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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199949

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-1199949
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Tm', 'B', 'O', 'F']
  • Chemical System: B-F-O-Tm
  • Density: 7.599812663650586
  • Atomic Density: 0.08884666526304198
  • Unit Cell Volume: 495.2352445613163
  • Molar Volume: 6.778128072866526
  • Full Formula: Tm10 B4 O12 F18
  • Reduced Formula: Tm5B2(O2F3)3
  • Formula Anonymous: A2B5C6D9
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -343.38172015
  • Final energy per atom: -7.804130003409091
  • 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.