add 2 MP P1 structures

src/site/structures/mp-1229155.json

@@ -0,0 +1 @@
+{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.538843, 0.0, 0.0], [0.013561999999999736, 6.980989, 0.0], [0.011766000000000597, 0.062471999999996426, 13.284895000000004]], "pbc": [true, true, true], "a": 4.538843, "b": 6.981002173468005, "c": 13.285047096287055, "alpha": 89.73047155796912, "beta": 89.94925556341678, "gamma": 89.88869136103648, "volume": 420.9400424559625}, "sites": [{"species": [{"element": "Ag", "oxidation_state": 1, "occu": 1}], "abc": [0.012024000000000035, 0.7900990000000001, 0.457361], "xyz": [0.07067168039600022, 5.544244684303, 6.075992862095002], "label": "Ag+", "properties": {}}, {"species": [{"element": "Ag", "oxidation_state": 1, "occu": 1}], "abc": [0.011587999999999932, 0.21110200000000012, 0.544301], "xyz": [0.06186332357399996, 1.5077043119499989, 7.230981633395003], "label": "Ag+", "properties": {}}, {"species": [{"element": "Ag", "oxidation_state": 1, "occu": 1}], "abc": [0.987252, 0.29174500000000003, 0.043733], "xyz": [4.485453037604, 2.039400723781, 0.5809883130350002], "label": "Ag+", "properties": {}}, {"species": [{"element": "Ag", "oxidation_state": 1, "occu": 1}], "abc": [0.987558, 0.7051530000000001, 0.949779], "xyz": [4.503109100094001, 4.9819999300049975, 12.617714288205004], "label": "Ag+", "properties": {}}, {"species": [{"element": "Hg", "oxidation_state": 2, "occu": 1}], "abc": [0.501077, 0.6275310000000001, 0.244061], "xyz": [2.285692031059, 4.396033986950999, 3.242324758595001], "label": "Hg2+", "properties": {}}, {"species": [{"element": "Hg", "oxidation_state": 2, "occu": 1}], "abc": [0.504748, 0.3705710000000001, 0.757356], "xyz": [2.3049086611620004, 2.634265618750998, 10.061394937620003], "label": "Hg2+", "properties": {}}, {"species": [{"element": "Hg", "oxidation_state": 2, "occu": 1}], "abc": [0.495424, 0.12873400000000002, 0.262097], "xyz": [2.2534814782419996, 0.9150643617099992, 3.4819311248150013], "label": "Hg2+", "properties": {}}, {"species": [{"element": "Hg", "oxidation_state": 2, "occu": 1}], "abc": [0.49655800000000005, 0.871745, 0.739496], "xyz": [2.2743223180200007, 6.131840049916998, 9.824126712920004], "label": "Hg2+", "properties": {}}, {"species": [{"element": "S", "oxidation_state": -2, "occu": 1}], "abc": [0.509305, 0.861151, 0.378621], "xyz": [2.327789218663, 6.035338869450999, 5.0299402297950015], "label": "S2-", "properties": {}}, {"species": [{"element": "S", "oxidation_state": -2, "occu": 1}], "abc": [0.509056, 0.13759900000000014, 0.623569], "xyz": [2.3197282927000002, 0.9995327079789987, 8.284048690255004], "label": "S2-", "properties": {}}, {"species": [{"element": "S", "oxidation_state": -2, "occu": 1}], "abc": [0.489144, 0.36278900000000003, 0.127331], "xyz": [2.2265661413560003, 2.540580640553, 1.6915789652450006], "label": "S2-", "properties": {}}, {"species": [{"element": "S", "oxidation_state": -2, "occu": 1}], "abc": [0.491765, 0.6355380000000002, 0.872781], "xyz": [2.2509324354970004, 4.491208161713998, 11.594803942995004], "label": "S2-", "properties": {}}, {"species": [{"element": "Br", "oxidation_state": -1, "occu": 1}], "abc": [0.0048160000000000425, 0.874179, 0.127765], "xyz": [0.03521796647600004, 6.110615718111, 1.6973446096750004], "label": "Br-", "properties": {}}, {"species": [{"element": "Cl", "oxidation_state": -1, "occu": 1}], "abc": [5.999999999994898e-05, 0.13324700000000012, 0.87003], "xyz": [0.012316199374000254, 0.9845483554429977, 11.558257196850002], "label": "Cl-", "properties": {}}, {"species": [{"element": "Cl", "oxidation_state": -1, "occu": 1}], "abc": [0.999898, 0.3710000000000001, 0.372063], "xyz": [4.547789233272, 2.6131904387359994, 4.942817888385001], "label": "Cl-", "properties": {}}, {"species": [{"element": "Cl", "oxidation_state": -1, "occu": 1}], "abc": [0.999726, 0.6278170000000001, 0.629655], "xyz": [4.553522331902, 4.422119378172998, 8.364900561225003], "label": "Cl-", "properties": {}}]}

src/site/structures/mp-1229168.json

@@ -0,0 +1 @@
+{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.159880001666245, 0.0, 0.0], [-0.002957293108540756, 6.238751344303441, 0.0], [-2.4372675303783486, -0.036949302368814906, 25.404618131107643]], "pbc": [true, true, true], "a": 6.159880001666245, "b": 6.238752045211487, "c": 25.521290340674103, "alpha": 90.0803581990236, "beta": 95.48006314615772, "gamma": 90.02715934517353, "volume": 976.2984494771206}, "sites": [{"species": [{"element": "Al", "occu": 1}], "abc": [0.08372771999999998, 0.79287052, 0.24380427], "xyz": [-0.08080827355024645, 4.93751362481753, 6.1937543780834625], "label": "Al", "properties": {}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.09156086999999997, 0.79251745, 0.57691595], "xyz": [-0.8444382470374995, 4.923002664693492, 14.656329403495189], "label": "Al", "properties": {}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.09016253999999997, 0.79166971, 0.91068154], "xyz": [-1.6665253202891424, 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