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Cr2NiO4.json
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Cr2NiO4.json
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{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[5.8102, 0.0, 3.557721416202976e-16], [-3.557721416202976e-16, 5.8102, 3.557721416202976e-16], [0.0, 0.0, 8.4806]], "a": 5.8102, "b": 5.8102, "c": 8.4806, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 286.29169091362405}, "sites": [{"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Cr", "properties": {"magmom": -1.400071426749364}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.5, 0.5, 0.5], "xyz": [2.9051, 2.9051, 4.2403], "label": "Cr", "properties": {"magmom": -1.400071426749364}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.75, 0.25, 0.75], "xyz": [4.35765, 1.45255, 6.360450000000001], "label": "Cr", "properties": {"magmom": -1.400071426749364}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.25, 0.75, 0.25], "xyz": [1.4525499999999998, 4.35765, 2.1201500000000006], "label": "Cr", "properties": {"magmom": -1.400071426749364}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.25, 0.25, 0.75], "xyz": [1.45255, 1.45255, 6.360450000000001], "label": "Cr", "properties": {"magmom": -1.400071426749364}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.75, 0.75, 0.25], "xyz": [4.35765, 4.35765, 2.1201500000000006], "label": "Cr", "properties": {"magmom": -1.400071426749364}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.0, 0.5, 0.0], "xyz": [-1.778860708101488e-16, 2.9051, 1.778860708101488e-16], "label": "Cr", "properties": {"magmom": -1.400071426749364}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.5, 0.0, 0.5], "xyz": [2.9051, 0.0, 4.2403], "label": "Cr", "properties": {"magmom": -1.400071426749364}}, {"species": [{"element": "Ni", "occu": 1.0}], "abc": [0.0, 0.25, 0.375], "xyz": [-8.89430354050744e-17, 1.45255, 3.1802250000000005], "label": "Ni", "properties": {"magmom": 1.6404877323527902}}, {"species": [{"element": "Ni", 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[{"element": "O", "occu": 1.0}], "abc": [0.2679, 0.25, 0.5163], "xyz": [1.5565525800000002, 1.45255, 4.378533780000001], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.7679, 0.75, 0.01630000000000001], "xyz": [4.46165258, 4.35765, 0.13823378000000064], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.0, 0.5179, 0.2337], "xyz": [-1.8425439214515213e-16, 3.00910258, 1.9819162200000002], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.5, 0.017900000000000027, 0.7337], "xyz": [2.9051, 0.10400258000000016, 6.222216220000001], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.7321, 0.75, 0.4837], "xyz": [4.25364742, 4.35765, 4.102066220000001], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.23209999999999997, 0.25, 0.9837], "xyz": [1.3485474199999998, 1.45255, 8.34236622], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.0, 0.4821, 0.7663], "xyz": [-1.7151774947514546e-16, 2.80109742, 6.49868378], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.5, 0.9821, 0.2663], "xyz": [2.9050999999999996, 5.70619742, 2.2583837800000004], "label": "O", "properties": {"magmom": 0.0}}]}