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{
"id": "jvasp-94366",
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"updated_at": "2022-09-04T14:36:14.968194Z",
"structure_string": "Sr4 Mg2\n1.0\n4.140224 -0.000000 -0.000000\n-2.070111 3.585538 -0.000000\n-0.000000 -0.000000 17.827854\nSr Mg\n4 2\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.804718 Sr\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.195282 Sr\n0.333333 0.666667 0.652701 Mg\n0.333333 0.666667 0.347299 Mg\n",
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{
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{
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"structure_string": "Sr4 Mg2\n1.0\n4.145157 -0.000000 0.000000\n-2.072578 3.589810 -0.000000\n-0.000000 0.000000 17.812764\nSr Mg\n4 2\ndirect\n0.333333 0.666667 0.901992 Sr\n0.333333 0.666667 0.598007 Sr\n0.666667 0.333333 0.401992 Sr\n0.666667 0.333333 0.098007 Sr\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
"nsites": 6,
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"formula_full": "Sr4 Mg2",
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"spacegroup": 194
},
{
"id": "jvasp-95607",
"created_at": "2022-09-04T14:36:30.516848Z",
"updated_at": "2022-09-04T14:36:30.516867Z",
"structure_string": "Sr4 Mg6 H20\n1.0\n8.187235 2.846419 -3.189686\n-8.187235 2.846419 3.189686\n-0.002008 0.000000 7.424436\nSr Mg H\n4 6 20\ndirect\n0.719947 0.280053 0.315103 Sr\n0.280053 0.719947 0.684897 Sr\n0.615817 0.384183 0.720745 Sr\n0.384183 0.615817 0.279256 Sr\n0.257495 0.257495 -0.000000 Mg\n0.175158 0.824842 0.020568 Mg\n0.742506 0.742506 0.000000 Mg\n0.075217 0.924784 0.448279 Mg\n0.924784 0.075217 0.551722 Mg\n0.824842 0.175158 0.979433 Mg\n0.864724 0.135276 0.256820 H\n0.768408 0.768408 0.500000 H\n0.231592 0.231592 0.500000 H\n0.515228 0.484773 0.189626 H\n0.484772 0.515228 0.810374 H\n0.238213 0.761788 0.289431 H\n0.761787 0.238213 0.710570 H\n0.135276 0.864724 0.743180 H\n0.020582 0.979418 0.178051 H\n0.091171 0.397630 0.518379 H\n0.397630 0.091172 0.481621 H\n0.908829 0.602370 0.481621 H\n0.602370 0.908829 0.518379 H\n0.000000 0.500000 0.000000 H\n0.384723 0.157476 0.029282 H\n0.842524 0.615277 0.029282 H\n0.615277 0.842525 0.970718 H\n0.157476 0.384723 0.970718 H\n0.979418 0.020583 0.821949 H\n0.500000 0.000000 -0.000000 H\n",
"nsites": 30,
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"elements": [
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"chemical_system": "H-Mg-Sr",
"density": 2.4786168752425604,
"density_atomic": 0.08670366758638876,
"volume": 346.00612448266924,
"volume_molar": 6.945658618189055,
"formula_full": "Sr4 Mg6 H20",
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"formula_anonymous": "A2B3C10",
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"spacegroup": 12
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{
"id": "jvasp-109147",
"created_at": "2022-09-04T14:38:26.868011Z",
"updated_at": "2022-09-04T14:38:26.868042Z",
"structure_string": "Sr2 Mg3 In5\n1.0\n4.681353 -0.000000 0.000000\n0.000000 4.681353 0.000000\n0.000000 0.000000 12.797767\nSr Mg In\n2 3 5\ndirect\n0.500000 0.000000 0.750193 Sr\n-0.000000 0.500000 0.249807 Sr\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.142004 In\n-0.000000 0.500000 0.635875 In\n-0.000000 0.500000 0.857996 In\n0.500000 0.000000 0.364125 In\n0.500000 0.500000 -0.000000 In\n",
"nsites": 10,
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"chemical_system": "In-Mg-Sr",
"density": 4.868255448248284,
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"volume": 280.4639073136168,
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"formula_full": "Sr2 Mg3 In5",
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"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-11130",
"created_at": "2022-09-04T14:36:49.139881Z",
"updated_at": "2022-09-04T14:36:49.139901Z",
"structure_string": "Sr2 Mg1 B2 O6\n1.0\n5.178961 0.000000 0.000000\n-2.589481 3.989590 -2.181231\n0.000000 -0.014219 6.104801\nSr Mg B O\n2 1 2 6\ndirect\n0.709469 0.418939 0.182374 Sr\n0.290531 0.581061 0.817626 Sr\n0.500000 -0.000000 0.500000 Mg\n0.936875 0.873750 0.737063 B\n0.063125 0.126250 0.262937 B\n0.767771 0.535542 0.664023 O\n0.207495 0.952969 0.231241 O\n0.254526 0.047031 0.768759 O\n0.792505 0.047031 0.768759 O\n0.745474 0.952969 0.231241 O\n0.232229 0.464457 0.335977 O\n",
"nsites": 11,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Mg-O-Sr",
"density": 4.180643490869196,
"density_atomic": 0.08731797532723433,
"volume": 125.97635204866137,
"volume_molar": 6.8967938588032105,
"formula_full": "Sr2 Mg1 B2 O6",
"formula_reduced": "Sr2Mg(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.0801907124242422,
"spacegroup": 12
},
{
