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  1. Third-Parties
  2. MatprojStructure
  3. mp-561100

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-561100
  • Created at: Sept. 4, 2022, 2:47 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: 3.5181851763679353
  • Atomic Density: 0.055969033801360105
  • Unit Cell Volume: 464.54259139574737
  • Molar Volume: 10.75977259384752
  • Full Formula: Cs2 Mn4 V4 Cl2 O14
  • Reduced Formula: CsMn2V2ClO7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 28
  • Spacegroup Symbol: Pma2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -207.73568441
  • Final energy per atom: -7.989834015769231
  • 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.