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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078848

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-1078848
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['Os', 'Br', 'N', 'Cl', 'O']
  • Chemical System: Br-Cl-N-O-Os
  • Density: 3.9951992970536305
  • Atomic Density: 0.056336172441343195
  • Unit Cell Volume: 177.50584689458492
  • Molar Volume: 10.689651957221994
  • Full Formula: Os1 Br1 N5 Cl2 O1
  • Reduced Formula: OsBrN5Cl2O
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -50.93281255
  • Final energy per atom: -5.093281255
  • 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.