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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046672

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-1046672
  • 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: 60
  • Number of elements: 4
  • Element list: ['Ca', 'Te', 'W', 'O']
  • Chemical System: Ca-O-Te-W
  • Density: 5.873184636780155
  • Atomic Density: 0.06062238534324673
  • Unit Cell Volume: 989.7334072270044
  • Molar Volume: 9.933856488659037
  • Full Formula: Ca8 Te6 W10 O36
  • Reduced Formula: Ca4Te3W5O18
  • Formula Anonymous: A3B4C5D18
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -468.00260221
  • Final energy per atom: -7.800043370166667
  • 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.