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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1276",
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"results": [
{
"id": "jvasp-51717",
"created_at": "2022-09-04T14:38:16.098007Z",
"updated_at": "2022-09-04T14:38:16.098029Z",
"structure_string": "Mg4 H8 Ru2\n1.0\n3.485615 4.187037 -0.000000\n-3.485615 4.187037 -0.000000\n0.000000 0.000000 4.813401\nMg H Ru\n4 8 2\ndirect\n0.069791 0.647653 0.250000 Mg\n0.352348 0.930210 0.750000 Mg\n0.930210 0.352348 0.750000 Mg\n0.647653 0.069791 0.250000 Mg\n0.354030 0.867471 0.250000 H\n0.132530 0.645971 0.750000 H\n0.645971 0.132530 0.750000 H\n0.867471 0.354030 0.250000 H\n0.279557 0.279557 0.014064 H\n0.720444 0.720444 0.985936 H\n0.279557 0.279557 0.485936 H\n0.720444 0.720444 0.514064 H\n0.131424 0.131424 0.250000 Ru\n0.868577 0.868577 0.750000 Ru\n",
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"formula_full": "Mg4 H8 Ru2",
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{
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"structure_string": "Mg2 H6 Ru1\n1.0\n3.311097 3.311097 0.000000\n-0.000000 3.311097 3.311097\n3.311097 0.000000 3.311097\nMg H Ru\n2 6 1\ndirect\n0.750001 0.750001 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.254383 0.745618 0.745618 H\n0.254383 0.254383 0.745618 H\n0.254383 0.745618 0.254383 H\n0.745618 0.254383 0.254383 H\n0.745618 0.745618 0.254383 H\n0.745618 0.254383 0.745618 H\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Mg2 H6 Ru1",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-51723",
"created_at": "2022-09-04T14:37:27.037808Z",
"updated_at": "2022-09-04T14:37:27.037833Z",
"structure_string": "Mg6 Re2 H14\n1.0\n2.419913 -4.191413 0.000000\n2.419913 4.191413 -0.000000\n0.000000 0.000000 10.584395\nMg Re H\n6 2 14\ndirect\n0.333332 0.666666 0.430875 Mg\n0.666666 0.333332 0.569125 Mg\n0.666666 0.333332 0.930874 Mg\n0.333332 0.666666 0.069125 Mg\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.169432 0.830566 0.599241 H\n0.661134 0.830566 0.599241 H\n0.169432 0.338865 0.599241 H\n0.830566 0.169432 0.400758 H\n0.338865 0.169432 0.400758 H\n0.830566 0.661134 0.400758 H\n0.169432 0.830566 0.900758 H\n0.338865 0.169432 0.099241 H\n0.830566 0.661134 0.099241 H\n0.333332 0.666666 0.250000 H\n0.661134 0.830566 0.900758 H\n0.169432 0.338865 0.900758 H\n0.830566 0.169432 0.099241 H\n0.666666 0.333332 0.750000 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"H"
],
"chemical_system": "H-Mg-Re",
"density": 4.117127552844265,
"density_atomic": 0.10246285139619131,
"volume": 214.71196341133418,
"volume_molar": 5.877389393268293,
"formula_full": "Mg6 Re2 H14",
"formula_reduced": "Mg3ReH7",
"formula_anonymous": "AB3C7",
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"spacegroup": 194
},
{
"id": "jvasp-85680",
"created_at": "2022-09-04T14:36:02.366698Z",
"updated_at": "2022-09-04T14:36:02.366730Z",
"structure_string": "Rb6 Mg2 H10\n1.0\n-3.921288 3.921288 6.136156\n3.921288 -3.921288 6.136156\n3.921288 3.921288 -6.136156\nRb Mg H\n6 2 10\ndirect\n0.179158 0.679158 0.858316 Rb\n0.820843 0.320843 0.141685 Rb\n0.679158 0.820843 0.500000 Rb\n0.320843 0.179158 0.500000 Rb\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.290198 0.525900 0.500000 H\n0.025900 0.790199 0.500000 H\n0.790199 0.290198 0.764299 H\n0.525900 0.025900 0.235702 H\n0.474100 0.974101 0.764299 H\n0.974101 0.209802 0.500000 H\n0.209802 0.709802 0.235702 H\n0.500000 0.500000 0.000000 H\n0.709802 0.474100 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.5144822850705517,
"density_atomic": 0.04769343921449987,
"volume": 377.41040060133884,
