raw/materials_project/materials_project-part-131.jsonl

{"cif": "# generated using pymatgen\ndata_V2N\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.88721855\n_cell_length_b   4.88721961\n_cell_length_c   4.52632296\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999289\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   V2N\n_chemical_formula_sum   'V6 N3'\n_cell_volume   93.62672158\n_cell_formula_units_Z   3\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.66220112  -0.00000000  0.75541129  1.0\n  V  V1  1  0.66220112  0.66220112  0.24458871  1.0\n  V  V2  1  0.00000000  0.33779888  0.24458871  1.0\n  V  V3  1  -0.00000000  0.66220112  0.75541129  1.0\n  V  V4  1  0.33779888  0.33779888  0.75541129  1.0\n  V  V5  1  0.33779888  -0.00000000  0.24458871  1.0\n  N  N6  1  -0.00000000  -0.00000000  0.00000000  1.0\n  N  N7  1  0.33333300  0.66666700  0.50000000  1.0\n  N  N8  1  0.66666700  0.33333300  0.50000000  1.0\n", "composition": {"N": 3.0, "V": 6.0}, "description": "", "elements": ["N", "V"], "formula": "V2N", "identifiers": {"materials_project_id": "mp-33090"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.166168310460319, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.0829682173611117, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 93.62672157795123}, "record_id": "mp-33090", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.88721855, "alpha": 90.0, "b": 4.887219610656166, "beta": 90.0, "c": 4.52632296, "gamma": 119.99999288850763, "matrix": [[4.88721855, 0.0, 0.0], [-2.44360928, 4.23245664, -0.0], [0.0, -0.0, 4.52632296]], "pbc": [true, true, true], "volume": 93.62672157795123}, "properties": {}, "sites": [{"abc": [0.66220112, -0.0, 0.75541129], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.236321597494776, 0.0, 3.419235466170218]}, {"abc": [0.66220112, 0.66220112, 0.24458871], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [1.6181607954363826, 2.8027375273594366, 1.1070874938297814]}, {"abc": [0.0, 0.33779888, 0.24458871], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [-0.8254484779416065, 1.4297191126405633, 1.1070874938297814]}, {"abc": [-0.0, 0.66220112, 0.75541129], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [-1.6181608020583935, 2.8027375273594366, 3.419235466170218]}, {"abc": [0.33779888, 0.33779888, 0.75541129], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.8254484745636177, 1.4297191126405633, 3.419235466170218]}, {"abc": [0.33779888, -0.0, 0.24458871], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [1.6508969525052242, 0.0, 1.1070874938297814]}, {"abc": [-0.0, -0.0, 0.0], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.333333, 0.666667, 0.5], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-2.44694260986833e-06, 2.8216391708188797, 2.26316148]}, {"abc": [0.666667, 0.333333, 0.5], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.44361171694261, 1.41081746918112, 2.26316148]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-P 3 2", "number": 162, "point_group": "-3m", "symbol": "P-31m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_V2N3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.81801785\n_cell_length_b   2.81801785\n_cell_length_c   6.25706500\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999642\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   V2N3\n_chemical_formula_sum   'V2 N3'\n_cell_volume   43.03172863\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.66666700  0.33333300  0.30162900  1.0\n  V  V1  1  0.33333300  0.66666700  0.69837100  1.0\n  N  N2  1  0.00000000  0.00000000  0.50000000  1.0\n  N  N3  1  0.00000000  0.00000000  0.10694100  1.0\n  N  N4  1  0.00000000  0.00000000  0.89305900  1.0\n", "composition": {"N": 3.0, "V": 2.0}, "description": "", "elements": ["N", "V"], "formula": "V2N3", "identifiers": {"materials_project_id": "mp-1069841"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.55303556886947, "energy_above_hull": 0.09601281100000136, "formation_energy_per_atom": -0.9860095244999997, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.002881, "volume": 43.03172863294846}, "record_id": "mp-1069841", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.8180178473008297, "alpha": 90.0, "b": 2.8180178473008297, "beta": 90.0, "c": 6.257065, "gamma": 119.99999641503481, "matrix": [[1.409009, -2.440475, 0.0], [1.409009, 2.440475, 0.0], [0.0, 0.0, 6.257065]], "pbc": [true, true, true], "volume": 43.03172863294846}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.301629], "label": "V", "properties": {"magmom": 0.001}, "species": [{"element": "V", "occu": 1.0}], "xyz": [1.409009, -0.8134932936500001, 1.8873122588849998]}, {"abc": [0.333333, 0.666667, 0.698371], "label": "V", "properties": {"magmom": 0.001}, "species": [{"element": "V", "occu": 1.0}], "xyz": [1.409009, 0.8134932936500001, 4.369752741115]}, {"abc": [0.0, 