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  1. Third-Parties
  2. MatprojStructure
  3. mp-554025

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-554025
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['S', 'N', 'F']
  • Chemical System: F-N-S
  • Density: 2.0505560668205893
  • Atomic Density: 0.056932769433196535
  • Unit Cell Volume: 316.1623820376548
  • Molar Volume: 10.577635375820293
  • Full Formula: S6 N6 F6
  • Reduced Formula: SNF
  • Formula Anonymous: ABC
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -97.03142374
  • Final energy per atom: -5.3906346522222215
  • 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.