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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220895

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-1220895
  • 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: 82
  • Number of elements: 3
  • Element list: ['Na', 'B', 'Se']
  • Chemical System: B-Na-Se
  • Density: 3.215348071305382
  • Atomic Density: 0.04740073977864932
  • Unit Cell Volume: 1729.930806627098
  • Molar Volume: 12.704740027522835
  • Full Formula: Na12 B36 Se34
  • Reduced Formula: Na6B18Se17
  • Formula Anonymous: A6B17C18
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -427.81278611
  • Final energy per atom: -5.217229098902439
  • 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.