0.0, 0.5], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 3.1285325]}, {"abc": [0.0, 0.0, 0.106941], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 0.669136788165]}, {"abc": [0.0, 0.0, 0.893059], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 5.587928211835]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-P 3 2\"", "number": 164, "point_group": "-3m", "symbol": "P-3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_V32N3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.96603317\n_cell_length_b   8.63148998\n_cell_length_c   17.27307960\n_cell_angle_alpha   90.79527235\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   V32N3\n_chemical_formula_sum   'V32 N3'\n_cell_volume   442.17044665\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.50000000  0.88861065  0.05675863  1.0\n  V  V1  1  0.50000000  0.88371878  0.55751218  1.0\n  V  V2  1  0.50000000  0.11628122  0.44248782  1.0\n  V  V3  1  0.50000000  0.11138935  0.94324137  1.0\n  V  V4  1  0.00000000  0.62173105  0.31031235  1.0\n  V  V5  1  0.00000000  0.60867108  0.80439581  1.0\n  V  V6  1  -0.00000000  0.39132892  0.19560419  1.0\n  V  V7  1  -0.00000000  0.37826895  0.68968765  1.0\n  V  V8  1  0.50000000  0.38692357  0.06425640  1.0\n  V  V9  1  0.50000000  0.37278983  0.56079923  1.0\n  V  V10  1  0.50000000  0.62721017  0.43920077  1.0\n  V  V11  1  0.50000000  0.61307643  0.93574360  1.0\n  V  V12  1  0.00000000  0.11569997  0.31678437  1.0\n  V  V13  1  0.00000000  0.11002939  0.81179813  1.0\n  V  V14  1  -0.00000000  0.88997061  0.18820187  1.0\n  V  V15  1  0.00000000  0.88430003  0.68321563  1.0\n  V  V16  1  0.50000000  0.12909202  0.19402130  1.0\n  V  V17  1  0.50000000  0.12036319  0.68591613  1.0\n  V  V18  1  0.50000000  0.87963681  0.31408387  1.0\n  V  V19  1  0.50000000  0.87090798  0.80597870  1.0\n  V  V20  1  -0.00000000  0.62830824  0.05801858  1.0\n  V  V21  1  -0.00000000  0.62912781  0.55503548  1.0\n  V  V22  1  0.00000000  0.37087219  0.44496452  1.0\n  V  V23  1  -0.00000000  0.37169176  0.94198142  1.0\n  V  V24  1  0.50000000  0.35115707  0.33033575  1.0\n  V  V25  1  0.50000000  0.33686677  0.82594851  1.0\n  V  V26  1  0.50000000  0.66313323  0.17405149  1.0\n  V  V27  1  0.50000000  0.64884293  0.66966425  1.0\n  V  V28  1  0.00000000  0.15955497  0.07946336  1.0\n  V  V29  1  0.00000000  0.12813496  0.56452175  1.0\n  V  V30  1  -0.00000000  0.87186504  0.43547825  1.0\n  V  V31  1  -0.00000000  0.84044503  0.92053664  1.0\n  N  N32  1  0.50000000  0.50702972  0.25221538  1.0\n  N  N33  1  0.50000000  0.49297028  0.74778462  1.0\n  N  N34  1  0.00000000  0.00000000  -0.00000000  1.0\n", "composition": {"N": 3.0, "V": 32.0}, "description": "", "elements": ["N", "V"], "formula": "V32N3", "identifiers": {"materials_project_id": "mp-1216851"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.279631011328364, "energy_above_hull": 0.007782994285715716, "formation_energy_per_atom": -0.28319721932142883, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 9.9e-06, "volume": 442.1704466490592}, "record_id": "mp-1216851", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.96603317, "alpha": 90.79527235395403, "b": 8.631489980012221, "beta": 90.0, "c": 17.273079601625877, "gamma": 90.0, "matrix": [[0.0, 0.0, 2.96603317], [8.63128212, -0.05990192, 0.0], [-0.11987658, 17.27266362, 0.0]], "pbc": [true, true, true], "volume": 442.1704466490592}, "properties": {}, "sites": [{"abc": [0.5, 0.88861065, 0.05675863], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.663045184536692, 0.9271432394545925, 1.483016585]}, {"abc": [0.5, 0.88371878, 0.55751218], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.560793451475469, 9.576783897530834, 1.483016585]}, {"abc": [0.5, 0.11628122, 0.44248782], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.9506120885245308, 7.635977802469165, 1.483016585]}, {"abc": [0.5, 0.11138935, 0.94324137], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.8483603554633073, 16.285618460545408, 1.483016585]}, {"abc": [0.0, 0.62173105, 0.31031235], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.329136912064063, 5.322677955063091, 0.0]}, {"abc": [0.0, 0.60867108, 0.80439581], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.1571835910959605, 13.85759767712696, 0.0]}, {"abc": [-0.0, 0.39132892, 0.19560419], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.35422194890404, 3.3551640228730415, 0.0]}, {"abc": [-0.0, 0.37826895, 0.68968765], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.1822686279359367, 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"properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.420434505830472, 13.869229909839573, 1.483016585]}, {"abc": [-0.0, 0.62830824, 0.05801858], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.416150608813812, 0.9644985461222387, 