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  1. Third-Parties
  2. MatprojStructure
  3. mp-979340

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-979340
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'Ta', 'N', 'F']
  • Chemical System: F-Li-N-Sr-Ta
  • Density: 5.73459328774316
  • Atomic Density: 0.06513684508724776
  • Unit Cell Volume: 982.5468199185115
  • Molar Volume: 9.245367582561949
  • Full Formula: Sr16 Li8 Ta8 N24 F8
  • Reduced Formula: Sr2LiTaN3F
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -468.14534828
  • Final energy per atom: -7.314771066875
  • 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.