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{
"id": "jvasp-19071",
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{
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"structure_string": "Sr2 Al8 O14\n1.0\n4.831662 0.000000 0.000000\n0.000000 7.617785 -3.002123\n0.000000 -0.020202 8.187978\nSr Al O\n2 8 14\ndirect\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.557418 0.368810 0.631191 Al\n0.442581 0.631191 0.368810 Al\n0.500000 0.250000 0.250000 Al\n0.557418 0.131191 0.868810 Al\n0.442581 0.868810 0.131191 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.750001 0.750001 Al\n0.317908 0.750001 0.250000 O\n0.266279 0.073263 0.212222 O\n0.266279 0.712222 0.573264 O\n0.266279 0.426737 0.287779 O\n0.266279 0.787779 0.926737 O\n0.733720 0.573264 0.712222 O\n0.733720 0.212222 0.073263 O\n0.202313 0.383042 0.616959 O\n0.202313 0.116959 0.883042 O\n0.797687 0.616959 0.383042 O\n0.797687 0.883042 0.116959 O\n0.733720 0.926737 0.787779 O\n0.733720 0.287779 0.426737 O\n0.682091 0.250000 0.750000 O\n",
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{
"id": "jvasp-15054",
"created_at": "2022-09-04T14:36:45.418480Z",
"updated_at": "2022-09-04T14:36:45.418513Z",
"structure_string": "Sr1 Al4\n1.0\n4.197061 -0.000000 -1.567857\n-0.585690 4.155994 -1.567857\n0.020905 0.024058 6.457531\nSr Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.499999 Al\n0.249999 0.750000 0.499999 Al\n0.383722 0.383723 0.767444 Al\n0.616277 0.616277 0.232554 Al\n",
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{
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"updated_at": "2022-09-04T14:36:08.113283Z",
"structure_string": "Sr4 Al8 Si4 N8 O12\n1.0\n4.963386 0.000000 0.000000\n0.000000 8.126617 0.000000\n0.000000 0.000000 11.388207\nSr Al Si N O\n4 8 4 8 12\ndirect\n0.516029 0.043478 0.164768 Sr\n0.016029 0.456522 0.835232 Sr\n0.983972 0.956522 0.664768 Sr\n0.483972 0.543478 0.335232 Sr\n0.016113 0.028611 0.957462 Al\n0.516114 0.471389 0.042538 Al\n0.005676 0.337253 0.162409 Al\n0.483887 0.971390 0.457462 Al\n0.983888 0.528611 0.542538 Al\n0.994325 0.837253 0.337591 Al\n0.494325 0.662747 0.662409 Al\n0.505676 0.162747 0.837591 Al\n0.998389 0.702326 0.074558 Si\n0.501612 0.297675 0.574558 Si\n0.498388 0.797674 0.925442 Si\n0.001612 0.202326 0.425442 Si\n0.171260 0.520080 0.096325 N\n0.671261 0.979920 0.903675 N\n0.787063 0.344404 0.491051 N\n0.828741 0.020080 0.403675 N\n0.212938 0.844404 0.008949 N\n0.328740 0.479920 0.596325 N\n0.287063 0.155596 0.508950 N\n0.712938 0.655596 0.991051 N\n0.452096 0.846639 0.583719 O\n0.652755 0.368593 0.168386 O\n0.152755 0.131407 0.831614 O\n0.347246 0.868593 0.331614 O\n0.131906 0.292210 0.305103 O\n0.868095 0.792210 0.194897 O\n0.047904 0.153361 0.083719 O\n0.547904 0.346639 0.916281 O\n0.368095 0.707791 0.805103 O\n0.952097 0.653362 0.416282 O\n0.847246 0.631407 0.668386 O\n0.631906 0.207790 0.694897 O\n",
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{
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"created_at": "2022-09-04T14:38:04.429994Z",
"updated_at": "2022-09-04T14:38:04.430004Z",
"structure_string": "Sr6 Al12 O24\n1.0\n4.489666 -7.776328 -0.000000\n4.489666 7.776328 -0.000000\n-0.000000 0.000000 8.422156\nSr Al O\n6 12 24\ndirect\n0.666668 0.333333 0.281714 Sr\n0.333333 0.666668 0.781714 Sr\n0.666668 0.333333 0.742308 Sr\n0.333333 0.666668 0.242308 Sr\n0.000000 0.000000 0.760667 Sr\n0.000000 0.000000 0.260667 Sr\n0.663687 0.979395 0.554190 Al\n0.684293 0.663687 0.054190 Al\n0.979395 0.315708 0.054190 Al\n0.315708 0.336314 0.554190 Al\n0.336314 0.020606 0.054190 Al\n0.020606 0.684293 0.554190 Al\n0.677192 0.660806 0.447229 Al\n0.983615 0.322810 0.447229 Al\n0.016386 0.677191 0.947229 Al\n0.322809 0.339195 0.947229 