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  1. Third-Parties
  2. MatprojStructure
  3. mp-770332

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-770332
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Na', 'Bi', 'C', 'S', 'O']
  • Chemical System: Bi-C-Na-O-S
  • Density: 3.3768722594206535
  • Atomic Density: 0.05764741743195789
  • Unit Cell Volume: 381.6302790314402
  • Molar Volume: 10.446505720933681
  • Full Formula: Na2 Bi2 C2 S2 O14
  • Reduced Formula: NaBiCSO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -148.1944599
  • Final energy per atom: -6.736111813636364
  • 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.