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  1. Third-Parties
  2. MatprojStructure
  3. mp-29934

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-29934
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Zr', 'Ag', 'F']
  • Chemical System: Ag-F-Zr
  • Density: 5.397809973088222
  • Atomic Density: 0.07562131725974593
  • Unit Cell Volume: 581.8465162259438
  • Molar Volume: 7.963549139609676
  • Full Formula: Zr6 Ag7 F31
  • Reduced Formula: Zr6Ag7F31
  • Formula Anonymous: A6B7C31
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -268.20507594
  • Final energy per atom: -6.095569907727272
  • 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.