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"formula_full": "Rb6 Mg2 H10",
"formula_reduced": "Rb3MgH5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.1734454500000002,
"spacegroup": 140
},
{
"id": "jvasp-95568",
"created_at": "2022-09-04T14:36:04.734646Z",
"updated_at": "2022-09-04T14:36:04.734668Z",
"structure_string": "Rb8 Mg4 H16\n1.0\n14.010305 0.000000 0.000000\n0.000000 5.895147 0.000000\n0.000000 -0.000000 5.857441\nRb Mg H\n8 4 16\ndirect\n0.104492 0.000526 0.250000 Rb\n0.604492 0.499474 0.250000 Rb\n0.895507 -0.000526 0.750000 Rb\n0.395507 0.500526 0.750000 Rb\n0.395530 0.000588 0.250000 Rb\n0.895530 0.499412 0.250000 Rb\n0.604470 -0.000588 0.750000 Rb\n0.104470 0.500589 0.750000 Rb\n0.750006 0.499362 0.750000 Mg\n0.250006 0.000638 0.750000 Mg\n0.249994 0.500639 0.250000 Mg\n0.749993 -0.000638 0.250000 Mg\n0.749964 0.749321 0.499972 H\n0.249964 0.750680 0.000028 H\n0.749964 0.749321 0.000028 H\n0.249964 0.750680 0.499972 H\n0.250036 0.250679 0.500028 H\n0.750035 0.249321 -0.000028 H\n0.607712 0.499304 0.750000 H\n0.107702 0.500548 0.250000 H\n0.392288 0.500697 0.250000 H\n0.892288 0.999304 0.250000 H\n0.892298 0.499453 0.750000 H\n0.392298 0.000547 0.750000 H\n0.750035 0.249321 0.500028 H\n0.607702 -0.000547 0.250000 H\n0.107712 0.000696 0.750000 H\n0.250036 0.250679 -0.000028 H\n",
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"elements": [
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"Mg",
"H"
],
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"density": 2.7359364242949695,
"density_atomic": 0.057877248928283116,
"volume": 483.78249689606656,
"volume_molar": 10.40502247690134,
"formula_full": "Rb8 Mg4 H16",
"formula_reduced": "Rb2MgH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1831812928571428,
"spacegroup": 139
},
{
"id": "jvasp-23961",
"created_at": "2022-09-04T14:37:41.485986Z",
"updated_at": "2022-09-04T14:37:41.486008Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.945506 -5.101767 -0.000000\n2.945506 5.101767 0.000000\n0.000000 -0.000000 14.293744\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666668 0.333333 0.596035 Rb\n0.333333 0.666668 0.096036 Rb\n0.333333 0.666668 0.403964 Rb\n0.666668 0.333333 0.903964 Rb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.346166 Mg\n0.333333 0.666668 0.653834 Mg\n0.666668 0.333333 0.153834 Mg\n0.333333 0.666668 0.846166 Mg\n0.166069 0.833932 0.579846 H\n0.833932 0.166069 0.420154 H\n0.166069 0.833932 0.920154 H\n0.667862 0.833932 0.920154 H\n0.833932 0.667862 0.420154 H\n0.667862 0.833932 0.579846 H\n0.166069 0.332139 0.920154 H\n0.833932 0.166069 0.079846 H\n0.477255 0.522746 0.750000 H\n0.332139 0.166069 0.079846 H\n0.477255 0.954511 0.750000 H\n0.954511 0.477255 0.250000 H\n0.522746 0.477255 0.250000 H\n0.332139 0.166069 0.420154 H\n0.045490 0.522746 0.750000 H\n0.522746 0.045490 0.250000 H\n0.833932 0.667862 0.079846 H\n0.166069 0.332139 0.579846 H\n",
"nsites": 30,
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"elements": [
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"Mg",
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],
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"density": 2.616013052296296,
"density_atomic": 0.06983364765881184,
"volume": 429.59233844652965,
"volume_molar": 8.623551771808538,
"formula_full": "Rb6 Mg6 H18",
"formula_reduced": "RbMgH3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
},
{
"id": "jvasp-38155",
"created_at": "2022-09-04T14:38:31.057035Z",
"updated_at": "2022-09-04T14:38:31.057055Z",
