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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201854

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-1201854
  • 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: 69
  • Number of elements: 4
  • Element list: ['Tl', 'Cu', 'B', 'O']
  • Chemical System: B-Cu-O-Tl
  • Density: 2.6338148321705424
  • Atomic Density: 0.05739751856310024
  • Unit Cell Volume: 1202.142561688351
  • Molar Volume: 10.491988000107582
  • Full Formula: Tl4 Cu3 B18 O44
  • Reduced Formula: Tl4Cu3(B9O22)2
  • Formula Anonymous: A3B4C18D44
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -479.99743651
  • Final energy per atom: -6.956484587101449
  • 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.