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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209401

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-1209401
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Sr', 'Re', 'I', 'O']
  • Chemical System: I-O-Re-Sr
  • Density: 5.765944134198555
  • Atomic Density: 0.06111394744730181
  • Unit Cell Volume: 1570.8361840442433
  • Molar Volume: 9.853954803349685
  • Full Formula: Sr20 Re12 I4 O60
  • Reduced Formula: Sr5Re3IO15
  • Formula Anonymous: AB3C5D15
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -746.84258486
  • Final energy per atom: -7.779610258958333
  • 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.