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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046402

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-1046402
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Sr', 'Mn', 'Zn', 'P', 'O']
  • Chemical System: Mn-O-P-Sr-Zn
  • Density: 3.9901248946325905
  • Atomic Density: 0.07850478761653636
  • Unit Cell Volume: 662.3799844411865
  • Molar Volume: 7.671049044060451
  • Full Formula: Sr4 Mn4 Zn4 P8 O32
  • Reduced Formula: SrMnZn(PO4)2
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -392.81947884
  • Final energy per atom: -7.554220746923077
  • 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.