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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227351

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-1227351
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'Ag']
  • Chemical System: Ag-Ca-Ga
  • Density: 5.446966042986802
  • Atomic Density: 0.04851813978052255
  • Unit Cell Volume: 206.10847912216263
  • Molar Volume: 12.412142731031848
  • Full Formula: Ca2 Ga7 Ag1
  • Reduced Formula: Ca2Ga7Ag
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -31.71020316
  • Final energy per atom: -3.171020316
  • 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.