"structure_string": "Rb4 Mg2 H8\n1.0\n0.000000 5.186242 4.051227\n0.000000 -5.186242 4.051227\n8.768813 0.000000 0.000000\nRb Mg H\n4 2 8\ndirect\n0.500000 0.999999 0.500001 Rb\n0.499999 0.000000 0.999999 Rb\n0.090358 0.409642 0.250000 Rb\n0.909642 0.590358 0.750000 Rb\n0.743738 0.756261 0.250000 Mg\n0.256261 0.243737 0.750000 Mg\n0.786000 0.047895 0.249999 H\n0.547894 0.286000 0.749999 H\n0.162631 0.337369 0.927730 H\n0.162631 0.337369 0.572269 H\n0.837368 0.662632 0.072269 H\n0.837369 0.662631 0.427731 H\n0.452107 0.714001 0.249999 H\n0.214000 0.952107 0.749999 H\n",
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"elements": [
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],
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"density": 1.7960399670517304,
"density_atomic": 0.037994249915725115,
"volume": 368.476809808151,
"volume_molar": 15.850137253288814,
"formula_full": "Rb4 Mg2 H8",
"formula_reduced": "Rb2MgH4",
"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-115072",
"created_at": "2022-09-04T14:38:42.703933Z",
"updated_at": "2022-09-04T14:38:42.703961Z",
"structure_string": "Mg2 P2 H2\n1.0\n4.333728 -0.000000 0.000000\n0.000000 4.333728 0.000000\n0.000000 -0.000000 5.360272\nMg P H\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.761565 P\n0.000000 0.500000 0.238435 P\n0.500000 0.000000 0.497709 H\n0.000000 0.500000 0.502290 H\n",
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"volume": 100.67233179195304,
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"formula_full": "Mg2 P2 H2",
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"spacegroup": 129
},
{
"id": "jvasp-115076",
"created_at": "2022-09-04T14:38:43.844053Z",
"updated_at": "2022-09-04T14:38:43.844063Z",
"structure_string": "Mg1 P1 H1\n1.0\n-1.888149 1.888149 3.364579\n1.888149 -1.888149 3.364579\n1.888149 1.888149 -3.364579\nMg P H\n1 1 1\ndirect\n0.011137 0.011137 0.000000 Mg\n0.525772 0.525772 0.000000 P\n0.313090 0.313090 0.000000 H\n",
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"formula_full": "Mg1 P1 H1",
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"spacegroup": 107
},
{
"id": "jvasp-115075",
"created_at": "2022-09-04T14:38:44.481585Z",
"updated_at": "2022-09-04T14:38:44.481618Z",
"structure_string": "Mg2 P1 H1\n1.0\n3.652037 0.000000 -0.000000\n0.000000 3.652037 0.000000\n-0.000000 0.000000 4.830620\nMg P H\n2 1 1\ndirect\n0.000000 0.000000 0.844696 Mg\n0.500001 0.500001 0.378309 Mg\n0.500001 0.500001 0.879287 P\n0.000000 0.000000 0.397706 H\n",
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"spacegroup": 99
},
{
"id": "jvasp-115073",
"created_at": "2022-09-04T14:38:44.645345Z",
"updated_at": "2022-09-04T14:38:44.645380Z",
"structure_string": "Mg1 P1 H2\n1.0\n3.789952 0.000000 0.000000\n0.000000 3.789952 -0.000000\n-0.000000 -0.000000 3.807462\nMg P H\n1 1 2\ndirect\n0.500000 0.500000 0.737540 Mg\n0.000000 0.000000 0.826037 P\n0.000000 0.000000 0.199477 H\n0.500000 0.500000 0.246945 H\n",
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"formula_full": "Mg1 P1 H2",
"formula_reduced": "MgPH2",
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"spacegroup": 99
},
{
"id": "jvasp-115071",
"created_at": "2022-09-04T14:38:44.631121Z",
"updated_at": "2022-09-04T14:38:44.631150Z",
"structure_string": "Mg1 P1 H1\n1.0\n2.704357 -0.000000 0.000000\n-0.000000 2.704357 0.000000\n-0.000000 -0.000000 6.829876\nMg P H\n1 1 1\ndirect\n0.000000 0.000000 0.611717 Mg\n0.000000 0.000000 0.043436 P\n0.000000 0.000000 0.259244 H\n",
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"volume": 49.95061765115552,
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"formula_full": "Mg1 P1 H1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
}
]
}