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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192032

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-1192032
  • 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: 23
  • Number of elements: 6
  • Element list: ['Na', 'Sr', 'Be', 'B', 'O', 'F']
  • Chemical System: B-Be-F-Na-O-Sr
  • Density: 3.3831818874904087
  • Atomic Density: 0.08289327850381428
  • Unit Cell Volume: 277.46519880911296
  • Molar Volume: 7.264932535782011
  • Full Formula: Na1 Sr3 Be3 B3 O9 F4
  • Reduced Formula: NaSr3Be3B3O9F4
  • Formula Anonymous: AB3C3D3E4F9
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -165.44475748
  • Final energy per atom: -7.193250325217391
  • 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.