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  1. Third-Parties
  2. MatprojStructure
  3. mp-1340542

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-1340542
  • 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: 3
  • Element list: ['Ca', 'W', 'O']
  • Chemical System: Ca-O-W
  • Density: 10.795006041948687
  • Atomic Density: 0.07888903815791122
  • Unit Cell Volume: 329.5768411823721
  • Molar Volume: 7.633685110909267
  • Full Formula: Ca2 W10 O14
  • Reduced Formula: CaW5O7
  • Formula Anonymous: AB5C7
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -231.94008267
  • Final energy per atom: -8.920772410384616
  • 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.