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  1. Third-Parties
  2. MatprojStructure
  3. mp-862748

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-862748
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 5
  • Element list: ['Sr', 'Mn', 'Zn', 'As', 'O']
  • Chemical System: As-Mn-O-Sr-Zn
  • Density: 5.418260490325081
  • Atomic Density: 0.05409822486285811
  • Unit Cell Volume: 166.3640539558457
  • Molar Volume: 11.131863892514861
  • Full Formula: Sr2 Mn1 Zn2 As2 O2
  • Reduced Formula: Sr2MnZn2(AsO)2
  • Formula Anonymous: AB2C2D2E2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -47.83336497
  • Final energy per atom: -5.31481833
  • 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.