"id": "jvasp-80232",
"created_at": "2022-09-04T14:37:15.189832Z",
"updated_at": "2022-09-04T14:37:15.189847Z",
"structure_string": "Sr2 Mg1 Cd1\n1.0\n-16.637530 0.000813 -9.604352\n-9.724919 -0.482094 -2.366942\n-8.560116 2.812468 -4.384441\nSr Mg Cd\n2 1 1\ndirect\n0.667660 0.000010 0.000009 Sr\n0.332340 -0.000009 -0.000010 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.312465003289092,
"density_atomic": 0.025578133479432257,
"volume": 156.38357674599115,
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"formula_full": "Sr2 Mg1 Cd1",
"formula_reduced": "Sr2MgCd",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-22682",
"created_at": "2022-09-04T14:36:19.501539Z",
"updated_at": "2022-09-04T14:36:19.501574Z",
"structure_string": "Sr2 Mg1 H6\n1.0\n5.474434 -0.000009 -0.000007\n-2.737225 4.740995 0.000004\n-0.000007 -0.000000 4.189851\nSr Mg H\n2 1 6\ndirect\n0.666664 0.333332 0.263827 Sr\n0.333333 0.666666 0.736171 Sr\n0.000000 0.000000 0.000000 Mg\n0.823226 0.646457 0.763586 H\n0.823225 0.176768 0.763586 H\n0.353539 0.176770 0.763584 H\n0.176771 0.353541 0.236412 H\n0.176772 0.823231 0.236412 H\n0.646458 0.823229 0.236414 H\n",
"nsites": 9,
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"elements": [
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],
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"density": 3.139422544305918,
"density_atomic": 0.08276288502406987,
"volume": 108.74439668678221,
"volume_molar": 7.276378485656446,
"formula_full": "Sr2 Mg1 H6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 164
},
{
"id": "jvasp-101018",
"created_at": "2022-09-04T14:36:42.736308Z",
"updated_at": "2022-09-04T14:36:42.736327Z",
"structure_string": "Sr2 Mg1 In1\n1.0\n4.988917 -0.000000 2.880352\n1.662972 4.703596 2.880352\n-0.000000 -0.000000 5.760705\nSr Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Sr\n0.750000 0.750001 0.749998 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
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"elements": [
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"formula_full": "Sr2 Mg1 In1",
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},
{
"id": "jvasp-22264",
"created_at": "2022-09-04T14:37:40.206279Z",
"updated_at": "2022-09-04T14:37:40.206299Z",
"structure_string": "Sr2 Mg1 Ir1 O6\n1.0\n4.852852 -0.000000 2.801796\n1.617617 4.575313 2.801796\n-0.000000 -0.000000 5.603591\nSr Mg Ir O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750001 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 Ir\n0.254978 0.745021 0.745022 O\n0.254978 0.745021 0.254979 O\n0.745022 0.254978 0.745023 O\n0.254978 0.254978 0.745022 O\n0.745022 0.254978 0.254979 O\n0.745022 0.745021 0.254979 O\n",
"nsites": 10,
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"elements": [
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"formula_full": "Sr2 Mg1 Ir1 O6",
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"spacegroup": 225
},
{
"id": "jvasp-106664",
"created_at": "2022-09-04T14:36:48.090680Z",
"updated_at": "2022-09-04T14:36:48.090699Z",
"structure_string": "Sr2 Mg1 Mo1 O6\n1.0\n4.853303 -0.000000 2.802056\n1.617768 4.575738 2.802056\n0.000000 -0.000000 5.604112\nSr Mg Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Mo\n0.757613 0.242386 0.242387 O\n0.242386 0.757614 0.757614 O\n0.242386 0.757614 0.242387 O\n0.757613 0.242386 0.757614 O\n0.242386 0.242386 0.757614 O\n0.757614 0.757614 0.242387 O\n",
"nsites": 10,
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],
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"density": 5.223419050596086,
"density_atomic": 0.08035162023540778,
"volume": 124.45299759610069,
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"formula_full": "Sr2 Mg1 Mo1 O6",
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},
{
"id": "jvasp-21719",
"created_at": "2022-09-04T14:38:34.004320Z",
"updated_at": "2022-09-04T14:38:34.004344Z",
"structure_string": "Sr2 Mg1 Re1 O6\n1.0\n4.867145 -0.000000 -2.799408\n-1.610119 4.593106 -2.799408\n-0.009283 -0.013091 5.614655\nSr Mg Re O\n2 1 1 6\ndirect\n0.250001 0.750001 0.500001 Sr\n0.750001 0.250000 0.500001 Sr\n0.500001 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Re\n0.756609 0.756609 0.000000 O\n0.243392 0.756609 0.000000 O\n0.756609 0.243392 0.000000 O\n0.243392 0.243392 0.000000 O\n0.243398 0.243398 0.486796 O\n0.756604 0.756603 0.513206 O\n",
"nsites": 10,
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],
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"density": 6.3914826829943685,
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"volume": 125.16063613854091,
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"formula_full": "Sr2 Mg1 Re1 O6",
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}