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{
"id": "jvasp-117056",
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"structure_string": "Sr10 Mn1 N8\n1.0\n10.520505 0.065425 4.641378\n1.103918 4.757246 -0.000000\n-0.041239 0.009569 8.447312\nSr Mn N\n10 1 8\ndirect\n0.414113 0.792945 0.714661 Sr\n0.388280 0.805862 0.140130 Sr\n0.190622 0.404690 0.059894 Sr\n0.809377 0.595312 0.940106 Sr\n0.287146 0.356427 0.470811 Sr\n0.611719 0.194140 0.859870 Sr\n0.943030 0.028486 0.225963 Sr\n0.056969 0.971516 0.774038 Sr\n0.585887 0.207057 0.285340 Sr\n0.712853 0.643575 0.529190 Sr\n-0.000000 0.500000 0.500000 Mn\n0.960501 0.519750 0.323932 N\n0.185048 0.907477 0.961707 N\n0.814951 0.092525 0.038293 N\n0.390532 0.804734 0.440145 N\n0.609467 0.195268 0.559855 N\n0.611383 0.694309 0.859517 N\n0.388616 0.305693 0.140484 N\n0.039498 0.480252 0.676068 N\n",
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"structure_string": "Sr10 P6 Cl2 O24\n1.0\n4.961990 -8.594418 0.000000\n4.961990 8.594418 0.000000\n-0.000000 -0.000000 7.215029\nSr P Cl O\n10 6 2 24\ndirect\n0.990853 0.743252 0.750000 Sr\n0.333333 0.666667 0.498889 Sr\n0.333333 0.666667 0.001111 Sr\n0.256748 0.247599 0.750000 Sr\n0.247599 0.990853 0.250000 Sr\n0.752401 0.009147 0.750000 Sr\n0.743252 0.752401 0.250000 Sr\n0.666667 0.333333 0.998889 Sr\n0.666667 0.333333 0.501111 Sr\n0.009147 0.256748 0.250000 Sr\n0.372131 0.965593 0.750000 P\n0.965593 0.593461 0.250000 P\n0.406539 0.372131 0.250000 P\n0.593461 0.627869 0.750000 P\n0.627869 0.034407 0.250000 P\n0.034407 0.406539 0.750000 P\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.910436 0.644269 0.424100 O\n0.119715 0.587774 0.750000 O\n0.145112 0.664464 0.250000 O\n0.266167 0.910436 0.575900 O\n0.266167 0.910436 0.924100 O\n0.355731 0.266167 0.075900 O\n0.355731 0.266167 0.424100 O\n0.412226 0.531942 0.750000 O\n0.335537 0.480649 0.250000 O\n0.910436 0.644269 0.075900 O\n0.089564 0.355731 0.575900 O\n0.880285 0.412226 0.250000 O\n0.664464 0.519352 0.750000 O\n0.587774 0.468059 0.250000 O\n0.644269 0.733833 0.575900 O\n0.644269 0.733833 0.924100 O\n0.733833 0.089564 0.075900 O\n0.733833 0.089564 0.424100 O\n0.854888 0.335537 0.750000 O\n0.480649 0.145112 0.750000 O\n0.519352 0.854888 0.250000 O\n0.468059 0.880285 0.750000 O\n0.089564 0.355731 0.924100 O\n0.531942 0.119715 0.250000 O\n",
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"id": "jvasp-13966",
"created_at": "2022-09-04T14:37:07.852747Z",
"updated_at": "2022-09-04T14:37:07.852772Z",
