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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216957

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-1216957
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Tl', 'Ge', 'Sb', 'O']
  • Chemical System: Ge-O-Sb-Tl
  • Density: 6.301229938235768
  • Atomic Density: 0.06340593990570713
  • Unit Cell Volume: 1009.3691552428103
  • Molar Volume: 9.4977548932414
  • Full Formula: Tl8 Ge8 Sb8 O40
  • Reduced Formula: TlGeSbO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -404.47367022
  • Final energy per atom: -6.3199010971875
  • 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.