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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246898

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-1246898
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 3
  • Element list: ['Sn', 'C', 'N']
  • Chemical System: C-N-Sn
  • Density: 1.7357364717005719
  • Atomic Density: 0.05246785705624401
  • Unit Cell Volume: 857.6679613913203
  • Molar Volume: 11.47777153075728
  • Full Formula: Sn3 C24 N18
  • Reduced Formula: Sn(C4N3)2
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 157
  • Spacegroup Symbol: P31m
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -370.02535759
  • Final energy per atom: -8.222785724222222
  • 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.