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  1. Third-Parties
  2. MatprojStructure
  3. mp-554913

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-554913
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Cr', 'Ag', 'I', 'O']
  • Chemical System: Ag-Cr-I-O
  • Density: 5.906247559732789
  • Atomic Density: 0.06070763421242518
  • Unit Cell Volume: 823.6196427131792
  • Molar Volume: 9.919906842239348
  • Full Formula: Cr6 Ag16 I4 O24
  • Reduced Formula: Cr3Ag8(IO6)2
  • Formula Anonymous: A2B3C8D12
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -278.77356106
  • Final energy per atom: -5.575471221200001
  • 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.