prompt listlengths 1 1 | answer stringlengths 74 81 | info dict | task stringclasses 1
value |
|---|---|---|---|
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Nd2Y\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Nd2Y", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Nd2Y",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NdInRh2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "NdInRh2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NdInRh2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CoSn2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "CoSn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CoSn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Tc3Ge\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Tc3Ge", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Tc3Ge",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgAg3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "MgAg3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgAg3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Sc2OsPt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Sc2OsPt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Sc2OsPt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaY\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "LaY", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaY",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgGa2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "MgGa2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgGa2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: V3Pt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "V3Pt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "V3Pt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: GaAgS2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "GaAgS2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "GaAgS2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: BaSe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "BaSe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "BaSe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Li2GdTl\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Li2GdTl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Li2GdTl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YAg\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "YAg", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YAg",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Li\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Li", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Li",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Yb3Mg\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Yb3Mg", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Yb3Mg",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ErTl\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ErTl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ErTl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Ca2TlSn\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Ca2TlSn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Ca2TlSn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: AlGa3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "AlGa3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "AlGa3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Tb3Pm\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Tb3Pm", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Tb3Pm",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaIn2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "LaIn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaIn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: KHF2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "KHF2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "KHF2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: KAsSe2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "KAsSe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "KAsSe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgHg2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "MgHg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgHg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SmCdHg2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "SmCdHg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SmCdHg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LuNbRu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "LuNbRu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LuNbRu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Y2AgIr\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Y2AgIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Y2AgIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: FeSiTc2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "FeSiTc2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "FeSiTc2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiCo2Si\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "LiCo2Si", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiCo2Si",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HoGaCo\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "HoGaCo", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HoGaCo",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ThAlRh\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ThAlRh", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ThAlRh",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: C\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "C", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "C",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Li3P\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Li3P", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Li3P",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiSmGe2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "LiSmGe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiSmGe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CeH3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "CeH3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CeH3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CsSbS2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "CsSbS2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CsSbS2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TmAlFe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "TmAlFe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TmAlFe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TmAl2Ni\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "TmAl2Ni", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TmAl2Ni",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SrAsAu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "SrAsAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SrAsAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Tm2GaRu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Tm2GaRu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Tm2GaRu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NdSi2Ru\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "NdSi2Ru", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NdSi2Ru",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: BeAlB\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "BeAlB", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "BeAlB",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MnNbRu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "MnNbRu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MnNbRu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ErSnAu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ErSnAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ErSnAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YSbPt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "YSbPt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YSbPt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: RbMnAs\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "RbMnAs", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "RbMnAs",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Hg2SeS\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Hg2SeS", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Hg2SeS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Th3Pa\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Th3Pa", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Th3Pa",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HfSi2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "HfSi2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HfSi2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Ne\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Ne", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Ne",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Ca2AgAu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Ca2AgAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Ca2AgAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HfN\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "HfN", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HfN",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NiI2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "NiI2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NiI2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ScCrC2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ScCrC2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ScCrC2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PrSbIr\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "PrSbIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PrSbIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: EuZnGe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "EuZnGe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "EuZnGe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HfNiSb\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "HfNiSb", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HfNiSb",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Hf2CS\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Hf2CS", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Hf2CS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ZrNi3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ZrNi3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ZrNi3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ZnCdSe2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ZnCdSe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ZnCdSe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ErHg3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ErHg3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ErHg3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: RbAcTe2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "RbAcTe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "RbAcTe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CsDyS2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "CsDyS2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CsDyS2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ErCuS2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ErCuS2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ErCuS2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: BeVRu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "BeVRu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "BeVRu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NiHgO2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "NiHgO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NiHgO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TbMnSi\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "TbMnSi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TbMnSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ErBiPd\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ErBiPd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ErBiPd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Tm2ZnPt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Tm2ZnPt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Tm2ZnPt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SbRu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "SbRu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SbRu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ErTe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "ErTe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ErTe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Ba2CdSn\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Ba2CdSn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Ba2CdSn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: AlTlSe2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "AlTlSe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "AlTlSe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Ni3Pt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Ni3Pt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Ni3Pt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TmLu3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "TmLu3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TmLu3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Mg3Zn\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Mg3Zn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Mg3Zn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: VOF\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "VOF", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "VOF",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiAgO2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "LiAgO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiAgO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: La2MgAl\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "La2MgAl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "La2MgAl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SmGePd2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "SmGePd2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SmGePd2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HfAlRu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "HfAlRu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HfAlRu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NaNdAu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "NaNdAu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NaNdAu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PdSeS\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "PdSeS", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PdSeS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CrO\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "CrO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CrO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NdOF\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "NdOF", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NdOF",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HgPd\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "HgPd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HgPd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaIn\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "CaIn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaIn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgCdPd2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "MgCdPd2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgCdPd2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Sr2CdHg\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Sr2CdHg", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Sr2CdHg",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaEu3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "CaEu3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaEu3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MnSe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "MnSe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MnSe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaPmPt2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "CaPmPt2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaPmPt2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: BaGe2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "BaGe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "BaGe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: GaN\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "GaN", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "GaN",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Tm2MgAl\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Tm2MgAl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Tm2MgAl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SrO\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "SrO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SrO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HfGeIr\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "HfGeIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HfGeIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Nb3Pd\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Nb3Pd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Nb3Pd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YGa3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "YGa3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YGa3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YAuO2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "YAuO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YAuO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Mg2AgIr\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n",
"role": "user"
}
] | {"composition": "Mg2AgIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Mg2AgIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
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