Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1191603

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-1191603
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Yb', 'Cu', 'Te', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Te-Yb
  • Density: 5.47686682442312
  • Atomic Density: 0.059710910254809825
  • Unit Cell Volume: 418.6839539594224
  • Molar Volume: 10.085494818788005
  • Full Formula: Yb2 Cu3 Te4 Cl4 O12
  • Reduced Formula: Yb2Cu3Te4(ClO3)4
  • Formula Anonymous: A2B3C4D4E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -137.26905582
  • Final energy per atom: -5.4907622328
  • 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.