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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194813

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-1194813
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Rh', 'Se', 'Br']
  • Chemical System: Br-Rh-Se
  • Density: 4.424609343136057
  • Atomic Density: 0.032451010641134675
  • Unit Cell Volume: 2095.466324669829
  • Molar Volume: 18.557637007355254
  • Full Formula: Rh8 Se36 Br24
  • Reduced Formula: Rh2(Se3Br2)3
  • Formula Anonymous: A2B6C9
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -271.9014671
  • Final energy per atom: -3.9985509867647058
  • 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.