Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-727994

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-727994
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['Sn', 'P', 'C', 'N', 'O']
  • Chemical System: C-N-O-P-Sn
  • Density: 3.0453386155468696
  • Atomic Density: 0.05183280457896874
  • Unit Cell Volume: 1774.937720374274
  • Molar Volume: 11.618396513399345
  • Full Formula: Sn16 P12 C4 N12 O48
  • Reduced Formula: Sn4P3C(NO4)3
  • Formula Anonymous: AB3C3D4E12
  • Spacegroup Number: 78
  • Spacegroup Symbol: P4_3
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -641.40513335
  • Final energy per atom: -6.971794927717392
  • 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.