GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct
HTTP 200 OK
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Content-Type: application/json
Vary: Accept

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            "id": "mp-1233269",
            "created_at": "2022-09-04T14:39:05.494613Z",
            "structure_string": "Mg1 Cu1 P4 Ru2 O14\n1.0\n4.982862 -0.118641 0.274295\n-1.985673 -6.512673 0.312995\n-0.156315 0.235110 -8.566573\nMg Cu P Ru O\n1 1 4 2 14\ndirect\n0.903921 0.884155 0.648606 Mg\n0.025013 0.159412 0.383922 Cu\n0.381190 0.723795 0.835119 P\n0.600401 0.261655 0.188680 P\n0.993257 0.663178 0.292603 P\n0.004501 0.328702 0.724360 P\n0.499140 0.493357 0.508654 Ru\n0.990646 0.992110 0.011229 Ru\n0.108102 0.843899 0.199920 O\n0.879287 0.132945 0.803358 O\n0.499913 0.741313 0.671726 O\n0.500887 0.247214 0.355129 O\n0.231282 0.484815 0.848525 O\n0.758884 0.498126 0.173881 O\n0.149428 0.837241 0.830714 O\n0.823538 0.137673 0.181917 O\n0.207570 0.556531 0.347931 O\n0.801776 0.441950 0.667145 O\n0.599128 0.785413 0.972472 O\n0.376968 0.201715 0.052095 O\n0.178756 0.256328 0.596058 O\n0.833633 0.726623 0.432517 O\n",
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            "nelements": 5,
            "elements": [
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            "chemical_system": "Cu-Mg-O-P-Ru",
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            "density_atomic": 0.07878238134541792,
            "volume": 279.250253981813,
            "volume_molar": 7.644019712473766,
            "formula_full": "Mg1 Cu1 P4 Ru2 O14",
            "formula_reduced": "MgCuP4(RuO7)2",
            "formula_anonymous": "ABC2D4E14",
            "energy": -162.08171932,
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            "created_at": "2022-09-04T14:39:05.497769Z",
            "structure_string": "Ce10 U1 S16\n1.0\n8.487559 0.000000 0.000000\n0.000000 8.487559 0.000000\n0.000000 0.000000 8.466998\nCe U S\n10 1 16\ndirect\n0.875178 0.755329 0.862306 Ce\n0.244671 0.875178 0.137694 Ce\n0.500000 0.000000 0.753372 Ce\n0.124822 0.244671 0.862306 Ce\n0.755329 0.124822 0.137694 Ce\n0.366477 0.245523 0.380341 Ce\n0.754477 0.366477 0.619659 Ce\n0.000000 0.500000 0.246628 Ce\n0.245523 0.633523 0.619659 Ce\n0.633523 0.754477 0.380341 Ce\n0.500000 0.500000 0.000000 U\n0.332653 0.921497 0.455679 S\n0.569224 0.819606 0.051890 S\n0.921063 0.818503 0.186783 S\n0.430776 0.180394 0.051890 S\n0.078937 0.181497 0.186783 S\n0.181497 0.921063 0.813217 S\n0.667347 0.078503 0.455679 S\n0.818503 0.078937 0.813217 S\n0.819606 0.430776 0.948110 S\n0.078503 0.332653 0.544321 S\n0.426048 0.328172 0.704580 S\n0.921497 0.667347 0.544321 S\n0.573952 0.671828 0.704580 S\n0.180394 0.569224 0.948110 S\n0.671828 0.426048 0.295420 S\n0.328172 0.573952 0.295420 S\n",
            "nsites": 27,
            "nelements": 3,
            "elements": [
                "Ce",
                "U",
                "S"
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            "chemical_system": "Ce-S-U",
            "density": 5.859256204902534,
            "density_atomic": 0.04426583842931225,
            "volume": 609.9511713330829,
            "volume_molar": 13.604488187017417,
            "formula_full": "Ce10 U1 S16",
            "formula_reduced": "Ce10US16",
            "formula_anonymous": "AB10C16",
            "energy": -197.58299678,
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            "energy_above_hull": null,
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            "updated_at": "2021-11-28T01:34:31.474000Z",
            "spacegroup": 81
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        {
            "id": "mp-1225456",
            "created_at": "2022-09-04T14:39:05.511453Z",
            "structure_string": "Er1 Ti1 Fe11 N1\n1.0\n0.000000 0.000000 4.777524\n-4.309147 4.273705 2.388762\n-4.309147 -4.273705 -2.388762\nEr Ti Fe N\n1 1 11 1\ndirect\n0.006732 0.993268 0.006732 Er\n0.635015 0.364985 0.635015 Ti\n0.725829 0.774171 0.225829 Fe\n0.277445 0.222555 0.777445 Fe\n0.497388 0.780001 0.774777 Fe\n0.497388 0.225223 0.219999 Fe\n0.499961 0.997472 0.498579 Fe\n0.001146 0.997472 0.498579 Fe\n0.499961 0.501421 0.002528 Fe\n0.001146 0.501421 0.002528 Fe\n0.356984 0.643016 0.356984 Fe\n0.999822 0.359121 0.358764 Fe\n0.999822 0.641236 0.640879 Fe\n0.501361 0.998639 0.001361 N\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Er",
                "Ti",
                "Fe",
                "N"
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            "chemical_system": "Er-Fe-N-Ti",
            "density": 7.959178302112244,
            "density_atomic": 0.07956083126052237,
            "volume": 175.96598449502022,
            "volume_molar": 7.56922805429278,
            "formula_full": "Er1 Ti1 Fe11 N1",
            "formula_reduced": "ErTiFe11N",
            "formula_anonymous": "ABCD11",
            "energy": -116.92269016,
            "energy_per_atom": -8.351620725714286,
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            "updated_at": "2021-11-28T01:34:39.873000Z",
            "spacegroup": 44
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}