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  1. Third-Parties
  2. MatprojStructure
  3. mp-631378

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-631378
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Cs', 'Nb', 'In', 'As']
  • Chemical System: As-Cs-In-Nb
  • Density: 4.383756685617644
  • Atomic Density: 0.02424335710982453
  • Unit Cell Volume: 1319.949207324596
  • Molar Volume: 24.840374757997314
  • Full Formula: Cs14 Nb2 In6 As10
  • Reduced Formula: Cs7NbIn3As5
  • Formula Anonymous: AB3C5D7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -109.99131408
  • Final energy per atom: -3.437228565
  • 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.