Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-510728

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-510728
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Mn', 'Co', 'H', 'C', 'N']
  • Chemical System: C-Co-H-Mn-N
  • Density: 1.5671916360383338
  • Atomic Density: 0.09636700425066012
  • Unit Cell Volume: 394.3258410436651
  • Molar Volume: 6.249172947553517
  • Full Formula: Mn1 Co1 H18 C6 N12
  • Reduced Formula: MnCoH18(CN2)6
  • Formula Anonymous: ABC6D12E18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -241.63798063
  • Final energy per atom: -6.358894227105263
  • 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.