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  1. Third-Parties
  2. MatprojStructure
  3. mp-1237313

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-1237313
  • 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: 46
  • Number of elements: 4
  • Element list: ['Ca', 'As', 'W', 'O']
  • Chemical System: As-Ca-O-W
  • Density: 9.054434860543854
  • Atomic Density: 0.05607593765877268
  • Unit Cell Volume: 820.3161983650509
  • Molar Volume: 10.739260031005259
  • Full Formula: Ca6 As4 W20 O16
  • Reduced Formula: Ca3As2(W5O4)2
  • Formula Anonymous: A2B3C8D10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -362.26065961
  • Final energy per atom: -7.875231730652174
  • 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.