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  1. Third-Parties
  2. MatprojStructure
  3. mp-558597

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-558597
  • 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', 'Y', 'F']
  • Chemical System: F-Li-Na-Y
  • Density: 3.7647012403007536
  • Atomic Density: 0.07562865491157875
  • Unit Cell Volume: 317.3400350443837
  • Molar Volume: 7.9627764992525485
  • Full Formula: Na2 Li2 Y4 F16
  • Reduced Formula: NaLiY2F8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -158.9049844
  • Final energy per atom: -6.621041016666666
  • 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.