Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219906

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-1219906
  • 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: 11
  • Number of elements: 3
  • Element list: ['Pt', 'Br', 'N']
  • Chemical System: Br-N-Pt
  • Density: 3.8525263909065055
  • Atomic Density: 0.034933998814619754
  • Unit Cell Volume: 314.87949771717916
  • Molar Volume: 17.23862416082683
  • Full Formula: Pt1 Br6 N4
  • Reduced Formula: Pt(Br3N2)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 22
  • Spacegroup Symbol: F222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -35.6052623
  • Final energy per atom: -3.2368420272727274
  • 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.