"structure_string": "Sr10 P6 O24 F2\n1.0\n4.887334 -8.465111 -0.000000\n4.887334 8.465111 -0.000000\n0.000000 -0.000000 7.309564\nSr P O F\n10 6 24 2\ndirect\n0.254656 0.240330 0.250000 Sr\n0.759670 0.014326 0.250000 Sr\n0.666667 0.333333 0.500039 Sr\n0.666667 0.333333 0.999960 Sr\n0.014326 0.254656 0.750000 Sr\n0.985673 0.745343 0.250000 Sr\n0.333333 0.666667 0.499960 Sr\n0.333333 0.666667 0.000039 Sr\n0.240330 0.985673 0.750000 Sr\n0.745343 0.759669 0.750000 Sr\n0.400146 0.368268 0.750000 P\n0.031878 0.400146 0.250000 P\n0.368268 0.968121 0.250000 P\n0.968121 0.599853 0.750000 P\n0.599853 0.631731 0.250000 P\n0.631732 0.031878 0.750000 P\n0.260436 0.915234 0.078093 O\n0.583818 0.464547 0.750000 O\n0.330602 0.480582 0.750000 O\n0.119271 0.583818 0.250000 O\n0.480582 0.149980 0.250000 O\n0.345202 0.260436 0.578093 O\n0.345202 0.260436 0.921906 O\n0.084766 0.345202 0.078093 O\n0.084766 0.345202 0.421907 O\n0.464547 0.880729 0.250000 O\n0.850019 0.330602 0.250000 O\n0.260436 0.915234 0.421907 O\n0.654797 0.739563 0.421907 O\n0.739563 0.084766 0.921906 O\n0.149980 0.669398 0.750000 O\n0.535452 0.119271 0.750000 O\n0.915233 0.654797 0.578093 O\n0.915233 0.654797 0.921906 O\n0.654797 0.739563 0.078093 O\n0.519417 0.850019 0.750000 O\n0.880729 0.416181 0.750000 O\n0.669397 0.519417 0.250000 O\n0.416182 0.535452 0.250000 O\n0.739563 0.084766 0.578093 O\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n",
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"structure_string": "Sr10 P6 S1 O24\n1.0\n4.928442 -8.536311 -0.000000\n4.928442 8.536311 0.000000\n-0.000000 0.000000 7.234360\nSr P S O\n10 6 1 24\ndirect\n0.243536 0.985941 0.742321 Sr\n0.014059 0.257596 0.742321 Sr\n0.742404 0.756464 0.742321 Sr\n0.985941 0.742404 0.257679 Sr\n0.756464 0.014059 0.257679 Sr\n0.257596 0.243536 0.257679 Sr\n0.333333 0.666667 0.481017 Sr\n0.666667 0.333333 0.518983 Sr\n0.333333 0.666667 0.978880 Sr\n0.666667 0.333333 0.021120 Sr\n0.601314 0.630342 0.247257 P\n0.029028 0.398685 0.247257 P\n0.630342 0.029028 0.752743 P\n0.970971 0.601314 0.752743 P\n0.398685 0.369657 0.752743 P\n0.369657 0.970972 0.247257 P\n0.000000 0.000000 0.500000 S\n0.577702 0.465198 0.794611 O\n0.520119 0.848947 0.738755 O\n0.689542 0.754849 0.094363 O\n0.151052 0.671172 0.738755 O\n0.479880 0.151052 0.261245 O\n0.671172 0.520119 0.261245 O\n0.848947 0.328828 0.261245 O\n0.422297 0.534801 0.205389 O\n0.465198 0.887496 0.205389 O\n0.887496 0.422297 0.794611 O\n0.534801 0.112504 0.794611 O\n0.900308 0.618584 0.568695 O\n0.934693 0.689542 0.905637 O\n0.310458 0.245151 0.905637 O\n0.754849 0.065307 0.905637 O\n0.099692 0.381416 0.431305 O\n0.618584 0.718276 0.431305 O\n0.281724 0.900308 0.431305 O\n0.112504 0.577702 0.205389 O\n0.381416 0.281724 0.568695 O\n0.718276 0.099692 0.568695 O\n0.328828 0.479880 0.738755 O\n0.065307 0.310458 0.094363 O\n0.245151 0.934693 0.094363 O\n",
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{
"id": "jvasp-122041",
"created_at": "2022-09-04T14:38:54.916350Z",
"updated_at": "2022-09-04T14:38:54.916371Z",
