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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247820

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-1247820
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['As', 'S', 'N', 'O', 'F']
  • Chemical System: As-F-N-O-S
  • Density: 1.8686303884671003
  • Atomic Density: 0.04492818193820995
  • Unit Cell Volume: 1112.8872311985683
  • Molar Volume: 13.403927112568883
  • Full Formula: As4 S10 N8 O4 F24
  • Reduced Formula: As2S5N4(OF6)2
  • Formula Anonymous: A2B2C4D5E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -249.26554703
  • Final energy per atom: -4.9853109406
  • 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.