Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1204740

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-1204740
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Te', 'As', 'Xe', 'O', 'F']
  • Chemical System: As-F-O-Te-Xe
  • Density: 3.361782374886001
  • Atomic Density: 0.05635427519338956
  • Unit Cell Volume: 567.8362447247596
  • Molar Volume: 10.686218107382217
  • Full Formula: Te2 As2 Xe2 O4 F22
  • Reduced Formula: TeAsXeO2F11
  • Formula Anonymous: ABCD2E11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -135.17229598
  • Final energy per atom: -4.224134249375
  • 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.