0.0]}, {"abc": [-0.0, 0.62912781, 0.55503548], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.363643862526699, 9.549255179460841, 0.0]}, {"abc": [0.0, 0.37087219, 0.44496452], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.147761677473301, 7.6635065205391575, 0.0]}, {"abc": [-0.0, 0.37169176, 0.94198142], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.0952549311861874, 16.24826315387776, 0.0]}, {"abc": [0.5, 0.35115707, 0.33033575], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [2.9913362196408535, 5.68474330869584, 1.483016585]}, {"abc": [0.5, 0.33686677, 0.82594851], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [2.8085802460882565, 14.246151814363007, 1.483016585]}, {"abc": [0.5, 0.66313323, 0.17405149], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.702825293911744, 2.9666098856369922, 1.483016585]}, {"abc": [0.5, 0.64884293, 0.66966425], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.520069320359147, 11.528018391304158, 1.483016585]}, {"abc": [0.0, 0.15955497, 0.07946336], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [1.3676381638860273, 1.3629862383464206, 0.0]}, {"abc": [0.0, 0.12813496, 0.56452175], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [1.0382960524693001, 9.743118763800613, 0.0]}, {"abc": [-0.0, 0.87186504, 0.43547825], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.473109487530699, 7.469642936199389, 0.0]}, {"abc": [-0.0, 0.84044503, 0.92053664], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.143767376113972, 15.849775461653579, 0.0]}, {"abc": [0.5, 0.50702972, 0.25221538], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [4.346081839366805, 4.326059364805412, 1.483016585]}, {"abc": [0.5, 0.49297028, 0.74778462], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [4.165323700633194, 12.886702335194586, 1.483016585]}, {"abc": [0.0, 0.0, -0.0], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-P 2y", "number": 10, "point_group": "2/m", "symbol": "P2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_V3N4\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.84090532\n_cell_length_b   7.84090532\n_cell_length_c   2.84938600\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999427\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   V3N4\n_chemical_formula_sum   'V6 N8'\n_cell_volume   151.71005382\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.53198900  0.66961200  0.75000000  1.0\n  V  V1  1  0.13762300  0.46801100  0.75000000  1.0\n  V  V2  1  0.33038800  0.86237700  0.75000000  1.0\n  V  V3  1  0.46801100  0.33038800  0.25000000  1.0\n  V  V4  1  0.86237700  0.53198900  0.25000000  1.0\n  V  V5  1  0.66961200  0.13762300  0.25000000  1.0\n  N  N6  1  0.63038600  0.95121000  0.75000000  1.0\n  N  N7  1  0.32082400  0.36961400  0.75000000  1.0\n  N  N8  1  0.04879000  0.67917600  0.75000000  1.0\n  N  N9  1  0.36961400  0.04879000  0.25000000  1.0\n  N  N10  1  0.67917600  0.63038600  0.25000000  1.0\n  N  N11  1  0.95121000  0.32082400  0.25000000  1.0\n  N  N12  1  0.66666700  0.33333300  0.75000000  1.0\n  N  N13  1  0.33333300  0.66666700  0.25000000  1.0\n", "composition": {"N": 8.0, "V": 6.0}, "description": "", "elements": ["N", "V"], "formula": "V3N4", "identifiers": {"materials_project_id": "mp-1080199"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.571954653157354, "energy_above_hull": 0.1767559114285735, "formation_energy_per_atom": -0.9825537337499972, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 1.3458154, "volume": 151.71005381920415}, "record_id": "mp-1080199", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.840905320442149, "alpha": 90.0, "b": 7.840905320442149, "beta": 90.0, "c": 2.849386, "gamma": 119.99999426607206, "matrix": [[3.920453, -6.790423, 0.0], [3.920453, 6.790423, 0.0], [0.0, 0.0, 2.849386]], "pbc": [true, true, true], "volume": 151.71005381920415}, "properties": {}, "sites": [{"abc": [0.531989, 0.669612, 0.75], "label": "V", "properties": {"magmom": 0.212}, "species": [{"element": "V", "occu": 1.0}], "xyz": [4.710820245253, 0.9345183845289995, 2.1370395]}, {"abc": [0.137623, 0.468011, 0.75], "label": "V", "properties": {"magmom": 0.217}, "species": [{"element": "V", "occu": 1.0}], "xyz": [2.374359632202, 2.243474274124, 2.1370395]}, {"abc": [0.330388, 0.862377, 0.75], "label": "V", "properties": {"magmom": 0.211}, "species": [{"element": "V", "occu": 1.0}], "xyz": [4.676179122545, 3.6124303413469994, 2.1370395]}, {"abc": [0.468011, 0.330388, 0.25], "label": "V", "properties": {"magmom": 0.215}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.1300857547470002, -0.9345183845289999, 0.7123465]}, {"abc": [0.862377, 0.531989, 0.25], "label": "V", "properties": {"magmom": 0.217}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.466546367798001, -2.243474274123999, 0.7123465]}, {"abc": [0.669612, 0.137623, 