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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227210

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-1227210
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Si', 'N']
  • Chemical System: Al-Ca-N-Si
  • Density: 3.1327502382437844
  • Atomic Density: 0.08272249566659291
  • Unit Cell Volume: 423.1013549333061
  • Molar Volume: 7.279931186157399
  • Full Formula: Ca6 Al3 Si8 N18
  • Reduced Formula: Ca6Al3(Si4N9)2
  • Formula Anonymous: A3B6C8D18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -264.23437602
  • Final energy per atom: -7.5495536005714285
  • 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.