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Materials Project

The Materials Project at Berkeley National Labs

Source Website Cite API JSON Python-client

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Filter mix-ins: ['Structure', 'Thermodynamics']

Extra filters: ['energy_uncorrected__range', 'band_gap__range', 'is_gap_direct', 'is_magnetic', 'total_magnetization__range', 'is_theoretical']

Nelements is in range

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Formula anonymous

Formula full

Formula reduced

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Nsites is in range

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Density is in range

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Density atomic is in range

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Volume is in range

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Volume molar is in range

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Spacegroup number

Spacegroup symbol

Spacegroup crystal system

Spacegroup point group

Energy is in range

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Energy per atom is in range

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Is stable

Formation energy is in range

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Formation energy is in range

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This table includes 146323 results that match your search criteria. These results were filtered from the 146323 total possible results.

ID	Dashboards	Full Formula	Spacegroup	Density
mp-1197717	simmate / provider	Pr₂ H₁₆ C₄ S₄ I₆ N₈ O₁₈	15	3.009
mp-1205229	simmate / provider	Ni₁ H₂₄ C₄ S₄ N₈ Cl₂ O₈	2	1.586
mp-738637	simmate / provider	Na₆ Bi₄ H₈₄ C₃₆ I₁₈ N₁₂ O₁₈	2	2.423
mp-1198245	simmate / provider	Ga₁ Si₆ Bi₁ H₅₄ C₁₈ N₄ Cl₄	1	1.352
mp-1195523	simmate / provider	Tb₄ H₄₀ C₂₄ S₂₄ N₁₂ O₆₈ F₇₂	14	2.203
mp-556173	simmate / provider	Zn₁ As₂ C₆ S₁₂ N₁₂ O₆ F₁₂	147	2.208
mp-1218668	simmate / provider	Sr₆ Ca₁ Y₂ Ti₁ Cu₆ Hg₂ O₂₀	47	5.912
mp-728213	simmate / provider	Zn₂ Cr₂ H₅₆ C₁₂ N₂₄ Cl₁₀ O₁₆	2	1.627
mp-698491	simmate / provider	Na₂ Ca₄ Al₈ H₁₆ C₈ Cl₂ O₄₀	129	2.434
mp-728749	simmate / provider	V₈ P₄ H₄₀ C₈ N₈ O₃₂ F₄	19	2.306
mp-1199187	simmate / provider	Zn₂ H₂₄ C₄ S₄ N₈ Cl₄ O₈	31	1.765
mp-728472	simmate / provider	Fe₂ P₄ H₄₈ C₁₆ S₈ N₂ Cl₂ O₈	2	1.472

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Workflow Type

Materials Project

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