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: YHoMg2\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": "YHoMg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YHoMg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PrScSi\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": "PrScSi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PrScSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ZnSiAsP\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": "ZnSiAsP", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ZnSiAsP",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: KTlSe2\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": "KTlSe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "KTlSe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SCl2O\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": "SCl2O", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SCl2O",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YbGdZn2\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": "YbGdZn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YbGdZn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Ti2N\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": "Ti2N", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Ti2N",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: AcAl3\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": "AcAl3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "AcAl3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ScFeC2\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": "ScFeC2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ScFeC2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: GaTe\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": "GaTe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "GaTe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SbAs\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": "SbAs", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SbAs",
"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: AcBr3\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": "AcBr3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "AcBr3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YTe2\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": "YTe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YTe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaPmAu2\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": "CaPmAu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaPmAu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TiZn\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": "TiZn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TiZn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Be2CuRu\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": "Be2CuRu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Be2CuRu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TiH\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": "TiH", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TiH",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ScInPd2\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": "ScInPd2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ScInPd2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Na3Hg\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": "Na3Hg", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Na3Hg",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiN3\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": "LiN3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiN3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Dy\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": "Dy", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Dy",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Yb\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": "Yb", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Yb",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TiCrAs\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": "TiCrAs", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TiCrAs",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: KAlO2\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": "KAlO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "KAlO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: DyTlPd\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": "DyTlPd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "DyTlPd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiEuO2\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": "LiEuO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiEuO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CrNi3\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": "CrNi3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CrNi3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ZrBeB\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": "ZrBeB", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ZrBeB",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SmSe\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": "SmSe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SmSe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CeMg2\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": "CeMg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CeMg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: GdGeRh\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": "GdGeRh", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "GdGeRh",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MnI2\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": "MnI2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MnI2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: EuAs\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": "EuAs", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "EuAs",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YbZnPd\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": "YbZnPd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YbZnPd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TiCuNi2\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": "TiCuNi2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TiCuNi2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YbSb2\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": "YbSb2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YbSb2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HfZrTc2\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": "HfZrTc2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HfZrTc2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TbCuS2\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": "TbCuS2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TbCuS2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: GaHg3\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": "GaHg3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "GaHg3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: DyYAg2\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": "DyYAg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "DyYAg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: DyTeAs\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": "DyTeAs", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "DyTeAs",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YPbAu\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": "YPbAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YPbAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HoCuSi\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": "HoCuSi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HoCuSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ThSeO\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": "ThSeO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ThSeO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Sm2ZnRu\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": "Sm2ZnRu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Sm2ZnRu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MnVRu2\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": "MnVRu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MnVRu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaAsS\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": "LaAsS", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaAsS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NiSeS\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": "NiSeS", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NiSeS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiHg3\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": "LiHg3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiHg3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgCuO2\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": "MgCuO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgCuO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Ti2NbAl\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": "Ti2NbAl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Ti2NbAl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SrCdGa\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": "SrCdGa", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SrCdGa",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SrEu3\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": "SrEu3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SrEu3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HfZrFe2\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": "HfZrFe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HfZrFe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Pm2SnHg\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": "Pm2SnHg", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Pm2SnHg",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Sc2TcAu\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": "Sc2TcAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Sc2TcAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaCdAu\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": "CaCdAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaCdAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TmRe2\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": "TmRe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TmRe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Sb2Pd\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": "Sb2Pd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Sb2Pd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PrNdMg2\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": "PrNdMg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PrNdMg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NaMnO2\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": "NaMnO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NaMnO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SmIO\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": "SmIO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SmIO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PrHgPd\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": "PrHgPd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PrHgPd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TlF\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": "TlF", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TlF",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiCrO2\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": "LiCrO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiCrO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ScCuSn\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": "ScCuSn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ScCuSn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Br2O\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": "Br2O", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Br2O",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: DyYZn2\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": "DyYZn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "DyYZn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: UO2\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": "UO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "UO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: GdThRu2\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": "GdThRu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "GdThRu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YbNi2Sn\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": "YbNi2Sn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YbNi2Sn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NdSiNi\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": "NdSiNi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NdSiNi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TbC2\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": "TbC2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TbC2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TcPt3\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": "TcPt3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TcPt3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NdCdGa\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": "NdCdGa", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NdCdGa",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: FeNiGe\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": "FeNiGe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "FeNiGe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YbCdGe\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": "YbCdGe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YbCdGe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Li2In\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": "Li2In", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Li2In",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MnAlCo2\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": "MnAlCo2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MnAlCo2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Na2TlSb\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": "Na2TlSb", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Na2TlSb",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaYbIn2\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": "CaYbIn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaYbIn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaZn\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": "CaZn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaZn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PrYMg2\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": "PrYMg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PrYMg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: KAu2\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": "KAu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "KAu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Sr2CdSn\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": "Sr2CdSn", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Sr2CdSn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiY2Ir\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": "LiY2Ir", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiY2Ir",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HoTl\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": "HoTl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HoTl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ZrCoSi\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": "ZrCoSi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ZrCoSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: RbHO\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": "RbHO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "RbHO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: K2O\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": "K2O", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "K2O",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Na2BrCl\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": "Na2BrCl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Na2BrCl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Rb2O\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": "Rb2O", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Rb2O",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CeSnPt\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": "CeSnPt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CeSnPt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Tm2AgIr\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": "Tm2AgIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Tm2AgIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SrH2\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": "SrH2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SrH2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaAlSi\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": "CaAlSi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaAlSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Zn3Au\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": "Zn3Au", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Zn3Au",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiTm2Pt\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": "LiTm2Pt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiTm2Pt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiEuSb\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": "LiEuSb", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiEuSb",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
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