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  1. Third-Parties
  2. MatprojStructure
  3. mp-614628

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-614628
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'B', 'O']
  • Chemical System: B-Ca-Na-O
  • Density: 2.3659929819451477
  • Atomic Density: 0.08378879802677508
  • Unit Cell Volume: 453.5212450220008
  • Molar Volume: 7.1872862504551005
  • Full Formula: Na6 Ca2 B10 O20
  • Reduced Formula: Na3Ca(BO2)5
  • Formula Anonymous: AB3C5D10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -284.56329074
  • Final energy per atom: -7.488507651052632
  • 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.