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  1. Third-Parties
  2. MatprojStructure
  3. mp-729075

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-729075
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Sn', 'C', 'S', 'N', 'O']
  • Chemical System: C-N-O-S-Sn
  • Density: 2.7159971919281296
  • Atomic Density: 0.038704634712348744
  • Unit Cell Volume: 2480.3231115205726
  • Molar Volume: 15.559223862352152
  • Full Formula: Sn20 C24 S36 N8 O8
  • Reduced Formula: Sn5C6S9(NO)2
  • Formula Anonymous: A2B2C5D6E9
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -570.40818099
  • Final energy per atom: -5.9417518853125
  • 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.