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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208411

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-1208411
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 5
  • Element list: ['Ti', 'Tl', 'Si', 'P', 'O']
  • Chemical System: O-P-Si-Ti-Tl
  • Density: 3.1302216571480046
  • Atomic Density: 0.07045308872038995
  • Unit Cell Volume: 1050.344297802
  • Molar Volume: 8.547731361928383
  • Full Formula: Ti6 Tl2 Si4 P12 O50
  • Reduced Formula: Ti3TlSi2P6O25
  • Formula Anonymous: AB2C3D6E25
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -603.73722754
  • Final energy per atom: -8.158611182972974
  • 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.