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  1. Third-Parties
  2. MatprojStructure
  3. mp-581156

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-581156
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Cs', 'U', 'V', 'Cl', 'O']
  • Chemical System: Cl-Cs-O-U-V
  • Density: 5.774953413155504
  • Atomic Density: 0.049912052116175464
  • Unit Cell Volume: 2003.5241141205665
  • Molar Volume: 12.065504231288356
  • Full Formula: Cs14 U16 V4 Cl2 O64
  • Reduced Formula: Cs7U8V2ClO32
  • Formula Anonymous: AB2C7D8E32
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -869.84069725
  • Final energy per atom: -8.698406972499999
  • 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.