.39	2.2875	1.1	(0,5,-2)
40.26	2.2401	1.2	(3,-1,2)
41.69	2.1664	1.2	(0,1,6)
44.32	2.0438	35.1	(0,6,0)
44.39	2.0409	33.2	(2,0,6)
44.98	2.0156	33.4	(1,-3,-5)
45.02	2.0135	33.0	(3,3,1)
45.31	2.0013	31.3	(3,-3,1)
45.43	1.9964	30.8	(1,3,-5)
45.69	1.9859	1.3	(1,-4,5)

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Energy Properties

Formation Energy/atom

-3.22640

eV/atom

Energy/atom

-8.12054

eV/atom

Energy above Hull

0.0641

eV/atom

Uncorrected Energy

-7.6760

eV/atom

Volume/atom

16.43

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

16.0036

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.014320

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.647

Element Family

N/A

Solute Fraction

0.353

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.569

Family

Binary Alloy

Matrix Element

O · 0.647

Related Tasks

Related computation task IDs (1)

aaaebcyv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8825

Reference Citation

The crystal structure and related material properties of Pr6O11 were obtained from the Materials Project database (MP-ID: mp-8825, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Pr6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91687300
_cell_length_b   12.26425233
_cell_length_c   13.45349030
_cell_angle_alpha   89.09660662
_cell_angle_beta   78.27549531
_cell_angle_gamma   89.56569399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6O11
_chemical_formula_sum   'Pr24 O44'
_cell_volume   1117.30190474
_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
  Pr  Pr0  1  0.49139400  0.42151100  0.25118600  1.0
  Pr  Pr1  1  0.50860600  0.57848900  0.74881400  1.0
  Pr  Pr2  1  0.75010400  0.40507400  0.50465000  1.0
  Pr  Pr3  1  0.24989600  0.59492600  0.49535000  1.0
  Pr  Pr4  1  0.24712000  0.23693500  0.50571500  1.0
  Pr  Pr5  1  0.75288000  0.76306500  0.49428500  1.0
  Pr  Pr6  1  0.26340300  0.41621500  0.00252500  1.0
  Pr  Pr7  1  0.73659700  0.58378500  0.99747500  1.0
  Pr  Pr8  1  0.24237300  0.07973300  0.99775000  1.0
  Pr  Pr9  1  0.75762700  0.92026700  0.00225000  1.0
  Pr  Pr10  1  0.00849200  0.73095500  0.74976200  1.0
  Pr  Pr11  1  0.99150800  0.26904500  0.25023800  1.0
  Pr  Pr12  1  0.25684900  0.91900100  0.47784100  1.0
  Pr  Pr13  1  0.74315100  0.08099900  0.52215900  1.0
  Pr  Pr14  1  0.54370200  0.91146000  0.75562400  1.0
  Pr  Pr15  1  0.45629800  0.08854000  0.24437600  1.0
  Pr  Pr16  1  0.74468900  0.24731500  0.02053200  1.0
  Pr  Pr17  1  0.25531100  0.75268500  0.97946800  1.0
  Pr  Pr18  1  0.46614700  0.24533700  0.74855100  1.0
  Pr  Pr19  1  0.53385300  0.75466300  0.25144900  1.0
  Pr  Pr20  1  0.01607400  0.42631800  0.73889700  1.0
  Pr  Pr21  1  0.98392600  0.57368200  0.26110300  1.0
  Pr  Pr22  1  0.00530100  0.07732100  0.75357500  1.0
  Pr  Pr23  1  0.99469900  0.92267900  0.24642500  1.0
  O  O24  1  0.07782800  0.06478100  0.57263000  1.0
  O  O25  1  0.92217200  0.93521900  0.42737000  1.0
  O  O26  1  0.47162700  0.07757900  0.42258000  1.0
  O  O27  1  0.52837300  0.92242100  0.57742000  1.0
  O  O28  1  0.06728600  0.76875700  0.56719600  1.0
  O  O29  1  0.93271400  0.23124300  0.43280400  1.0
  O  O30  1  0.70607100  0.74479100  0.67879200  1.0
  O  O31  1  0.29392900  0.25520900  0.32120800  1.0
  O  O32  1  0.85999500  0.90492900  0.80709900  1.0
  O  O33  1  0.14000500  0.09507100  0.19290100  1.0
  O  O34  1  0.31052300  0.06213400  0.80750300  1.0
  O  O35  1  0.68947700  0.93786600  0.19249700  1.0
  O  O36  1  0.55076300  0.24488500  0.56594200  1.0
  O  O37  1  0.44923700  0.75511500  0.43405800  1.0
  O  O38  1  0.69536600  0.09307900  0.70583900  1.0
  O  O39  1  0.30463400  0.90692100  0.29416100  1.0
  O  O40  1  0.57002800  0.41602100  0.06410200  1.0
  O  O41  1  0.67673900  0.24196400  0.20136100  1.0
  O  O42  1  0.45565500  0.91361200  0.93763100  1.0
  O  O43  1  0.54434500  0.08638800  0.06236900  1.0
  O  O44  1  0.07146400  0.25165200  0.06275700  1.0
  O  O45  1  0.92853600  0.74834800  0.93724300  1.0
  O  O46  1  0.92791400  0.09211900  0.93506500  1.0
  O  O47  1  0.07208600  0.90788100  0.06493500  1.0
  O  O48  1  0.84926700  0.75281100  0.29991200  1.0
  O  O49  1  0.15073300  0.24718900  0.70008800  1.0
  O  O50  1  0.58430300  0.57925000  0.55529900  1.0
  O  O51  1  0.41569700  0.42075000  0.44470100  1.0
  O  O52  1  0.69289100  0.58514700  0.18282400  1.0
  O  O53  1  0.30710900  0.41485300  0.81717600  1.0
  O  O54  1  0.05444200  0.59755300  0.06975700  1.0
  O  O55  1  0.94555800  0.40244700  0.93024300  1.0
  O  O56  1  0.92085700  0.58869000  0.44970900  1.0
  O  O57  1  0.07914300  0.41131000  0.55029100  1.0
  O  O58  1  0.79021400  0.42150600  0.32328800  1.0
  O  O59  1  0.20978600  0.57849400  0.67671200  1.0
  O  O60  1  0.30715600  0.60038600  0.30349400  1.0
  O  O61  1  0.69284400  0.39961400  0.69650600  1.0
  O  O62  1  0.18239900  0.42203400  0.18800200  1.0
  O  O63  1  0.81760100  0.57796600  0.81199800  1.0
  O  O64  1  0.53135900  0.75619200  0.07096100  1.0
  O  O65  1  0.46864100  0.24380800  0.92903900  1.0
  O  O66  1  0.42997200  0.58397900  0.93589800  1.0
  O  O67  1  0.32326100  0.75803600  0.79863900  1.0

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