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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180681

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-1180681
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 6
  • Element list: ['Os', 'C', 'I', 'N', 'O', 'F']
  • Chemical System: C-F-I-N-O-Os
  • Density: 2.9883534448927933
  • Atomic Density: 0.03719302109214445
  • Unit Cell Volume: 1935.8470456493017
  • Molar Volume: 16.191588053792003
  • Full Formula: Os4 C32 I16 N12 O4 F4
  • Reduced Formula: OsC8I4N3OF
  • Formula Anonymous: ABCD3E4F8
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -438.12705215000005
  • Final energy per atom: -6.085097946527778
  • 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.