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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182326

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-1182326
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ca', 'B', 'Cl', 'O']
  • Chemical System: B-Ca-Cl-O
  • Density: 2.607728890435718
  • Atomic Density: 0.08574765000573056
  • Unit Cell Volume: 209.91828929185874
  • Molar Volume: 7.023097145633189
  • Full Formula: Ca2 B5 Cl1 O10
  • Reduced Formula: Ca2B5ClO10
  • Formula Anonymous: AB2C5D10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -139.36971991
  • Final energy per atom: -7.7427622172222215
  • 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.