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  1. Third-Parties
  2. MatprojStructure
  3. mp-1307235

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-1307235
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 6
  • Element list: ['Ca', 'Mn', 'Zn', 'As', 'H', 'O']
  • Chemical System: As-Ca-H-Mn-O-Zn
  • Density: 4.047109337882214
  • Atomic Density: 0.09269250680783793
  • Unit Cell Volume: 776.7618168884369
  • Molar Volume: 6.496901386521545
  • Full Formula: Ca4 Mn4 Zn4 As8 H12 O40
  • Reduced Formula: CaMnZnAs2H3O10
  • Formula Anonymous: ABCD2E3F10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -463.13172843
  • Final energy per atom: -6.432385117083333
  • 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.