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{
"id": "mp-1028058",
"created_at": "2022-09-04T14:44:10.220393Z",
"structure_string": "Sr1 Y1 Mg14\n1.0\n6.642857 -0.004093 0.000000\n-3.324973 5.759022 0.000000\n0.000000 0.000000 10.585841\nSr Y Mg\n1 1 14\ndirect\n0.169540 0.834769 0.125000 Sr\n0.175330 0.337665 0.125000 Y\n0.164489 0.332244 0.625000 Mg\n0.165730 0.832865 0.625000 Mg\n0.663502 0.331354 0.125000 Mg\n0.667792 0.333405 0.625000 Mg\n0.663502 0.832147 0.125000 Mg\n0.667792 0.834386 0.625000 Mg\n0.338613 0.174848 0.386878 Mg\n0.338613 0.174848 0.863122 Mg\n0.338613 0.663766 0.386878 Mg\n0.338613 0.663766 0.863122 Mg\n0.831023 0.165512 0.376112 Mg\n0.831023 0.165512 0.873888 Mg\n0.822913 0.661457 0.383068 Mg\n0.822913 0.661457 0.866932 Mg\n",
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{
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"structure_string": "Bi3 Se4\n1.0\n13.391978 -2.163889 0.000000\n13.391978 2.163889 0.000000\n13.042335 0.000000 3.731621\nBi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Bi\n0.426089 0.426089 0.426089 Bi\n0.573911 0.573911 0.573911 Bi\n0.128035 0.128035 0.128035 Se\n0.871965 0.871965 0.871965 Se\n0.291517 0.291517 0.291517 Se\n0.708483 0.708483 0.708483 Se\n",
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"spacegroup": 166
},
{
"id": "mp-510382",
"created_at": "2022-09-04T14:48:28.335174Z",
"structure_string": "Fe3 Pt1 N1\n1.0\n4.690942 0.000000 0.000000\n0.000000 4.690942 0.000000\n0.000000 0.000000 4.690942\nFe Pt N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
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"density": 6.058691781427252,
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"volume": 103.22388246464736,
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"spacegroup": 221
},
{
"id": "mp-10611",
"created_at": "2022-09-04T14:47:03.109519Z",
"structure_string": "La3 Pb1 C1\n1.0\n5.241608 0.000000 0.000000\n0.000000 5.241608 0.000000\n0.000000 0.000000 5.241608\nLa Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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"density": 7.33268149695804,
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"updated_at": "2021-11-28T01:37:57.046000Z",
"spacegroup": 221
},
{
"id": "mp-1187497",
"created_at": "2022-09-04T14:45:06.948375Z",
"structure_string": "Ti1 Ge1 Rh2\n1.0\n0.000000 3.082008 3.082008\n3.082008 0.000000 3.082008\n3.082008 3.082008 0.000000\nTi Ge Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ge\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:36:49.121000Z",
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{
"id": "mp-864635",
"created_at": "2022-09-04T14:47:36.356501Z",
"structure_string": "Ag4 Cl6\n1.0\n6.405538 -3.351452 0.000000\n6.405538 3.351452 0.000000\n4.652018 0.000000 5.533703\nAg Cl\n4 6\ndirect\n0.843000 0.843000 0.843000 Ag\n0.657000 0.657000 0.657000 Ag\n0.343000 0.343000 0.343000 Ag\n0.157000 0.157000 0.157000 Ag\n0.250000 0.567635 0.932365 Cl\n0.567635 0.932365 0.250000 Cl\n0.932365 0.250000 0.567635 Cl\n0.067635 0.750000 0.432365 Cl\n0.432365 0.067635 0.750000 Cl\n0.750000 0.432365 0.067635 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ag-Cl",
"density": 4.502245347141671,
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"volume": 237.59344666177012,
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"formula_full": "Ag4 Cl6",
"formula_reduced": "Ag2Cl3",
"formula_anonymous": "A2B3",
"energy": -29.895405080000003,
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"updated_at": "2021-11-28T01:38:16.495000Z",
"spacegroup": 167
},
{
"id": "mp-1028163",
"created_at": "2022-09-04T14:47:42.143533Z",
"structure_string": "Mg14 Al1 Bi1\n1.0\n6.338420 -0.168771 0.000000\n-3.315370 5.742389 0.000000\n0.000000 0.000000 10.369121\nMg Al Bi\n14 1 1\ndirect\n0.168754 0.334377 0.625000 Mg\n0.169757 0.834878 0.625000 Mg\n0.668962 0.334066 0.125000 Mg\n0.667511 0.333306 0.625000 Mg\n0.668962 0.834895 0.125000 Mg\n0.667511 0.834204 0.625000 Mg\n0.332420 0.173979 0.375659 Mg\n0.332420 0.173979 0.874341 Mg\n0.332420 0.658442 0.375659 Mg\n0.332420 0.658442 0.874341 Mg\n0.837087 0.168544 0.371246 Mg\n0.837087 0.168544 0.878754 Mg\n0.828918 0.664460 0.380577 Mg\n0.828918 0.664460 0.869423 Mg\n0.163600 0.331799 0.125000 Al\n0.163253 0.831626 0.125000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Al",
