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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198953

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-1198953
  • 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: 136
  • Number of elements: 3
  • Element list: ['Cs', 'Nb', 'As']
  • Chemical System: As-Cs-Nb
  • Density: 4.242782920090128
  • Atomic Density: 0.02371623503252147
  • Unit Cell Volume: 5734.468384779737
  • Molar Volume: 25.392482203612804
  • Full Formula: Cs72 Nb16 As48
  • Reduced Formula: Cs9(NbAs3)2
  • Formula Anonymous: A2B6C9
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -509.13759474
  • Final energy per atom: -3.7436587848529412
  • 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.