0.25], "label": "V", "properties": {"magmom": 0.208}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.164726877455, -3.612430341347, 0.7123465]}, {"abc": [0.630386, 0.95121, 0.75], "label": "N", "properties": {"magmom": -0.008}, "species": [{"element": "N", "occu": 1.0}], "xyz": [6.200572782988001, 2.178530668552, 2.1370395]}, {"abc": [0.320824, 0.369614, 0.75], "label": "N", "properties": {"magmom": -0.008}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.706829728414, 0.33130473817000006, 2.1370395]}, {"abc": [0.04879, 0.679176, 0.75], "label": "N", "properties": {"magmom": -0.008}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.853956488598, 4.280587593278, 2.1370395]}, {"abc": [0.369614, 0.04879, 0.25], "label": "N", "properties": {"magmom": -0.009}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.6403332170120002, -2.178530668552, 0.7123465]}, {"abc": [0.679176, 0.630386, 0.25], "label": "N", "properties": {"magmom": -0.008}, "species": [{"element": "N", "occu": 1.0}], "xyz": [5.134076271586, -0.33130473817000006, 0.7123465]}, {"abc": [0.95121, 0.320824, 0.25], "label": "N", "properties": {"magmom": -0.008}, "species": [{"element": "N", "occu": 1.0}], "xyz": [4.986949511402, -4.280587593278, 0.7123465]}, {"abc": [0.666667, 0.333333, 0.75], "label": "N", "properties": {"magmom": -0.016}, "species": [{"element": "N", "occu": 1.0}], "xyz": [3.920453, -2.2634788602820004, 2.1370395]}, {"abc": [0.333333, 0.666667, 0.25], "label": "N", "properties": {"magmom": -0.016}, "species": [{"element": "N", "occu": 1.0}], "xyz": [3.920453, 2.2634788602820004, 0.7123465]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6c", "number": 176, "point_group": "6/m", "symbol": "P6_3/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_V4N3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.94676043\n_cell_length_b   4.94676043\n_cell_length_c   4.94676043\n_cell_angle_alpha   131.19037565\n_cell_angle_beta   131.19037565\n_cell_angle_gamma   71.51078613\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   V4N3\n_chemical_formula_sum   'V4 N3'\n_cell_volume   67.08135331\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.00000000  0.50000000  0.50000000  1.0\n  V  V1  1  0.25231200  0.25231200  0.00000000  1.0\n  V  V2  1  0.50000000  0.00000000  0.50000000  1.0\n  V  V3  1  0.74768800  0.74768800  0.00000000  1.0\n  N  N4  1  0.75000000  0.25000000  0.50000000  1.0\n  N  N5  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N6  1  0.25000000  0.75000000  0.50000000  1.0\n", "composition": {"N": 3.0, "V": 4.0}, "description": "", "elements": ["N", "V"], "formula": "V4N3", "identifiers": {"materials_project_id": "mp-1216464"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.084215680260118, "energy_above_hull": 0.09409959476190544, "formation_energy_per_atom": -1.1429027380357135, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0267336, "volume": 67.08135330765079}, "record_id": "mp-1216464", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.946760426925686, "alpha": 131.1903756542189, "b": 4.946760426925686, "beta": 131.19037565421894, "c": 4.946760426925686, "gamma": 71.51078612878285, "matrix": [[-2.043907, 2.043907, 4.01439], [2.043907, -2.043907, 4.01439], [2.043907, 2.043907, -4.01439]], "pbc": [true, true, true], "volume": 67.08135330765079}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.5], "label": "V", "properties": {"magmom": -0.004}, "species": [{"element": "V", "occu": 1.0}], "xyz": [2.043907, 0.0, 0.0]}, {"abc": [0.252312, 0.252312, 0.0], "label": "V", "properties": {"magmom": 0.015}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.0, 0.0, 2.02575753936]}, {"abc": [0.5, 0.0, 0.5], "label": "V", "properties": {"magmom": -0.004}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.0, 2.043907, 0.0]}, {"abc": [0.747688, 0.747688, 0.0], "label": "V", "properties": {"magmom": 0.015}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.0, 0.0, 6.00302246064]}, {"abc": [0.75, 0.25, 0.5], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 2.043907, 2.007195]}, {"abc": [0.0, 0.0, 0.0], "label": "N", "properties": {"magmom": 0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.25, 0.75, 0.5], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.043907, 0.0, 2.007195]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-I 4 2", "number": 139, "point_group": "4/mmm", "symbol": "I4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_V4N3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   9.31928849\n_cell_length_b   9.31928849\n_cell_length_c   9.31928808\n_cell_angle_alpha   18.09412808\n_cell_angle_beta   18.09412808\n_cell_angle_gamma   18.09412506\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   V4N3\n_chemical_formula_sum   'V4 N3'\n_cell_volume   68.17369891\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.37865500  0.37865500  0.37865500  