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  1. Third-Parties
  2. MatprojStructure
  3. mp-561011

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-561011
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 4
  • Element list: ['Li', 'Ta', 'O', 'F']
  • Chemical System: F-Li-O-Ta
  • Density: 4.518866533086288
  • Atomic Density: 0.06578549128363599
  • Unit Cell Volume: 592.8358858315796
  • Molar Volume: 9.154208082197595
  • Full Formula: Li6 Ta6 O9 F18
  • Reduced Formula: Li2Ta2(OF2)3
  • Formula Anonymous: A2B2C3D6
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -297.14436408
  • Final energy per atom: -7.619086258461539
  • 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.