"structure_string": "Sr10 Pb6 F2\n1.0\n7.832722 -0.020163 -6.296613\n-1.810727 7.620578 -6.296613\n0.015976 0.020163 10.049807\nSr Pb F\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.311699 0.491340 0.500000 Sr\n0.811699 0.311699 0.820360 Sr\n0.491339 0.991340 0.179642 Sr\n0.688301 0.508661 0.500001 Sr\n0.991339 0.811699 0.500001 Sr\n0.188301 0.688302 0.179641 Sr\n0.508661 0.008660 0.820360 Sr\n0.000000 0.000000 0.000000 Sr\n0.008661 0.188301 0.500000 Sr\n0.250000 0.250000 0.000000 Pb\n0.750000 0.750001 0.000001 Pb\n0.871713 0.371713 0.243427 Pb\n0.128287 0.628287 0.756576 Pb\n0.371713 0.128287 0.500000 Pb\n0.628287 0.871713 0.500001 Pb\n0.250000 0.750000 0.500001 F\n0.750000 0.250000 0.500001 F\n",
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{
"id": "jvasp-20782",
"created_at": "2022-09-04T14:38:02.897906Z",
"updated_at": "2022-09-04T14:38:02.897932Z",
"structure_string": "Sr10 Sb6\n1.0\n4.771918 -8.265205 0.000000\n4.771918 8.265205 -0.000000\n-0.000000 0.000000 7.366246\nSr Sb\n10 6\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 Sr\n0.000000 0.253322 0.250000 Sr\n0.746678 0.000000 0.750000 Sr\n0.253322 0.253322 0.750000 Sr\n0.746678 0.746678 0.250000 Sr\n0.253322 0.000000 0.250000 Sr\n0.000000 0.746678 0.750000 Sr\n0.000000 0.610284 0.250000 Sb\n0.389716 0.000000 0.750000 Sb\n0.610284 0.610284 0.750000 Sb\n0.389716 0.389716 0.250000 Sb\n0.610284 0.000000 0.250000 Sb\n0.000000 0.389716 0.750000 Sb\n",
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"structure_string": "Sr10 Si6\n1.0\n7.334541 -0.000000 -3.329671\n-1.511575 7.177091 -3.329671\n-0.009177 -0.011312 9.722820\nSr Si\n10 6\ndirect\n0.178459 0.037358 0.715816 Sr\n0.037357 0.537357 0.715817 Sr\n0.678459 0.178459 0.715816 Sr\n0.962643 0.462643 0.284184 Sr\n0.537357 0.678459 0.715817 Sr\n0.821541 0.962643 0.284184 Sr\n0.462643 0.321541 0.284184 Sr\n0.321541 0.821541 0.284184 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.608633 0.108633 0.000000 Si\n0.891368 0.608633 0.000000 Si\n0.108633 0.391367 0.000000 Si\n0.391368 0.891367 0.000000 Si\n0.750000 0.750000 0.500000 Si\n0.250000 0.250000 0.500000 Si\n",
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"structure_string": "Sr10 Sn4 As12\n1.0\n4.295550 0.000000 0.000000\n0.000000 12.558507 -0.000000\n0.000000 0.000000 14.119599\nSr Sn As\n10 4 12\ndirect\n0.000000 0.121598 0.755709 Sr\n0.000000 0.878402 0.244291 Sr\n0.000000 0.378402 0.255709 Sr\n0.000000 0.621598 0.744291 Sr\n0.000000 0.368003 0.931403 Sr\n0.000000 0.631998 0.068597 Sr\n0.000000 0.131997 0.431403 Sr\n0.000000 0.868003 0.568597 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.787193 0.894883 Sn\n0.500000 0.212807 0.105117 Sn\n0.500000 0.287193 0.605117 Sn\n0.500000 0.712807 0.394883 Sn\n0.000000 0.129264 0.198197 As\n0.500000 0.075660 0.599157 As\n0.500000 0.924340 0.400843 As\n0.500000 0.424340 0.099157 As\n0.500000 0.575660 0.900843 As\n0.500000 0.168564 0.920135 As\n0.500000 0.831436 0.079865 As\n0.500000 0.331436 0.420135 As\n0.500000 0.668565 0.579865 As\n0.000000 0.370736 0.698197 As\n0.000000 0.629264 0.301803 As\n0.000000 0.870736 0.801803 As\n",
