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  1. Third-Parties
  2. MatprojStructure
  3. mp-756194

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-756194
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 3
  • Element list: ['Tm', 'B', 'O']
  • Chemical System: B-O-Tm
  • Density: 4.545895425138636
  • Atomic Density: 0.06979449855580747
  • Unit Cell Volume: 358.19442101170876
  • Molar Volume: 8.628388891116847
  • Full Formula: Tm4 B6 O15
  • Reduced Formula: Tm4(B2O5)3
  • Formula Anonymous: A4B6C15
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -215.15345313
  • Final energy per atom: -8.6061381252
  • 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.