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  1. Third-Parties
  2. MatprojStructure
  3. mp-1025549

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-1025549
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Tl', 'V', 'Se']
  • Chemical System: Se-Tl-V
  • Density: 6.559809804492353
  • Atomic Density: 0.032250500812716326
  • Unit Cell Volume: 248.05816338968637
  • Molar Volume: 18.673014707497128
  • Full Formula: Tl3 V1 Se4
  • Reduced Formula: Tl3VSe4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -36.44315584
  • Final energy per atom: -4.55539448
  • 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.