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-605935
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 50
Number of elements: 5
Element list: ['K', 'Eu', 'Si', 'O', 'F']
Chemical System: Eu-F-K-O-Si
Density: 3.4214764108151496
Atomic Density: 0.06141448850458433
Unit Cell Volume: 814.1401356174727
Molar Volume: 9.805732990107822
Full Formula: K10 Eu4 Si8 O26 F2
Reduced Formula: K5Eu2Si4O13F
Formula Anonymous: AB2C4D5E13
Spacegroup Number: 11
Spacegroup Symbol: P12_1/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -380.03975701
Final energy per atom: -7.600795140200001
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.