Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-554716

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-554716
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Na', 'Sb', 'C', 'O', 'F']
  • Chemical System: C-F-Na-O-Sb
  • Density: 3.4227959772102055
  • Atomic Density: 0.06709968182418298
  • Unit Cell Volume: 476.9024104145167
  • Molar Volume: 8.974917013435967
  • Full Formula: Na4 Sb4 C4 O8 F12
  • Reduced Formula: NaSbCO2F3
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -195.49157434
  • Final energy per atom: -6.109111698125
  • 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.