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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219124

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-1219124
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 3
  • Element list: ['Sr', 'Ga', 'As']
  • Chemical System: As-Ga-Sr
  • Density: 4.568149585655767
  • Atomic Density: 0.03373012690743111
  • Unit Cell Volume: 3083.2970265844947
  • Molar Volume: 17.853892979789702
  • Full Formula: Sr56 Ga4 As44
  • Reduced Formula: Sr14GaAs11
  • Formula Anonymous: AB11C14
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -426.49941865
  • Final energy per atom: -4.100955948557692
  • 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.