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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194641

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-1194641
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Na', 'U', 'Ti', 'F']
  • Chemical System: F-Na-Ti-U
  • Density: 6.233582587149051
  • Atomic Density: 0.07099799279351797
  • Unit Cell Volume: 1126.7924183809307
  • Molar Volume: 8.48212818848847
  • Full Formula: Na6 U12 Ti2 F60
  • Reduced Formula: Na3U6TiF30
  • Formula Anonymous: AB3C6D30
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -578.8712517600001
  • Final energy per atom: -7.235890647000001
  • 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.