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{
"id": "jvasp-21270",
"created_at": "2022-09-04T14:37:29.864224Z",
"updated_at": "2022-09-04T14:37:29.864256Z",
"structure_string": "Al4 Si4 P12\n1.0\n5.922357 -0.000000 0.000000\n0.000000 6.151006 0.000000\n0.000000 0.000000 9.971882\nAl Si P\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000126 0.561936 0.750000 Si\n-0.000126 0.438065 0.250000 Si\n0.499874 0.061935 0.250000 Si\n0.500126 0.938065 0.750000 Si\n0.111450 0.085597 0.250000 P\n0.888550 0.914404 0.750000 P\n0.610939 0.892304 0.441307 P\n0.110938 0.607697 0.058693 P\n0.889062 0.392303 0.558693 P\n0.110938 0.607697 0.441307 P\n0.389062 0.107697 0.558693 P\n0.610939 0.892304 0.058693 P\n0.611451 0.414404 0.250000 P\n0.388550 0.585597 0.750000 P\n0.389062 0.107697 0.941307 P\n0.889062 0.392303 0.941307 P\n",
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{
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"updated_at": "2022-09-04T14:36:36.114102Z",
"structure_string": "Al3 Si1 Pd4\n1.0\n4.894493 -0.001865 -0.052621\n-0.053170 4.894204 -0.052621\n-0.001846 -0.001865 4.894775\nAl Si Pd\n3 1 4\ndirect\n0.341365 0.158427 0.649972 Al\n0.158427 0.649970 0.341367 Al\n0.649971 0.341365 0.158428 Al\n0.843739 0.843738 0.843742 Si\n0.144284 0.144284 0.144284 Pd\n0.655623 0.850264 0.356321 Pd\n0.850265 0.356318 0.655625 Pd\n0.356319 0.655622 0.850267 Pd\n",
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"formula_full": "Al3 Si1 Pd4",
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"formula_anonymous": "AB3C4",
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{
"id": "jvasp-107080",
"created_at": "2022-09-04T14:36:57.565776Z",
"updated_at": "2022-09-04T14:36:57.565800Z",
"structure_string": "Al4 Si1 Pd1\n1.0\n4.052581 -0.013172 6.031388\n1.828352 3.616727 6.031388\n-0.021497 -0.013172 7.266401\nAl Si Pd\n4 1 1\ndirect\n0.630747 0.630749 0.630749 Al\n0.121063 0.121064 0.121064 Al\n0.878934 0.878938 0.878937 Al\n0.369251 0.369252 0.369252 Al\n0.499999 0.500001 0.500000 Si\n0.000000 0.000000 0.000000 Pd\n",
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"elements": [
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"density_atomic": 0.05590415040638049,
"volume": 107.3265572660452,
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"formula_full": "Al4 Si1 Pd1",
"formula_reduced": "Al4SiPd",
"formula_anonymous": "ABC4",
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"spacegroup": 166
},
{
"id": "jvasp-42044",
"created_at": "2022-09-04T14:37:42.784391Z",
"updated_at": "2022-09-04T14:37:42.784413Z",
"structure_string": "Al1 Si1 Ru2\n1.0\n-0.000090 2.965492 2.965492\n2.965492 -0.000090 2.965492\n2.965492 2.965492 -0.000090\nAl Si Ru\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Al\n0.749999 0.749999 0.749999 Si\n-0.000001 -0.000001 -0.000001 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.188265394035332,
"density_atomic": 0.07668668333271408,
"volume": 52.160294671312556,
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"formula_full": "Al1 Si1 Ru2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-90934",
"created_at": "2022-09-04T14:36:09.148521Z",
"updated_at": "2022-09-04T14:36:09.148547Z",
"structure_string": "Al1 Si1 Tc2\n1.0\n-8.313953 -0.000000 -4.800062\n-8.679234 -0.002182 5.432749\n-5.663368 8.527978 0.209114\nAl Si Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Si\n0.736166 0.000000 0.000000 Tc\n0.263834 0.000000 0.000000 Tc\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.005401504006625856,
"volume": 740.5344872637927,
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"formula_full": "Al1 Si1 Tc2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-5839",
"created_at": "2022-09-04T14:36:14.659129Z",
"updated_at": "2022-09-04T14:36:14.659157Z",
"structure_string": "Al2 Si2 Te6\n1.0\n3.465173 -6.001856 0.000000\n3.465173 6.001856 0.000000\n0.000000 0.000000 7.156463\nAl Si Te\n2 2 6\ndirect\n0.333332 0.666667 0.499965 Al\n0.666667 0.333332 0.500034 Al\n-0.000000 -0.000000 0.661176 Si\n-0.000000 -0.000000 0.338824 Si\n0.355257 0.355236 0.249612 Te\n-0.000021 0.644743 0.249612 Te\n0.644763 0.000020 0.249612 Te\n0.000020 0.355257 0.750388 Te\n0.644742 0.644763 0.750388 Te\n0.355237 -0.000021 0.750388 Te\n",
"nsites": 10,
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"elements": [
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"density": 4.885200895102251,
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"volume": 297.67263995251983,
