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  1. Third-Parties
  2. MatprojStructure
  3. mp-697817

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-697817
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 5
  • Element list: ['Na', 'Sr', 'Zn', 'Fe', 'F']
  • Chemical System: F-Fe-Na-Sr-Zn
  • Density: 3.897432198584582
  • Atomic Density: 0.07107447911326993
  • Unit Cell Volume: 1378.8352897222
  • Molar Volume: 8.473000203635173
  • Full Formula: Na4 Sr12 Zn2 Fe12 F68
  • Reduced Formula: Na2Sr6ZnFe6F34
  • Formula Anonymous: AB2C6D6E34
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -579.99139883
  • Final energy per atom: -5.918279579897959
  • 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.