1.0\n  V  V1  1  0.62134500  0.62134500  0.62134500  1.0\n  V  V2  1  0.87624700  0.87624700  0.87624700  1.0\n  V  V3  1  0.12375300  0.12375300  0.12375300  1.0\n  N  N4  1  0.75477500  0.75477500  0.75477500  1.0\n  N  N5  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N6  1  0.24522500  0.24522500  0.24522500  1.0\n", "composition": {"N": 3.0, "V": 4.0}, "description": "", "elements": ["N", "V"], "formula": "V4N3", "identifiers": {"materials_project_id": "mp-1216472"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.986728433390856, "energy_above_hull": 0.16243095761904947, "formation_energy_per_atom": -1.0745713751785704, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0104816, "volume": 68.1736989055825}, "record_id": "mp-1216472", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 9.319288489505409, "alpha": 18.09412807743702, "b": 9.319288489505409, "beta": 18.09412807743702, "c": 9.31928808332938, "gamma": 18.094125055275317, "matrix": [[9.203352, -1.465418, 0.0], [9.203352, 1.465418, 0.0], [8.970018, 0.0, 2.527431]], "pbc": [true, true, true], "volume": 68.1736989055825}, "properties": {}, "sites": [{"abc": [0.378655, 0.378655, 0.378655], "label": "V", "properties": {"magmom": 0.015}, "species": [{"element": "V", "occu": 1.0}], "xyz": [10.366332668910001, 0.0, 0.957024385305]}, {"abc": [0.621345, 0.621345, 0.621345], "label": "V", "properties": {"magmom": 0.015}, "species": [{"element": "V", "occu": 1.0}], "xyz": [17.01038933109, 0.0, 1.570406614695]}, {"abc": [0.876247, 0.876247, 0.876247], "label": "V", "properties": {"magmom": -0.007}, "species": [{"element": "V", "occu": 1.0}], "xyz": [23.988770522334, 0.0, 2.214653831457]}, {"abc": [0.123753, 0.123753, 0.123753], "label": "V", "properties": {"magmom": -0.007}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.3879514776660002, 0.0, 0.31277716854300003]}, {"abc": [0.754775, 0.754775, 0.754775], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [20.663265347550002, 0.0, 1.907641733025]}, {"abc": [0.0, 0.0, 0.0], "label": "N", "properties": {"magmom": -0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.245225, 0.245225, 0.245225], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [6.713456652450001, 0.0, 0.619789266975]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-R 3 2\"", "number": 166, "point_group": "-3m", "symbol": "R-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_V8N\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.96541950\n_cell_length_b   8.68458881\n_cell_length_c   8.68459851\n_cell_angle_alpha   90.00170345\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   V8N\n_chemical_formula_sum   'V16 N2'\n_cell_volume   223.65836482\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.50000000  0.34269451  0.65731509  1.0\n  V  V1  1  0.50000000  0.65729731  0.34262394  1.0\n  V  V2  1  -0.00000000  0.15731493  0.15731495  1.0\n  V  V3  1  -0.00000000  0.84264903  0.84273818  1.0\n  V  V4  1  0.50000000  0.88728357  0.11264300  1.0\n  V  V5  1  0.50000000  0.11265416  0.88734244  1.0\n  V  V6  1  -0.00000000  0.61265923  0.61270850  1.0\n  V  V7  1  -0.00000000  0.38732779  0.38730783  1.0\n  V  V8  1  0.50000000  0.38506685  0.12674365  1.0\n  V  V9  1  0.50000000  0.61500684  0.87330899  1.0\n  V  V10  1  -0.00000000  0.11500018  0.62673576  1.0\n  V  V11  1  -0.00000000  0.88500804  0.37321874  1.0\n  V  V12  1  0.50000000  0.12675960  0.38500429  1.0\n  V  V13  1  0.50000000  0.87325058  0.61501365  1.0\n  V  V14  1  -0.00000000  0.62675144  0.11495381  1.0\n  V  V15  1  -0.00000000  0.37330992  0.88503051  1.0\n  N  N16  1  0.50000000  0.49998896  0.49999369  1.0\n  N  N17  1  -0.00000000  -0.00002294  0.00000399  1.0\n", "composition": {"N": 2.0, "V": 16.0}, "description": "", "elements": ["N", "V"], "formula": "V8N", "identifiers": {"materials_project_id": "mp-1188283"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.259381185868224, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.37719657319444383, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 3e-07, "volume": 223.6583648211398}, "record_id": "mp-1188283", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.9654195, "alpha": 90.00170344990771, "b": 8.684588810959413, "beta": 90.0, "c": 8.68459851095971, "gamma": 90.0, "matrix": [[0.0, 0.0, 2.9654195], [8.68458881, -0.00012909, 0.0], [-0.00012911, 8.68459851, 0.0]], "pbc": [true, true, true], "volume": 223.65836482113983}, "properties": {}, "sites": [{"abc": [0.5, 0.34269451, 0.65731509], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [2.976076040843163, 5.70847341278022, 1.48270975]}, {"abc": [0.5, 0.65729731, 0.34262394], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.708312627092208, 2.975466508304582, 1.48270975]}, {"abc": [-0.0, 0.15731493, 0.15731495], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [1.3661951697907386, 