prompt listlengths 1 1 | answer stringlengths 124 136 | info dict | task stringclasses 1
value |
|---|---|---|---|
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_BaSrO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.84186000\n_cell_length_b 3.84186000\n_cell_length_c 5.42... | {"composition": "BaSrO2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 2.2833, "formation_energy": -2.4472949505} | {
"composition": "BaSrO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_CaMgGe\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.46099000\n_cell_length_b 7.53602000\n_cell_length_c 8.41... | {"composition": "CaMgGe", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.3966591358} | {
"composition": "CaMgGe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_LiFeO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.96946000\n_cell_length_b 5.97667200\n_cell_length_c 5.96... | {"composition": "LiFeO2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 1.6167, "formation_energy": -2.0910391808} | {
"composition": "LiFeO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_AlMo3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.97902000\n_cell_length_b 4.97902000\n_cell_length_c 4.979... | {"composition": "AlMo3", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.1394929886} | {
"composition": "AlMo3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_NbOs3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.93763000\n_cell_length_b 3.93763000\n_cell_length_c 3.937... | {"composition": "NbOs3", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.1453475952} | {
"composition": "NbOs3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_RbNaS\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.73561000\n_cell_length_b 4.73561000\n_cell_length_c 7.657... | {"composition": "RbNaS", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 2.3079, "formation_energy": -1.4146089554} | {
"composition": "RbNaS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Pm3Nd\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 7.33845000\n_cell_length_b 7.33844400\n_cell_length_c 6.020... | {"composition": "Pm3Nd", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": 0.4731020927} | {
"composition": "Pm3Nd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_NaLaO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.00360500\n_cell_length_b 6.00360400\n_cell_length_c 6.00... | {"composition": "NaLaO2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 3.9804, "formation_energy": -3.0214128494} | {
"composition": "NaLaO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_YbPaRu2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.76795600\n_cell_length_b 4.76795700\n_cell_length_c 4.7... | {"composition": "YbPaRu2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": 0.2414546013} | {
"composition": "YbPaRu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_CaAu2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.95596700\n_cell_length_b 5.95597000\n_cell_length_c 5.955... | {"composition": "CaAu2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.6617343426} | {
"composition": "CaAu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_TiNbTc2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.46096500\n_cell_length_b 4.46097000\n_cell_length_c 4.4... | {"composition": "TiNbTc2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.0121669769} | {
"composition": "TiNbTc2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Lu2MgTc\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.94813600\n_cell_length_b 4.94813100\n_cell_length_c 4.9... | {"composition": "Lu2MgTc", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": 0.6636815071} | {
"composition": "Lu2MgTc",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_ScSi2Rh\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.04364000\n_cell_length_b 6.34639000\n_cell_length_c 9.5... | {"composition": "ScSi2Rh", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -1.0615930557} | {
"composition": "ScSi2Rh",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_La3Ni\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.61733000\n_cell_length_b 7.16311000\n_cell_length_c 10.15... | {"composition": "La3Ni", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": 0.3765597343} | {
"composition": "La3Ni",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Hf2InC\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.32302000\n_cell_length_b 3.32302000\n_cell_length_c 14.9... | {"composition": "Hf2InC", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -1.259016037} | {
"composition": "Hf2InC",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_PaO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.85911500\n_cell_length_b 3.85911300\n_cell_length_c 3.8591... | {"composition": "PaO2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -4.5635256767} | {
"composition": "PaO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_LiGe\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 12.02234400\n_cell_length_b 12.02234600\n_cell_length_c 12.0... | {"composition": "LiGe", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.4271690845} | {
"composition": "LiGe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Pr2AlSi\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.14705000\n_cell_length_b 6.14705700\n_cell_length_c 4.1... | {"composition": "Pr2AlSi", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.5417375565} | {
"composition": "Pr2AlSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_CaPdPb\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.79229000\n_cell_length_b 7.36132000\n_cell_length_c 8.33... | {"composition": "CaPdPb", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.4366047382} | {
"composition": "CaPdPb",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_LiNiO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.80043300\n_cell_length_b 5.80043400\n_cell_length_c 5.87... | {"composition": "LiNiO2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -1.3798594475} | {
"composition": "LiNiO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Nb3Os\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.17960000\n_cell_length_b 5.17960000\n_cell_length_c 5.179... | {"composition": "Nb3Os", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": 0.3088130951} | {
"composition": "Nb3Os",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Ba3Na\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 7.85418200\n_cell_length_b 7.85418200\n_cell_length_c 7.854... | {"composition": "Ba3Na", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": 1.2566978931} | {
"composition": "Ba3Na",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_PbS\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.25471000\n_cell_length_b 4.25470800\n_cell_length_c 11.3701... | {"composition": "PbS", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 2.2577, "formation_energy": -0.778496027} | {
"composition": "PbS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Li3Ga\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.48403800\n_cell_length_b 4.48403700\n_cell_length_c 4.484... | {"composition": "Li3Ga", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.2582819462} | {
"composition": "Li3Ga",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_ErAl\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.58738000\n_cell_length_b 5.82207000\n_cell_length_c 11.326... | {"composition": "ErAl", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.3219966888} | {
