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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202419

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-1202419
  • 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: 62
  • Number of elements: 5
  • Element list: ['Ca', 'Re', 'C', 'N', 'O']
  • Chemical System: C-Ca-N-O-Re
  • Density: 2.1237140863602795
  • Atomic Density: 0.04831418345041888
  • Unit Cell Volume: 1283.26705683903
  • Molar Volume: 12.46454007896058
  • Full Formula: Ca2 Re4 C10 N20 O26
  • Reduced Formula: CaRe2C5N10O13
  • Formula Anonymous: AB2C5D10E13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -485.42482386
  • Final energy per atom: -7.8294326429032255
  • 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.