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  1. Third-Parties
  2. MatprojStructure
  3. mp-778380

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-778380
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Ca', 'W', 'O']
  • Chemical System: Ca-O-W
  • Density: 5.488553929668014
  • Atomic Density: 0.07451187451523332
  • Unit Cell Volume: 1181.0198115739142
  • Molar Volume: 8.082122210962261
  • Full Formula: Ca20 W12 O56
  • Reduced Formula: Ca5W3O14
  • Formula Anonymous: A3B5C14
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -724.2560392600001
  • Final energy per atom: -8.230182264318183
  • 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.