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  1. Third-Parties
  2. MatprojStructure
  3. mp-664427

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-664427
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Sc', 'Cr', 'Ag', 'H', 'O']
  • Chemical System: Ag-Cr-H-O-Sc
  • Density: 3.2755495645340997
  • Atomic Density: 0.08437007455717539
  • Unit Cell Volume: 213.3457875256691
  • Molar Volume: 7.13776868351462
  • Full Formula: Sc1 Cr2 Ag1 H4 O10
  • Reduced Formula: ScCr2Ag(H2O5)2
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -84.71337426
  • Final energy per atom: -4.7062985699999995
  • 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.