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  1. Third-Parties
  2. MatprojStructure
  3. mp-19293

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-19293
  • 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: 56
  • Number of elements: 4
  • Element list: ['Sr', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-O-Sr
  • Density: 4.841085360725731
  • Atomic Density: 0.06846309205062151
  • Unit Cell Volume: 817.9589662499276
  • Molar Volume: 8.796185769037773
  • Full Formula: Sr16 Fe8 O24 F8
  • Reduced Formula: Sr2FeO3F
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -390.02936125
  • Final energy per atom: -6.964810022321429
  • 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.