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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198376

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-1198376
  • 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: 60
  • Number of elements: 5
  • Element list: ['Cs', 'V', 'Fe', 'Cl', 'O']
  • Chemical System: Cl-Cs-Fe-O-V
  • Density: 3.339521956211474
  • Atomic Density: 0.04322513819823622
  • Unit Cell Volume: 1388.0811606623913
  • Molar Volume: 13.932033559688492
  • Full Formula: Cs10 V10 Fe2 Cl12 O26
  • Reduced Formula: Cs5V5FeCl6O13
  • Formula Anonymous: AB5C5D6E13
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -394.69015761
  • Final energy per atom: -6.5781692935
  • 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.