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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203872

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-1203872
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 4
  • Element list: ['Na', 'Cu', 'B', 'O']
  • Chemical System: B-Cu-Na-O
  • Density: 2.666103443973893
  • Atomic Density: 0.09299741472487454
  • Unit Cell Volume: 795.7210447077816
  • Molar Volume: 6.4756001850331275
  • Full Formula: Na4 Cu4 B24 O42
  • Reduced Formula: Na2Cu2(B4O7)3
  • Formula Anonymous: A2B2C12D21
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -582.60175008
  • Final energy per atom: -7.872996622702702
  • 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.