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  1. Third-Parties
  2. MatprojStructure
  3. mp-725512

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-725512
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Y', 'N', 'F']
  • Chemical System: F-N-Y
  • Density: 3.8738450122129766
  • Atomic Density: 0.06938559864907023
  • Unit Cell Volume: 403.5419531596878
  • Molar Volume: 8.679237301760596
  • Full Formula: Y6 N2 F20
  • Reduced Formula: Y3NF10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -189.46970907
  • Final energy per atom: -6.766775323928571
  • 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.