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  1. Third-Parties
  2. MatprojStructure
  3. mp-565400

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-565400
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 7
  • Element list: ['Re', 'As', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: As-C-F-N-O-Re-S
  • Density: 2.8316815120713503
  • Atomic Density: 0.06171734297623246
  • Unit Cell Volume: 1361.0436864132123
  • Molar Volume: 9.757615071535314
  • Full Formula: Re4 As4 C20 S4 N4 O20 F28
  • Reduced Formula: ReAsC5SNO5F7
  • Formula Anonymous: ABCDE5F5G7
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -582.84943037
  • Final energy per atom: -6.938683694880953
  • 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.