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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219021

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-1219021
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Sn', 'Ir', 'Os']
  • Chemical System: Ir-Os-Sn
  • Density: 10.882022859539385
  • Atomic Density: 0.04662171905085584
  • Unit Cell Volume: 428.9846107601401
  • Molar Volume: 12.917028549356871
  • Full Formula: Sn14 Ir4 Os2
  • Reduced Formula: Sn7Ir2Os
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -117.88342102
  • Final energy per atom: -5.894171051
  • 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.