Al\n0.339195 0.016386 0.447229 Al\n0.660806 0.983615 0.947229 Al\n0.110724 0.880579 0.040033 O\n0.769856 0.889277 0.040033 O\n0.230145 0.110724 0.540033 O\n0.889277 0.119422 0.540033 O\n0.729487 0.631379 0.251155 O\n0.631379 0.901892 0.751155 O\n0.901892 0.270514 0.251155 O\n0.098109 0.729487 0.751155 O\n0.880580 0.769856 0.540033 O\n0.119421 0.230145 0.040033 O\n0.790284 0.582423 0.935165 O\n0.093637 0.542060 0.020333 O\n0.582423 0.792139 0.435165 O\n0.417578 0.207862 0.935165 O\n0.792139 0.209717 0.935165 O\n0.209717 0.417578 0.435165 O\n0.448423 0.906364 0.020333 O\n0.542060 0.448422 0.520333 O\n0.906364 0.457941 0.520333 O\n0.270514 0.368622 0.751155 O\n0.457941 0.551579 0.020333 O\n0.551578 0.093637 0.520333 O\n0.207862 0.790284 0.435165 O\n0.368622 0.098108 0.251155 O\n",
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{
"id": "jvasp-98724",
"created_at": "2022-09-04T14:35:53.893408Z",
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"structure_string": "Sr4 Al8 O16\n1.0\n5.198974 -0.028777 0.000000\n-0.476641 8.435872 0.000000\n0.000000 0.000000 8.844022\nSr Al O\n4 8 16\ndirect\n0.251662 0.490616 0.000505 Sr\n0.198398 0.031311 0.992940 Sr\n0.801601 0.968688 0.492940 Sr\n0.748337 0.509384 0.500505 Sr\n0.709583 0.190528 0.829763 Al\n0.290416 0.809472 0.329763 Al\n0.729122 0.799672 0.837606 Al\n0.270877 0.200327 0.337606 Al\n0.222155 0.709572 0.667256 Al\n0.777844 0.290427 0.167256 Al\n0.802516 0.679030 0.169490 Al\n0.197484 0.320969 0.669490 Al\n0.405949 0.269096 0.815584 O\n0.594050 0.730903 0.315584 O\n0.356838 0.008470 0.387988 O\n0.340525 0.331290 0.488991 O\n0.659474 0.668709 0.988991 O\n0.898712 0.268611 0.981857 O\n0.101287 0.731389 0.481857 O\n0.938330 0.166949 0.291535 O\n0.061670 0.833050 0.791534 O\n0.898067 0.207201 0.662723 O\n0.101932 0.792798 0.162723 O\n0.885630 0.485427 0.219727 O\n0.114369 0.514573 0.719726 O\n0.643161 0.991529 0.887988 O\n0.436716 0.264231 0.169834 O\n0.563283 0.735768 0.669833 O\n",
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{
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"created_at": "2022-09-04T14:36:11.799418Z",
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"structure_string": "Sr1 Al2 B2 O7\n1.0\n8.202026 -2.467470 0.008796\n8.202085 2.467669 0.008821\n7.455476 0.000112 4.216995\nSr Al B O\n1 2 2 7\ndirect\n0.000082 0.000070 0.000031 Sr\n0.569949 0.569957 0.569939 Al\n0.430214 0.430170 0.430141 Al\n0.734677 0.734604 0.734595 B\n0.265509 0.265497 0.265487 B\n0.500035 0.500114 0.500037 O\n0.964631 0.514002 0.325134 O\n0.325168 0.964618 0.513998 O\n0.514017 0.325142 0.964600 O\n0.035550 0.674935 0.486084 O\n0.675029 0.486099 0.035484 O\n0.486174 0.035488 0.674948 O\n",
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{
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"structure_string": "Sr2 Al4 B4 O14\n1.0\n16.133035 -2.474219 -0.003308\n16.133035 2.474219 -0.003308\n15.754456 -0.000000 4.265410\nSr Al B O\n2 4 4 14\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.714869 0.714869 0.714868 Al\n0.214869 0.214869 0.214869 Al\n0.285131 0.285131 0.285131 Al\n0.785132 0.785132 0.785131 Al\n0.132943 0.132943 0.132943 B\n0.367057 0.367057 0.367057 B\n0.867058 0.867058 0.867056 B\n0.632944 0.632944 0.632943 B\n0.750001 0.750001 0.749999 O\n0.250000 0.250000 0.250000 O\n0.562547 0.109996 0.924996 O\n0.924997 0.562547 0.109996 O\n0.109996 0.924997 0.562546 O\n0.937454 0.575005 0.390003 O\n0.437454 0.890004 0.075004 O\n0.390004 0.937454 0.575004 O\n0.075004 0.437454 0.890004 O\n0.062547 0.424996 0.609996 O\n0.424996 0.609997 0.062546 O\n0.609997 0.062547 0.424996 O\n0.575005 0.390004 0.937453 O\n0.890004 0.075004 0.437453 O\n",
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{
