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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217203

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-1217203
  • 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: 28
  • Number of elements: 5
  • Element list: ['Ti', 'Bi', 'W', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Ti-W
  • Density: 8.295393278722848
  • Atomic Density: 0.06271249569642862
  • Unit Cell Volume: 446.4819919707734
  • Molar Volume: 9.60277643733281
  • Full Formula: Ti1 Bi8 W1 Cl2 O16
  • Reduced Formula: TiBi8W(ClO8)2
  • Formula Anonymous: ABC2D8E16
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -189.37332189
  • Final energy per atom: -6.7633329246428575
  • 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.