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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189708

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-1189708
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Na', 'Ag', 'W', 'O', 'F']
  • Chemical System: Ag-F-Na-O-W
  • Density: 5.605323248637883
  • Atomic Density: 0.06958282553907165
  • Unit Cell Volume: 287.4272472417744
  • Molar Volume: 8.654636705746437
  • Full Formula: Na3 Ag3 W2 O6 F6
  • Reduced Formula: Na3Ag3W2(OF)6
  • Formula Anonymous: A2B3C3D6E6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -122.50518494
  • Final energy per atom: -6.125259247000001
  • 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.