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  1. Third-Parties
  2. MatprojStructure
  3. mp-573229

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-573229
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Cs', 'Mn', 'V', 'Cl', 'O']
  • Chemical System: Cl-Cs-Mn-O-V
  • Density: 3.297771053489939
  • Atomic Density: 0.04379309531896586
  • Unit Cell Volume: 593.7008976102211
  • Molar Volume: 13.751347595181151
  • Full Formula: Cs4 Mn2 V4 Cl4 O12
  • Reduced Formula: Cs2MnV2(ClO3)2
  • Formula Anonymous: AB2C2D2E6
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -184.85635837
  • Final energy per atom: -7.109859937307693
  • 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.