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  1. Third-Parties
  2. MatprojStructure
  3. mp-1028166

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-1028166
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Y', 'Mg']
  • Chemical System: Ca-Mg-Y
  • Density: 1.9608919708732053
  • Atomic Density: 0.04026398067598804
  • Unit Cell Volume: 397.3775004700867
  • Molar Volume: 14.956645266798928
  • Full Formula: Ca1 Y1 Mg14
  • Reduced Formula: CaYMg14
  • Formula Anonymous: ABC14
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -30.66412899
  • Final energy per atom: -1.916508061875
  • 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.