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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209986

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-1209986
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Er', 'F']
  • Chemical System: Er-F-Li-Na
  • Density: 5.5113630781568625
  • Atomic Density: 0.07712135771320774
  • Unit Cell Volume: 311.19784080110634
  • Molar Volume: 7.80865500630139
  • Full Formula: Na2 Li2 Er4 F16
  • Reduced Formula: NaLiEr2F8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -152.09221731
  • Final energy per atom: -6.3371757212499995
  • 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.