"Bi"
],
"chemical_system": "Al-Bi-Mg",
"density": 2.5748923701931226,
"density_atomic": 0.043055896799293954,
"volume": 371.6099579712476,
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"formula_full": "Mg14 Al1 Bi1",
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"updated_at": "2021-11-28T01:38:13.416000Z",
"spacegroup": 38
},
{
"id": "mp-1028360",
"created_at": "2022-09-04T14:46:36.704466Z",
"structure_string": "Li1 Mg14 Ni1\n1.0\n6.282272 -0.061252 0.000000\n-3.194182 5.532484 0.000000\n0.000000 0.000000 9.788836\nLi Mg Ni\n1 14 1\ndirect\n0.166167 0.833083 0.125000 Li\n0.171051 0.335525 0.625000 Mg\n0.174115 0.837057 0.625000 Mg\n0.689362 0.348301 0.125000 Mg\n0.664294 0.329108 0.625000 Mg\n0.689362 0.841060 0.125000 Mg\n0.664294 0.835184 0.625000 Mg\n0.319031 0.167664 0.354190 Mg\n0.319031 0.167664 0.895810 Mg\n0.319031 0.651368 0.354190 Mg\n0.319031 0.651368 0.895810 Mg\n0.840251 0.170126 0.364456 Mg\n0.840251 0.170126 0.885544 Mg\n0.832110 0.666056 0.378791 Mg\n0.832110 0.666056 0.871209 Mg\n0.160511 0.330255 0.125000 Ni\n",
"nsites": 16,
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"elements": [
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],
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"density": 1.9923081808891507,
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"volume": 338.3111709173544,
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"formula_full": "Li1 Mg14 Ni1",
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"updated_at": "2021-11-28T01:37:46.603000Z",
"spacegroup": 38
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{
"id": "mp-1021467",
"created_at": "2022-09-04T14:39:43.732590Z",
"structure_string": "K2 Mg12 B2\n1.0\n3.107124 0.000000 0.000000\n0.000000 6.488895 0.000000\n0.000000 0.000000 19.638814\nK Mg B\n2 12 2\ndirect\n0.000000 0.500000 0.283434 K\n0.000000 0.000000 0.783434 K\n0.000000 0.259090 0.099077 Mg\n0.000000 0.740910 0.099077 Mg\n0.000000 0.000000 0.345125 Mg\n0.500000 0.749928 0.457661 Mg\n0.500000 0.250072 0.457661 Mg\n0.500000 0.000000 0.208350 Mg\n0.000000 0.759090 0.599077 Mg\n0.000000 0.240910 0.599077 Mg\n0.000000 0.500000 0.845125 Mg\n0.500000 0.249928 0.957661 Mg\n0.500000 0.750072 0.957661 Mg\n0.500000 0.500000 0.708350 Mg\n0.500000 0.500000 0.049615 B\n0.500000 0.000000 0.549615 B\n",
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{
"id": "mp-631333",
"created_at": "2022-09-04T14:46:25.201060Z",
"structure_string": "Li1 Pd1 W2\n1.0\n0.000000 3.106115 3.106115\n3.106115 0.000000 3.106115\n3.106115 3.106115 0.000000\nLi Pd W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pd\n0.750000 0.750000 0.750000 W\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
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"spacegroup": 225
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{
"id": "mp-38394",
"created_at": "2022-09-04T14:43:44.681344Z",
"structure_string": "Ba1 Al2 Te4\n1.0\n-4.347533 4.347533 3.367674\n4.347533 -4.347533 3.367674\n4.347533 4.347533 -3.367674\nBa Al Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.917128 0.082872 0.500000 Te\n0.082872 0.582872 0.165745 Te\n0.417128 0.917128 0.834255 Te\n0.582872 0.417128 0.500000 Te\n",
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"formula_full": "Ba1 Al2 Te4",
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"energy": -29.903943009999995,
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"spacegroup": 97
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{
"id": "mp-1021278",
"created_at": "2022-09-04T14:46:01.903269Z",
"structure_string": "Li2 Mg12 Ga2\n1.0\n4.987163 0.000000 0.000000\n0.000000 6.255720 0.000000\n0.000000 0.000000 10.930701\nLi Mg Ga\n2 12 2\ndirect\n0.500000 0.000000 0.167372 Li\n0.500000 0.500000 0.667372 Li\n0.500000 0.249151 0.416463 Mg\n0.500000 0.750849 0.416463 Mg\n0.000000 0.749417 0.085134 Mg\n0.000000 0.250583 0.085134 Mg\n0.000000 0.000000 0.332102 Mg\n0.000000 0.500000 0.331405 Mg\n0.500000 0.749151 0.916463 Mg\n0.500000 0.250849 0.916463 Mg\n0.000000 0.249417 0.585134 Mg\n0.000000 0.750583 0.585134 Mg\n0.000000 0.500000 0.832102 Mg\n0.000000 0.000000 0.831405 Mg\n0.500000 0.500000 0.165923 Ga\n0.500000 0.000000 0.665923 Ga\n",
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]
}