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  1. Third-Parties
  2. MatprojStructure
  3. mp-505639

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-505639
  • 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: 68
  • Number of elements: 3
  • Element list: ['Rb', 'Ti', 'Te']
  • Chemical System: Rb-Te-Ti
  • Density: 4.699894480496234
  • Atomic Density: 0.026677593167553804
  • Unit Cell Volume: 2548.9555812967383
  • Molar Volume: 22.573778384642033
  • Full Formula: Rb12 Ti12 Te44
  • Reduced Formula: Rb3Ti3Te11
  • Formula Anonymous: A3B3C11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -312.41602904
  • Final energy per atom: -4.594353368235295
  • 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.