1.3661968725864109, 0.0]}, {"abc": [-0.0, 0.84264903, 0.84273818], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.3179515307689345, 7.31873396478483, 0.0]}, {"abc": [0.5, 0.88728357, 0.112643], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.705678419981122, 0.9781446905258787, 1.48270975]}, {"abc": [0.5, 0.11265416, 0.88734244], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.9782404925535211, 7.70619828975825, 1.48270975]}, {"abc": [-0.0, 0.61265923, 0.6127085], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.320614386406781, 5.321048237984335, 0.0]}, {"abc": [-0.0, 0.38732779, 0.38730783], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.363732585522098, 3.3635630031849226, 0.0]}, {"abc": [0.5, 0.38506685, 0.12674365], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.344130892739297, 1.1006680056622953, 1.48270975]}, {"abc": [0.5, 0.61500684, 0.87330899], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.340968767813761, 7.58425856209063, 1.48270975]}, {"abc": [-0.0, 0.11500018, 0.62673576], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.9986483585220121, 5.442933602086481, 0.0]}, {"abc": [-0.0, 0.88500804, 0.37321874], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.685882734672511, 3.241140667620194, 0.0]}, {"abc": [0.5, 0.1267596, 0.38500429], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [1.100805295816194, 3.3435913198808445, 1.48270975]}, {"abc": [0.5, 0.87325058, 0.61501365], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [7.583742810981658, 5.341033900502289, 1.48270975]}, {"abc": [-0.0, 0.62675144, 0.11495381], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [5.4430637007889775, 0.9982467797014336, 0.0]}, {"abc": [-0.0, 0.37330992, 0.88503051], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [3.241928887604849, 7.6860864578729675, 0.0]}, {"abc": [0.5, 0.49998896, 0.49999369], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [4.342133972954222, 4.3421799116085555, 1.48270975]}, {"abc": [-0.0, -2.294e-05, 3.99e-06], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-0.00019922498245029998, 3.46545093795e-05, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4n 2n", "number": 136, "point_group": "4/mmm", "symbol": "P4_2/mnm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_VN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.91676597\n_cell_length_b   2.91676597\n_cell_length_c   2.91676597\n_cell_angle_alpha   60.00000000\n_cell_angle_beta   60.00000000\n_cell_angle_gamma   60.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   VN\n_chemical_formula_sum   'V1 N1'\n_cell_volume   17.54646998\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"N": 1.0, "V": 1.0}, "description": "", "elements": ["N", "V"], "formula": "VN", "identifiers": {"materials_project_id": "mp-925"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.146479816336307, "energy_above_hull": 0.1901050299999998, "formation_energy_per_atom": -1.1624228893749997, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0058653, "volume": 17.546469976096787}, "record_id": "mp-925", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.9167659749198256, "alpha": 59.99999999999999, "b": 2.9167659749198256, "beta": 59.99999999999999, "c": 2.9167659749198256, "gamma": 59.99999999999999, "matrix": [[0.0, 2.062465, 2.062465], [2.062465, 0.0, 2.062465], [2.062465, 2.062465, 0.0]], "pbc": [true, true, true], "volume": 17.546469976096787}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": 0.005}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.062465, 2.062465, 2.062465]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "m-3m", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_VN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.13893610\n_cell_length_b   3.13893610\n_cell_length_c   3.13893610\n_cell_angle_alpha   60.00000000\n_cell_angle_beta   60.00000000\n_cell_angle_gamma   60.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   VN\n_chemical_formula_sum   'V1 N1'\n_cell_volume   21.86917628\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N1  1  0.25000000  0.25000000  0.25000000  1.0\n", "composition": {"N": 1.0, "V": 1.0}, "description": "", "elements": ["N", "V"], "formula": "VN", "identifiers": {"materials_project_id": "mp-1001826"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.931553990941758, "energy_above_hull": 0.32525225500000055, "formation_energy_per_atom": -1.027275664374999, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 0.6246305, "volume": 21.869176278740174}, "record_id": "mp-1001826", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.138936097141514, "alpha": 59.99999999999999, "b": 3.138936097141514, "beta": 59.99999999999999, "c": 3.138936097141514, "gamma": 59.99999999999999, "matrix": [[0.0, 2.219563, 2.219563], [2.219563, 0.0, 2.219563], [2.219563, 2.219563, 