Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218766

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-1218766
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['Sr', 'Mn', 'Ga', 'O', 'F']
  • Chemical System: F-Ga-Mn-O-Sr
  • Density: 5.445391151720516
  • Atomic Density: 0.08220908500997777
  • Unit Cell Volume: 121.64105705332074
  • Molar Volume: 7.3253956777028835
  • Full Formula: Sr2 Mn1 Ga1 O5 F1
  • Reduced Formula: Sr2MnGaO5F
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -68.96999311
  • Final energy per atom: -6.896999311
  • 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.