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  1. Third-Parties
  2. MatprojStructure
  3. mp-734008

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-734008
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Sb', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-Sb
  • Density: 2.2990805990268366
  • Atomic Density: 0.0327426947237177
  • Unit Cell Volume: 1588.1405131365977
  • Molar Volume: 18.39231868609081
  • Full Formula: Sb8 N12 Cl28 O4
  • Reduced Formula: Sb2N3Cl7O
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -193.81753964
  • Final energy per atom: -3.727260377692308
  • 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.