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  1. Third-Parties
  2. MatprojStructure
  3. mp-556762

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-556762
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['B', 'S', 'N', 'O', 'F']
  • Chemical System: B-F-N-O-S
  • Density: 2.1939675831504624
  • Atomic Density: 0.06817463410322709
  • Unit Cell Volume: 381.3735173207079
  • Molar Volume: 8.833403859390774
  • Full Formula: B2 S4 N4 O2 F14
  • Reduced Formula: BS2N2OF7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -144.61476401
  • Final energy per atom: -5.562106308076922
  • 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.