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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188917

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-1188917
  • 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: 18
  • Number of elements: 5
  • Element list: ['Ag', 'C', 'S', 'O', 'F']
  • Chemical System: Ag-C-F-O-S
  • Density: 2.960468690114977
  • Atomic Density: 0.06244917595356374
  • Unit Cell Volume: 288.23438780656653
  • Molar Volume: 9.643266973575397
  • Full Formula: Ag2 C2 S2 O6 F6
  • Reduced Formula: AgCS(OF)3
  • Formula Anonymous: ABCD3E3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -102.06453225
  • Final energy per atom: -5.670251791666667
  • 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.