Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-706995

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-706995
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['Zn', 'Co', 'H', 'N', 'Cl']
  • Chemical System: Cl-Co-H-N-Zn
  • Density: 1.9076581705834355
  • Atomic Density: 0.08819769907181055
  • Unit Cell Volume: 1405.9323690410474
  • Molar Volume: 6.8280021172624625
  • Full Formula: Zn4 Co4 H72 N24 Cl20
  • Reduced Formula: ZnCoH18N6Cl5
  • Formula Anonymous: ABC5D6E18
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -607.3676468399999
  • Final energy per atom: -4.898126184193548
  • 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.