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  1. Third-Parties
  2. MatprojStructure
  3. mp-582185

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-582185
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cs', 'Nb', 'In', 'As']
  • Chemical System: As-Cs-In-Nb
  • Density: 4.626181581622576
  • Atomic Density: 0.025567783109981482
  • Unit Cell Volume: 2190.2563769065296
  • Molar Volume: 23.553628932533453
  • Full Formula: Cs24 Nb2 In12 As18
  • Reduced Formula: Cs12Nb(In2As3)3
  • Formula Anonymous: AB6C9D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -182.85391045
  • Final energy per atom: -3.2652484008928573
  • 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.