Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-680388

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-680388
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'Te', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Te-Zn
  • Density: 4.09292145963011
  • Atomic Density: 0.05251840766301117
  • Unit Cell Volume: 1218.6203437594957
  • Molar Volume: 11.466723817373861
  • Full Formula: Zn8 Cu8 Te8 Cl16 O24
  • Reduced Formula: ZnCuTeCl2O3
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -304.19436818
  • Final energy per atom: -4.7530370028125
  • 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.