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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199256

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-1199256
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Ag', 'As', 'I', 'O']
  • Chemical System: Ag-As-I-O
  • Density: 6.326434411630355
  • Atomic Density: 0.052399431960707406
  • Unit Cell Volume: 1221.3872861826342
  • Molar Volume: 11.492759624790978
  • Full Formula: Ag26 As6 I8 O24
  • Reduced Formula: Ag13As3(IO3)4
  • Formula Anonymous: A3B4C12D13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -286.21490405
  • Final energy per atom: -4.47210787578125
  • 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.