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  1. Third-Parties
  2. MatprojStructure
  3. mp-1006611

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-1006611
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 111
  • Number of elements: 5
  • Element list: ['Sb', 'S', 'N', 'O', 'F']
  • Chemical System: F-N-O-S-Sb
  • Density: 2.6294902096296875
  • Atomic Density: 0.05388839295829176
  • Unit Cell Volume: 2059.812770551743
  • Molar Volume: 11.175209408565928
  • Full Formula: Sb12 S9 N18 O36 F36
  • Reduced Formula: Sb4S3N6(OF)12
  • Formula Anonymous: A3B4C6D12E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -577.70489752
  • Final energy per atom: -5.204548626306306
  • 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.