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  1. Third-Parties
  2. MatprojStructure
  3. mp-555993

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-555993
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Cr', 'Ag', 'Cl', 'O']
  • Chemical System: Ag-Cl-Cr-O
  • Density: 5.256454282176617
  • Atomic Density: 0.05997162166915553
  • Unit Cell Volume: 300.141958796784
  • Molar Volume: 10.041650688090852
  • Full Formula: Cr2 Ag6 Cl2 O8
  • Reduced Formula: CrAg3ClO4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -98.21660196
  • Final energy per atom: -5.456477886666667
  • 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.