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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173144

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-1173144
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ta', 'Os', 'Se']
  • Chemical System: Os-Se-Ta
  • Density: 0.5711600747535472
  • Atomic Density: 0.0030175345557598675
  • Unit Cell Volume: 5965.134671164449
  • Molar Volume: 199.57155912282573
  • Full Formula: Ta4 Os2 Se12
  • Reduced Formula: Ta2OsSe6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -88.20167162
  • Final energy per atom: -4.9000928677777775
  • 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.