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  1. Third-Parties
  2. MatprojStructure
  3. mp-623087

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-623087
  • 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: 34
  • Number of elements: 3
  • Element list: ['Re', 'Te', 'Br']
  • Chemical System: Br-Re-Te
  • Density: 5.78164242920793
  • Atomic Density: 0.029431121078551795
  • Unit Cell Volume: 1155.239717483199
  • Molar Volume: 20.46181232419546
  • Full Formula: Re6 Te14 Br14
  • Reduced Formula: Re3(TeBr)7
  • Formula Anonymous: A3B7C7
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -164.89879161
  • Final energy per atom: -4.849964459117647
  • 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.