0.0]], "pbc": [true, true, true], "volume": 21.869176278740174}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": 0.631}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.25, 0.25, 0.25], "label": "N", "properties": {"magmom": -0.046}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.1097815, 1.1097815, 1.1097815]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F -4 2 3", "number": 216, "point_group": "-43m", "symbol": "F-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_VN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.54810400\n_cell_length_b   2.54810400\n_cell_length_c   2.54810400\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   VN\n_chemical_formula_sum   'V1 N1'\n_cell_volume   16.54441627\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"N": 1.0, "V": 1.0}, "description": "", "elements": ["N", "V"], "formula": "VN", "identifiers": {"materials_project_id": "mp-1002105"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.51875664713559, "energy_above_hull": 0.6783686049999993, "formation_energy_per_atom": -0.6741593143750002, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0009684, "volume": 16.544416273526625}, "record_id": "mp-1002105", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.548104, "alpha": 90.0, "b": 2.548104, "beta": 90.0, "c": 2.548104, "gamma": 90.0, "matrix": [[2.548104, 0.0, 0.0], [0.0, 2.548104, 0.0], [0.0, 0.0, 2.548104]], "pbc": [true, true, true], "volume": 16.544416273526625}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": -0.0}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.274052, 1.274052, 1.274052]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 4 2 3", "number": 221, "point_group": "m-3m", "symbol": "Pm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_VN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.75433022\n_cell_length_b   2.75433022\n_cell_length_c   5.30968200\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000519\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   VN\n_chemical_formula_sum   'V2 N2'\n_cell_volume   34.88439005\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.00000000  0.00000000  0.50000000  1.0\n  V  V1  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N2  1  0.33333300  0.66666700  0.25000000  1.0\n  N  N3  1  0.66666700  0.33333300  0.75000000  1.0\n", "composition": {"N": 2.0, "V": 2.0}, "description": "", "elements": ["N", "V"], "formula": "VN", "identifiers": {"materials_project_id": "mp-1017532"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.183225414750384, "energy_above_hull": 0.10796184249999996, "formation_energy_per_atom": -1.2445660768749995, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 6.8e-06, "volume": 34.88439004625348}, "record_id": "mp-1017532", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.7543302161551, "alpha": 90.0, "b": 2.7543302161551, "beta": 90.0, "c": 5.309682, "gamma": 120.00000519208122, "matrix": [[1.377165, -2.38532, 0.0], [1.377165, 2.38532, 0.0], [0.0, 0.0, 5.309682]], "pbc": [true, true, true], "volume": 34.88439004625348}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.5], "label": "V", "properties": {"magmom": -0.0}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.0, 0.0, 2.654841]}, {"abc": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": -0.0}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.333333, 0.666667, 0.25], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.377165, 0.79510825688, 1.3274205]}, {"abc": [0.666667, 0.333333, 0.75], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.377165, -0.79510825688, 3.9822615]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6c 2c", "number": 194, "point_group": "6/mmm", "symbol": "P6_3/mmc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_VN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.73389766\n_cell_length_b   2.73389467\n_cell_length_c   2.64135023\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00004850\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   VN\n_chemical_formula_sum   'V1 N1'\n_cell_volume   17.09702086\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.00001834  0.00003768  -0.00000000  1.0\n  N  N1  1  0.66668166  0.33336232  0.50000000  1.0\n", "composition": {"N": 1.0, "V": 1.0}, "description": "", "elements": ["N", "V"], "formula": "VN", "identifiers": {"materials_project_id": "mp-1018027"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.308059422952523, "energy_above_hull": 0.0, "formation_energy_per_atom": -1.3525279193749995, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 17.097020862487465}, "record_id": "mp-1018027", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.73389766, "alpha": 90.0, "b": 2.733894671816528, "beta": 90.0, "c": 2.64135023, "gamma": 120.00004849845745, "matrix": [[2.73389766, -0.0, 0.0], [-1.36694934, 2.36762108, 0.0], [0.0, 