Simmate

Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Due to limited resources, our website only includes a small number of features compared to the many available in the command-line and python. We highly recommend installing Simmate for local use, rather than just relying on the website.

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-12449
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 20
Number of elements: 4
Element list: ['Li', 'Pr', 'Os', 'O']
Chemical System: Li-O-Os-Pr
Density: 7.532449293715289
Atomic Density: 0.07889188653848546
Unit Cell Volume: 253.51149373571508
Molar Volume: 7.633409497771673
Full Formula: Li2 Pr4 Os2 O12
Reduced Formula: LiPr2OsO6
Formula Anonymous: ABC2D6
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -160.8471356
Final energy per atom: -8.04235678
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.