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"formula_full": "Al2 Si2 Te6",
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"spacegroup": 162
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{
"id": "jvasp-108159",
"created_at": "2022-09-04T14:38:04.181539Z",
"updated_at": "2022-09-04T14:38:04.181562Z",
"structure_string": "Al1 Si3 W2\n1.0\n3.244546 0.000000 0.000000\n0.000000 3.244546 0.000000\n-0.000000 0.000000 8.097303\nAl Si W\n1 3 2\ndirect\n0.500001 0.500001 0.168038 Al\n0.000000 0.000000 0.665961 Si\n0.000000 0.000000 0.335949 Si\n0.500001 0.500001 0.837030 Si\n0.000000 0.000000 0.988519 W\n0.500001 0.500001 0.504503 W\n",
"nsites": 6,
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],
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"density": 9.329578649706834,
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"volume": 85.24094631216133,
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"formula_full": "Al1 Si3 W2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 99
},
{
"id": "jvasp-8297",
"created_at": "2022-09-04T14:37:07.065065Z",
"updated_at": "2022-09-04T14:37:07.065085Z",
"structure_string": "Al1 Sn1 F5\n1.0\n3.533996 0.000000 1.299595\n1.435219 5.269294 1.552006\n-0.081672 0.015539 5.676894\nAl Sn F\n1 1 5\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Sn\n0.500001 0.769177 0.230823 F\n0.500001 0.230822 0.769178 F\n0.717323 0.282678 0.282678 F\n0.282679 0.717322 0.717322 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 7,
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"elements": [
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"density": 3.7627428314477007,
"density_atomic": 0.06590328497559435,
"volume": 106.21625314416842,
"volume_molar": 9.13784610619964,
"formula_full": "Al1 Sn1 F5",
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"formula_anonymous": "ABC5",
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"spacegroup": 71
},
{
"id": "jvasp-111129",
"created_at": "2022-09-04T14:38:48.887175Z",
"updated_at": "2022-09-04T14:38:48.887200Z",
"structure_string": "Al1 Sn1 F5\n1.0\n5.444979 0.011124 -1.566106\n-0.966666 3.426350 -4.407527\n0.023453 -0.011124 5.665681\nAl Sn F\n1 1 5\ndirect\n0.500000 0.499999 -0.000001 Al\n0.000000 0.000000 0.000000 Sn\n0.769265 0.499999 0.269264 F\n0.230734 0.500001 0.730734 F\n0.282702 0.282702 -0.000001 F\n0.717297 0.717297 -0.000002 F\n0.500000 -0.000000 0.500000 F\n",
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"formula_full": "Al1 Sn1 F5",
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},
{
"id": "jvasp-8236",
"created_at": "2022-09-04T14:37:04.700654Z",
"updated_at": "2022-09-04T14:37:04.700673Z",
"structure_string": "Al1 Sn1 O3\n1.0\n4.035706 0.000000 -0.000000\n0.000000 4.035706 -0.000000\n0.000000 0.000000 4.035706\nAl Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Al1 Sn1 O3",
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},
{
"id": "jvasp-9645",
"created_at": "2022-09-04T14:37:27.472622Z",
"updated_at": "2022-09-04T14:37:27.472645Z",
"structure_string": "Al2 Sn4 O8\n1.0\n5.751144 0.334241 3.701485\n2.187401 5.329411 3.701485\n0.468493 0.334241 6.823280\nAl Sn O\n2 4 8\ndirect\n0.637116 0.637117 0.637119 Al\n0.362882 0.362883 0.362884 Al\n-0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.000001 Sn\n-0.000000 -0.000000 0.500000 Sn\n0.274014 0.763509 0.763511 O\n0.236490 0.236490 0.725986 O\n0.236490 0.725985 0.236491 O\n0.262588 0.262589 0.262589 O\n0.763509 0.763509 0.274016 O\n0.725985 0.236490 0.236491 O\n0.763509 0.274014 0.763511 O\n0.737410 0.737411 0.737413 O\n",
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"formula_full": "Al2 Sn4 O8",
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{
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"created_at": "2022-09-04T14:37:34.146460Z",
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"structure_string": "Al2 Sn4 O8\n1.0\n5.666800 0.021237 3.154210\n1.863987 5.351507 3.154210\n0.029768 0.021237 6.485428\nAl Sn O\n2 4 8\ndirect\n0.623382 0.623383 0.623381 Al\n0.376618 0.376619 0.376618 Al\n0.000000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.282925 0.736378 0.736376 O\n0.263624 0.263624 0.717075 O\n0.263624 0.717076 0.263623 O\n0.260819 0.260820 0.260819 O\n0.736377 0.736378 0.282925 O\n0.717075 0.263624 0.263623 O\n0.736377 0.282926 0.736376 O\n0.739181 0.739182 0.739180 O\n",
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}