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  1. Third-Parties
  2. MatprojStructure
  3. mp-867626

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-867626
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Tl', 'Os', 'O']
  • Chemical System: O-Os-Tl
  • Density: 10.42847336582371
  • Atomic Density: 0.07477321063873062
  • Unit Cell Volume: 855.9215185933133
  • Molar Volume: 8.053874788252953
  • Full Formula: Tl12 Os12 O40
  • Reduced Formula: Tl3Os3O10
  • Formula Anonymous: A3B3C10
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -448.66199453
  • Final energy per atom: -7.01034366453125
  • 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.