0.0, 2.64135023]], "pbc": [true, true, true], "volume": 17.097020862487465}, "properties": {}, "sites": [{"abc": [1.834e-05, 3.768e-05, -0.0], "label": "V", "properties": {}, "species": [{"element": "V", "occu": 1.0}], "xyz": [-1.3669680467999948e-06, 8.92119622944e-05, 0.0]}, {"abc": [0.66668166, 0.33336232, 0.5], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.3669500269340467, 0.7892756561097056, 1.320675115]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P -6 2", "number": 187, "point_group": "-6m2", "symbol": "P-6m2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_VN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.88520500\n_cell_length_b   2.93903600\n_cell_length_c   4.13732511\n_cell_angle_alpha   88.50617225\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   VN\n_chemical_formula_sum   'V2 N2'\n_cell_volume   35.07144070\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.25000000  0.70577300  0.77206200  1.0\n  V  V1  1  0.75000000  0.29422700  0.22793800  1.0\n  N  N2  1  0.25000000  0.77819900  0.26381200  1.0\n  N  N3  1  0.75000000  0.22180100  0.73618800  1.0\n", "composition": {"N": 2.0, "V": 2.0}, "description": "", "elements": ["N", "V"], "formula": "VN", "identifiers": {"materials_project_id": "mp-1048410"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.150247689374634, "energy_above_hull": 0.18301387250000012, "formation_energy_per_atom": -1.1695140468749994, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 5.26e-05, "volume": 35.07144069737333}, "record_id": "mp-1048410", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.885205, "alpha": 88.50617224907941, "b": 2.939036, "beta": 90.0, "c": 4.137325114975859, "gamma": 90.0, "matrix": [[2.885205, 0.0, 0.0], [0.0, 2.939036, 0.0], [0.0, 0.107857, 4.135919]], "pbc": [true, true, true], "volume": 35.07144069737333}, "properties": {}, "sites": [{"abc": [0.25, 0.705773, 0.772062], "label": "V", "properties": {"magmom": -0.0}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.72130125, 2.1575645459620003, 3.1931858949780003]}, {"abc": [0.75, 0.294227, 0.227938], "label": "V", "properties": {"magmom": -0.0}, "species": [{"element": "V", "occu": 1.0}], "xyz": [2.1639037500000002, 0.8893284540380001, 0.9427331050220001]}, {"abc": [0.25, 0.778199, 0.263812], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.72130125, 2.3156088470480003, 1.0911050632280002]}, {"abc": [0.75, 0.221801, 0.736188], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.1639037500000002, 0.731284152952, 3.044813936772]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-P 2yb", "number": 11, "point_group": "2/m", "symbol": "P2_1/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_VN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.87757030\n_cell_length_b   2.87757149\n_cell_length_c   4.24465956\n_cell_angle_alpha   89.98781133\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   VN\n_chemical_formula_sum   'V2 N2'\n_cell_volume   35.14753875\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  V  V0  1  0.25000000  0.74974652  0.78191412  1.0\n  V  V1  1  0.75000000  0.25025348  0.21808588  1.0\n  N  N2  1  0.25000000  0.75021001  0.26617628  1.0\n  N  N3  1  0.75000000  0.24978999  0.73382372  1.0\n", "composition": {"N": 2.0, "V": 2.0}, "description": "", "elements": ["N", "V"], "formula": "VN", "identifiers": {"materials_project_id": "mp-2394167"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.136931767376047, "energy_above_hull": 0.17530909499999936, "formation_energy_per_atom": -1.1772188243750001, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0, "volume": 35.14753875197236}, "record_id": "mp-2394167", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.8775703, "alpha": 89.98781132597514, "b": 2.877571491675317, "beta": 90.0, "c": 4.24465955944203, "gamma": 90.0, "matrix": [[2.8775703, 0.0, 0.0], [0.0, 2.87734442, -0.03614939], [0.0, 0.05422629, 4.24431317]], "pbc": [true, true, true], "volume": 35.147538751972355}, "properties": {}, "sites": [{"abc": [0.25, 0.74974652, 0.78191412], "label": "V", "properties": {"magmom": 0.0}, "species": [{"element": "V", "occu": 1.0}], "xyz": [0.719392575, 2.199679267562633, 3.2915855179723374]}, {"abc": [0.75, 0.25025348, 0.21808588], "label": "V", "properties": {"magmom": 0.0}, "species": [{"element": "V", "occu": 1.0}], "xyz": [2.158177725, 0.7318914424373667, 0.9165782620276625]}, {"abc": [0.25, 0.75021001, 0.26617628], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.719392575, 2.1730463382520453, 1.1026158565122135]}, {"abc": [0.75, 0.24978999, 0.73382372], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.158177725, 0.7585243717479546, 3.105547923487786]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "P 4ab 2ab -1ab", "number": 129, "point_group": "4/mmm", "symbol": "P4/nmm", "symprec": 0.1, "version": "2.7.0"}}}