Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1194608

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-1194608
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Re', 'Xe', 'O', 'F']
  • Chemical System: F-O-Re-Xe
  • Density: 4.495025625704249
  • Atomic Density: 0.0536314591657892
  • Unit Cell Volume: 578.0189553331134
  • Molar Volume: 11.22874680956181
  • Full Formula: Re4 Xe3 O10 F14
  • Reduced Formula: Re4Xe3(O5F7)2
  • Formula Anonymous: A3B4C10D14
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -184.47684283
  • Final energy per atom: -5.950865897741936
  • 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.