Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1203130

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-1203130
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Cs', 'Sb', 'C', 'O', 'F']
  • Chemical System: C-Cs-F-O-Sb
  • Density: 3.32837108158834
  • Atomic Density: 0.05414753326714086
  • Unit Cell Volume: 775.6586028174154
  • Molar Volume: 11.121726875884304
  • Full Formula: Cs4 Sb4 C8 O18 F8
  • Reduced Formula: Cs2Sb2C4O9F4
  • Formula Anonymous: A2B2C4D4E9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -275.83772937000003
  • Final energy per atom: -6.567564985000001
  • 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.