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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202889

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-1202889
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 6
  • Element list: ['Na', 'Zn', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-Na-O-P-Zn
  • Density: 2.890600840657674
  • Atomic Density: 0.09374194050049509
  • Unit Cell Volume: 1109.4287086947036
  • Molar Volume: 6.424169083600519
  • Full Formula: Na8 Zn8 P8 H16 C16 O48
  • Reduced Formula: NaZnPH2(CO3)2
  • Formula Anonymous: ABCD2E2F6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -678.74414508
  • Final energy per atom: -6.5263860103846145
  • 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.