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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229269

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-1229269
  • 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: 32
  • Number of elements: 5
  • Element list: ['Ag', 'Pb', 'Cl', 'O', 'F']
  • Chemical System: Ag-Cl-F-O-Pb
  • Density: 5.9786913892742195
  • Atomic Density: 0.04340345339086126
  • Unit Cell Volume: 737.2685235856763
  • Molar Volume: 13.87479633421976
  • Full Formula: Ag4 Pb8 Cl12 O4 F4
  • Reduced Formula: AgPb2Cl3OF
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -134.57090335
  • Final energy per atom: -4.2053407296875
  • 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.