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"structure_string": "Sr10 Sn4 P12\n1.0\n4.164019 0.000000 0.000000\n0.000000 12.236342 0.000000\n0.000000 -0.000000 13.871363\nSr Sn P\n10 4 12\ndirect\n0.000000 0.628185 0.069639 Sr\n0.000000 0.619598 0.741564 Sr\n0.000000 0.128186 0.430361 Sr\n0.000000 0.871814 0.569639 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.880401 0.241564 Sr\n0.000000 0.119598 0.758436 Sr\n0.000000 0.380402 0.258436 Sr\n0.000000 0.371814 0.930361 Sr\n0.500000 0.714436 0.395732 Sn\n0.500000 0.785564 0.895732 Sn\n0.500000 0.285564 0.604268 Sn\n0.500000 0.214436 0.104268 Sn\n0.000000 0.367155 0.695202 P\n0.000000 0.632844 0.304797 P\n0.500000 0.078133 0.602750 P\n0.500000 0.421867 0.102751 P\n0.500000 0.578133 0.897249 P\n0.500000 0.670141 0.576667 P\n0.500000 0.329859 0.423333 P\n0.500000 0.170141 0.923333 P\n0.500000 0.829859 0.076667 P\n0.500000 0.921867 0.397249 P\n0.000000 0.867155 0.804797 P\n0.000000 0.132844 0.195203 P\n",
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{
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"structure_string": "Sr10 V4 N12\n1.0\n6.046044 0.008323 -1.039587\n-3.562041 5.503886 -0.000000\n-0.027232 -0.017624 13.677407\nSr V N\n10 4 12\ndirect\n0.137889 0.809617 0.997993 Sr\n0.862112 0.671728 0.502007 Sr\n0.862111 0.190384 0.002007 Sr\n0.137889 0.328273 0.497993 Sr\n0.315672 0.068737 0.718027 Sr\n0.684329 0.753064 0.781973 Sr\n0.684328 0.931264 0.281973 Sr\n0.315672 0.246937 0.218027 Sr\n0.000001 0.381839 0.750000 Sr\n0.000001 0.618162 0.250000 Sr\n0.551085 0.639772 0.073789 V\n0.448915 0.088687 0.426210 V\n0.551086 0.911314 0.573790 V\n0.448915 0.360229 0.926211 V\n0.452840 0.790287 0.433949 N\n0.881293 0.991605 0.628374 N\n0.118708 0.110312 0.871627 N\n0.118707 0.008396 0.371626 N\n0.881293 0.889689 0.128373 N\n0.298992 0.697113 0.641763 N\n0.701009 0.398122 0.858237 N\n0.701008 0.302888 0.358237 N\n0.298992 0.601879 0.141763 N\n0.547161 0.209714 0.566051 N\n0.452840 0.662555 0.933949 N\n0.547161 0.337446 0.066051 N\n",
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{
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"structure_string": "Sr1\n1.0\n3.642822 0.000000 2.103184\n1.214274 3.434485 2.103184\n0.000000 0.000000 4.206369\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
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},
{
"id": "jvasp-25367",
"created_at": "2022-09-04T14:38:20.709774Z",
"updated_at": "2022-09-04T14:38:20.709793Z",
"structure_string": "Sr1\n1.0\n3.830280 -0.000000 -1.354209\n-1.915139 3.317120 -1.354209\n0.000000 0.000000 4.062626\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.818732072739695,
"density_atomic": 0.019373203963285925,
"volume": 51.617688116797595,
"volume_molar": 31.084898354513445,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy_above_hull": 0.0018699999999999,
"spacegroup": 229
}
]
}