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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189325

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-1189325
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 5
  • Element list: ['U', 'Tl', 'B', 'O', 'F']
  • Chemical System: B-F-O-Tl-U
  • Density: 4.44462830395551
  • Atomic Density: 0.07354844736145663
  • Unit Cell Volume: 258.333121658215
  • Molar Volume: 8.187991692610398
  • Full Formula: U1 Tl1 B5 O11 F1
  • Reduced Formula: UTlB5O11F
  • Formula Anonymous: ABCD5E11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -156.48025423
  • Final energy per atom: -8.235802854210528
  • 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.