"composition": "ErAl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Sr2Sb\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 9.61816600\n_cell_length_b 9.61816400\n_cell_length_c 9.618... | {"composition": "Sr2Sb", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.9241278172} | {
"composition": "Sr2Sb",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_EuHg3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.87878000\n_cell_length_b 6.87878200\n_cell_length_c 5.298... | {"composition": "EuHg3", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.9171917439} | {
"composition": "EuHg3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Pa3Ge\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.48687000\n_cell_length_b 4.48687000\n_cell_length_c 4.486... | {"composition": "Pa3Ge", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -1.0049271584} | {
"composition": "Pa3Ge",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_ZnRh\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03044000\n_cell_length_b 3.03044000\n_cell_length_c 3.0304... | {"composition": "ZnRh", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": 0.2817897797} | {
"composition": "ZnRh",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_GdIn2Rh\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.53306000\n_cell_length_b 5.53306200\n_cell_length_c 8.0... | {"composition": "GdIn2Rh", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -1.9764294624} | {
"composition": "GdIn2Rh",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_CaSnPt\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.66783000\n_cell_length_b 7.42234000\n_cell_length_c 7.97... | {"composition": "CaSnPt", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.8593187332} | {
"composition": "CaSnPt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Ti2CoRe\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.32233500\n_cell_length_b 4.32233500\n_cell_length_c 4.3... | {"composition": "Ti2CoRe", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.4127540588} | {
"composition": "Ti2CoRe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_MoS2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.19032000\n_cell_length_b 3.19031300\n_cell_length_c 17.439... | {"composition": "MoS2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 1.6607, "formation_energy": -0.5911974907} | {
"composition": "MoS2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_FeHO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.05306100\n_cell_length_b 5.02605900\n_cell_length_c 6.783... | {"composition": "FeHO2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 1.6201, "formation_energy": -2.1549143791} | {
"composition": "FeHO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_ErNiC2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74326000\n_cell_length_b 3.74325500\n_cell_length_c 3.53... | {"composition": "ErNiC2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.4443187714} | {
"composition": "ErNiC2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_MnCdO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.68354000\n_cell_length_b 5.68874100\n_cell_length_c 6.56... | {"composition": "MnCdO2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -1.5878782272} | {
"composition": "MnCdO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_ScNiBi\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.42357800\n_cell_length_b 4.42358200\n_cell_length_c 4.42... | {"composition": "ScNiBi", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.2344, "formation_energy": -0.9239850044} | {
"composition": "ScNiBi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_SmErMg2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.38043300\n_cell_length_b 5.38044000\n_cell_length_c 5.3... | {"composition": "SmErMg2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.1368970871} | {
"composition": "SmErMg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_YInPdAu\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.89124200\n_cell_length_b 4.89124800\n_cell_length_c 4.8... | {"composition": "YInPdAu", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -1.0416264534} | {
"composition": "YInPdAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_FeSnRh2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.44480000\n_cell_length_b 4.44480400\n_cell_length_c 4.4... | {"composition": "FeSnRh2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.3279728889} | {
"composition": "FeSnRh2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Lu2CuAu\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.87706200\n_cell_length_b 4.87706700\n_cell_length_c 4.8... | {"composition": "Lu2CuAu", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.3155865669} | {
"composition": "Lu2CuAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_ScPRu\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.56637000\n_cell_length_b 6.56636500\n_cell_length_c 3.641... | {"composition": "ScPRu", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.9385557175} | {
"composition": "ScPRu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_MgTaRu2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.43317400\n_cell_length_b 4.43317500\n_cell_length_c 4.4... | {"composition": "MgTaRu2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.2630372047} | {
"composition": "MgTaRu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_YbDyPd2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.91998200\n_cell_length_b 4.91998400\n_cell_length_c 4.9... | {"composition": "YbDyPd2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.7394733429} | {
"composition": "YbDyPd2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_LuMgPd2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.71432800\n_cell_length_b 4.71432400\n_cell_length_c 4.7... | {"composition": "LuMgPd2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -1.0212595463} | {
"composition": "LuMgPd2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_PmSbRh2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.78499900\n_cell_length_b 4.78500300\n_cell_length_c 4.7... | {"composition": "PmSbRh2", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.5761260986} | {
"composition": "PmSbRh2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_ZrCuSn\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.44165000\n_cell_length_b 6.62693000\n_cell_length_c 7.81... | {"composition": "ZrCuSn", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.2659907341} | {
"composition": "ZrCuSn",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_Ho2ZnRh\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.91308700\n_cell_length_b 4.91308700\n_cell_length_c 4.9... | {"composition": "Ho2ZnRh", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.0493278503} | {
"composition": "Ho2ZnRh",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_CaIn2Au\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.94514000\n_cell_length_b 5.94513800\n_cell_length_c 7.7... | {"composition": "CaIn2Au", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.375535965} | {
"composition": "CaIn2Au",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
[
{
"content": "You are given a crystal structure in CIF format that has been expanded to P1.\nPredict the formation energy per atom in eV/atom.\n\nCIF:\n# generated using pymatgen\ndata_SmPbAu\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.88993000\n_cell_length_b 4.88992400\n_cell_length_c 7.50... | {"composition": "SmPbAu", "spacegroup_symbol": null, "spacegroup_number": null, "band_gap": 0.0, "formation_energy": -0.7993173599} | {
"composition": "SmPbAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | formation-energy-prediction |
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