Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1196302

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-1196302
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 4
  • Element list: ['Mn', 'Te', 'H', 'N']
  • Chemical System: H-Mn-N-Te
  • Density: 2.617209069917882
  • Atomic Density: 0.06847346050254245
  • Unit Cell Volume: 1694.0870104804017
  • Molar Volume: 8.794853824828081
  • Full Formula: Mn4 Te16 H72 N24
  • Reduced Formula: MnTe4(H3N)6
  • Formula Anonymous: AB4C6D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -576.5335997100001
  • Final energy per atom: -4.970117238879311
  • 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.