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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209869

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-1209869
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Sm', 'Ta', 'Br', 'O']
  • Chemical System: Br-O-Sm-Ta
  • Density: 5.806835033322262
  • Atomic Density: 0.034626363246939885
  • Unit Cell Volume: 2656.935102999317
  • Molar Volume: 17.391779543964116
  • Full Formula: Sm4 Ta24 Br52 O12
  • Reduced Formula: SmTa6Br13O3
  • Formula Anonymous: AB3C6D13
  • Spacegroup Number: 98
  • Spacegroup Symbol: I4_122
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -615.2639909699999
  • Final energy per atom: -6.687652075760869
  • 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.