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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229300

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-1229300
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'Os', 'I']
  • Chemical System: Ca-I-La-Os
  • Density: 5.062896487834484
  • Atomic Density: 0.023220120986075145
  • Unit Cell Volume: 4306.609774340492
  • Molar Volume: 25.93501025947028
  • Full Formula: Ca3 La32 Os5 I60
  • Reduced Formula: Ca3La32(OsI12)5
  • Formula Anonymous: A3B5C32D60
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -471.80879666
  • Final energy per atom: -4.7180879666
  • 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.