Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212800

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-1212800
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Fe', 'Te', 'H', 'Cl', 'O']
  • Chemical System: Cl-Fe-H-O-Te
  • Density: 4.857833486752965
  • Atomic Density: 0.06879024717994564
  • Unit Cell Volume: 290.738888431129
  • Molar Volume: 8.754352552690973
  • Full Formula: Fe2 Te4 H1 Cl1 O12
  • Reduced Formula: Fe2Te4HClO12
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -122.00316095000002
  • Final energy per atom: -6.100158047500001
  • 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.