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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219864

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-1219864
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Rb', 'Cu', 'Bi', 'Se']
  • Chemical System: Bi-Cu-Rb-Se
  • Density: 6.372640794701467
  • Atomic Density: 0.033691655174498424
  • Unit Cell Volume: 1721.4945273422134
  • Molar Volume: 17.87427993314565
  • Full Formula: Rb6 Cu6 Bi16 Se30
  • Reduced Formula: Rb3Cu3Bi8Se15
  • Formula Anonymous: A3B3C8D15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -240.1721699
  • Final energy per atom: -4.140899481034483
  • 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.