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  1. Third-Parties
  2. MatprojStructure
  3. mp-573631

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-573631
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 2
  • Element list: ['Cs', 'As']
  • Chemical System: As-Cs
  • Density: 3.82449686788029
  • Atomic Density: 0.024948513777706932
  • Unit Cell Volume: 3206.603836717722
  • Molar Volume: 24.13827458283772
  • Full Formula: Cs24 As56
  • Reduced Formula: Cs3As7
  • Formula Anonymous: A3B7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -313.49125694
  • Final energy per atom: -3.91864071175
  • 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.