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  1. Third-Parties
  2. MatprojStructure
  3. mp-998333

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-998333
  • 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: 5
  • Number of elements: 3
  • Element list: ['Cs', 'Ca', 'I']
  • Chemical System: Ca-Cs-I
  • Density: 3.795831241609599
  • Atomic Density: 0.02064218855028169
  • Unit Cell Volume: 242.2223781078566
  • Molar Volume: 29.1739451237491
  • Full Formula: Cs1 Ca1 I3
  • Reduced Formula: CsCaI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -16.58662383
  • Final energy per atom: -3.317324766
  • 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.