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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209479

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-1209479
  • 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: 48
  • Number of elements: 4
  • Element list: ['Sb', 'N', 'Cl', 'F']
  • Chemical System: Cl-F-N-Sb
  • Density: 2.7705841422424307
  • Atomic Density: 0.04386614632764653
  • Unit Cell Volume: 1094.2379036780835
  • Molar Volume: 13.728447251826543
  • Full Formula: Sb8 N8 Cl8 F24
  • Reduced Formula: SbNClF3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -200.92142452
  • Final energy per atom: -4.185863010833333
  • 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.