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"created_at": "2022-09-04T14:37:03.960163Z",
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"structure_string": "Sr1 Al2 B2 O7\n1.0\n4.737223 0.008137 7.135076\n2.158991 4.216647 7.135076\n0.013281 0.008137 8.564486\nSr Al B O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.430104 0.430106 0.430106 Al\n0.569894 0.569896 0.569896 Al\n0.265450 0.265451 0.265451 B\n0.734548 0.734551 0.734550 B\n0.035439 0.674791 0.486136 O\n0.486134 0.035440 0.674791 O\n0.674789 0.486136 0.035440 O\n0.499999 0.500001 0.500001 O\n0.325208 0.964562 0.513866 O\n0.513864 0.325211 0.964561 O\n0.964559 0.513866 0.325211 O\n",
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{
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"structure_string": "Sr2 Al4\n1.0\n5.082978 -0.000000 2.934658\n1.694326 4.792277 2.934658\n0.000000 0.000000 5.869317\nSr Al\n2 4\ndirect\n0.125000 0.125000 0.125000 Sr\n0.875001 0.875001 0.875000 Sr\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500001 0.500000 0.500000 Al\n0.500001 0.500000 -0.000000 Al\n",
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{
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"created_at": "2022-09-04T14:36:16.442612Z",
"updated_at": "2022-09-04T14:36:16.442625Z",
"structure_string": "Sr2 Al24 O38\n1.0\n5.622457 -0.000000 -0.000000\n-2.811228 4.869190 0.000000\n-0.000000 -0.000000 22.085424\nSr Al O\n2 24 38\ndirect\n0.666667 0.333333 0.250000 Sr\n0.333333 0.666667 0.750000 Sr\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.309347 Al\n0.666667 0.333333 0.809347 Al\n0.666667 0.333333 0.690653 Al\n0.333333 0.666667 0.190653 Al\n0.168151 0.831849 0.608943 Al\n0.168151 0.336301 0.608943 Al\n0.663699 0.831849 0.608943 Al\n0.336301 0.168151 0.108943 Al\n0.000000 0.000000 0.000000 Al\n0.831849 0.663699 0.108943 Al\n0.831849 0.663699 0.391057 Al\n0.663699 0.831849 0.891057 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.168151 0.831849 0.891057 Al\n0.666667 0.333333 0.528455 Al\n0.666667 0.333333 0.971545 Al\n0.333333 0.666667 0.028455 Al\n0.168151 0.336301 0.891057 Al\n0.831849 0.168151 0.391057 Al\n0.336301 0.168151 0.391057 Al\n0.333333 0.666667 0.471545 Al\n0.831849 0.168151 0.108943 Al\n0.666667 0.333333 0.054333 O\n0.845305 0.690609 0.552104 O\n0.363514 0.181757 0.750000 O\n0.818243 0.181757 0.750000 O\n0.181757 0.363514 0.250000 O\n0.333333 0.666667 0.554333 O\n0.502400 0.497600 0.351643 O\n0.000000 0.000000 0.350246 O\n0.502401 0.004800 0.351643 O\n0.995201 0.497600 0.351643 O\n0.004799 0.502400 0.851643 O\n0.497600 0.995200 0.648357 O\n0.497600 0.502400 0.851643 O\n0.497600 0.995200 0.851643 O\n0.502400 0.497600 0.148357 O\n0.995201 0.497600 0.148357 O\n0.004799 0.502400 0.648357 O\n0.497600 0.502400 0.648357 O\n0.502401 0.004800 0.148357 O\n0.154695 0.845304 0.447896 O\n0.154696 0.309391 0.447896 O\n0.333333 0.666667 0.945667 O\n0.690609 0.845304 0.447896 O\n0.309392 0.154696 0.947896 O\n0.845305 0.154696 0.947896 O\n0.845305 0.690609 0.947896 O\n0.154695 0.845304 0.052104 O\n0.690609 0.845304 0.052104 O\n0.309392 0.154696 0.552104 O\n0.845305 0.154696 0.552104 O\n0.154696 0.309391 0.052104 O\n0.818243 0.636486 0.750000 O\n0.181757 0.818243 0.250000 O\n0.000000 0.000000 0.149754 O\n0.000000 0.000000 0.649754 O\n0.000000 0.000000 0.850246 O\n0.636486 0.818243 0.250000 O\n0.666667 0.333333 0.445667 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Sr",
"Al",
"O"
],
"chemical_system": "Al-O-Sr",
"density": 3.9294482171366734,
"density_atomic": 0.10585012337262295,
"volume": 604.628487533279,
"volume_molar": 5.689309155361424,
"formula_full": "Sr2 Al24 O38",
"formula_reduced": "SrAl12O19",
"formula_anonymous": "AB12C19",
"energy_above_hull": 2.5348964503125,
"spacegroup": 194
}
]
}