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  1. Third-Parties
  2. MatprojStructure
  3. mp-18576

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-18576
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Tm', 'Cu', 'B', 'O']
  • Chemical System: B-Cu-O-Tm
  • Density: 6.493391273659868
  • Atomic Density: 0.10994249831088614
  • Unit Cell Volume: 309.25256859142553
  • Molar Volume: 5.477536760144468
  • Full Formula: Tm4 Cu2 B8 O20
  • Reduced Formula: Tm2Cu(B2O5)2
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -281.71775981
  • Final energy per atom: -8.285816465
  • 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.