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{
"id": "jvasp-109503",
"created_at": "2022-09-04T14:38:27.602416Z",
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"structure_string": "Ba3 Na1\n1.0\n5.401072 -0.042741 -5.422711\n-0.951327 5.316802 -5.422711\n0.036061 0.042741 7.653501\nBa Na\n3 1\ndirect\n0.749999 0.250000 0.500000 Ba\n0.249999 0.750000 0.499999 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Na\n",
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{
"id": "jvasp-109002",
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"structure_string": "Rb2 Tl2 Br6\n1.0\n7.096402 -0.000000 4.097110\n2.365467 6.690552 4.097110\n-0.000000 -0.000000 8.194219\nRb Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757632 0.242368 0.242368 Br\n0.242368 0.242368 0.757632 Br\n0.242369 0.757632 0.757632 Br\n0.242369 0.757632 0.242368 Br\n0.757632 0.242368 0.757632 Br\n0.757632 0.757632 0.242368 Br\n",
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{
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"structure_string": "Mg2 Ga1 Pd1\n1.0\n3.973872 -0.000000 2.294316\n1.324624 3.746603 2.294316\n-0.000000 -0.000000 4.588633\nMg Ga Pd\n2 1 1\ndirect\n0.749999 0.749999 0.750002 Mg\n0.250000 0.250000 0.250001 Mg\n0.499999 0.500000 0.500001 Ga\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-37800",
"created_at": "2022-09-04T14:38:15.835030Z",
"updated_at": "2022-09-04T14:38:15.835048Z",
"structure_string": "Rb3 Pm1\n1.0\n0.000000 5.026775 5.026775\n5.026775 -0.000000 5.026775\n5.026775 5.026775 0.000000\nRb Pm\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Pm\n",
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},
{
"id": "jvasp-25664",
"created_at": "2022-09-04T14:38:15.485879Z",
"updated_at": "2022-09-04T14:38:15.485903Z",
"structure_string": "Sr4 Cu2 F12\n1.0\n5.450174 -0.000000 -1.891621\n-0.000000 5.764685 -0.000000\n-0.021323 0.000000 8.735948\nSr Cu F\n4 2 12\ndirect\n0.661764 0.500000 0.323528 Sr\n0.161764 0.000000 0.323528 Sr\n0.838236 0.000000 0.676472 Sr\n0.338236 0.500000 0.676472 Sr\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.414156 0.167538 0.162561 F\n0.492733 0.250000 0.500000 F\n0.585843 0.832463 0.837439 F\n0.748404 0.832463 0.162561 F\n0.085844 0.667538 0.837439 F\n0.507266 0.750001 0.500000 F\n0.248404 0.667538 0.162561 F\n0.251596 0.167538 0.837439 F\n0.992733 0.250000 0.500000 F\n0.751595 0.332463 0.837439 F\n0.007267 0.750001 0.500000 F\n0.914156 0.332463 0.162561 F\n",
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"density": 4.272191600107349,
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{
"id": "jvasp-108976",
"created_at": "2022-09-04T14:38:11.165016Z",
"updated_at": "2022-09-04T14:38:11.165044Z",
"structure_string": "K3 Ir1 F6\n1.0\n5.460195 -0.000000 3.152445\n1.820065 5.147921 3.152445\n-0.000000 -0.000000 6.304890\nK Ir F\n3 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ir\n0.772752 0.227249 0.227250 F\n0.227250 0.227249 0.772751 F\n0.227250 0.772750 0.772751 F\n0.227250 0.772750 0.227250 F\n0.772752 0.227249 0.772751 F\n0.772752 0.772750 0.227250 F\n",
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"formula_full": "K3 Ir1 F6",
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{
"id": "jvasp-23033",
"created_at": "2022-09-04T14:38:27.380562Z",
"updated_at": "2022-09-04T14:38:27.380575Z",
"structure_string": "Ba4 Ca4 Al4 F28\n1.0\n0.000000 5.378496 0.008176\n5.397450 0.000000 0.000000\n0.000000 -4.613393 -18.964103\nBa Ca Al F\n4 4 4 28\ndirect\n0.681470 0.761428 0.432515 Ba\n0.318531 0.761428 0.067484 Ba\n0.318531 0.238572 0.567484 Ba\n0.681470 0.238572 0.932515 Ba\n0.500000 0.321299 0.250000 Ca\n0.000000 0.794462 0.250000 Ca\n0.500001 0.678701 0.750000 Ca\n0.000000 0.205538 0.750000 Ca\n0.181513 0.774031 0.880525 Al\n0.818488 0.774031 0.619474 Al\n0.818488 0.225969 0.119474 Al\n0.181513 0.225969 0.380525 Al\n0.882465 0.138804 0.318754 F\n0.964304 0.407067 0.063681 F\n0.117536 0.861195 0.681245 F\n0.882465 0.861195 0.818754 F\n0.117536 0.138804 0.181245 F\n0.724617 0.361716 0.807698 F\n0.760772 0.486472 0.173693 F\n0.760772 0.513528 0.673693 F\n0.239229 0.513528 0.826306 F\n0.275384 0.361716 0.692301 F\n0.035697 0.407067 0.436319 F\n0.239229 0.486472 0.326306 F\n0.035697 0.592933 0.936319 F\n0.657399 0.969966 0.675771 F\n0.501744 0.718885 0.560350 F\n0.498257 0.718885 0.939649 F\n0.498257 0.281115 0.439649 F\n0.501744 0.281115 0.060350 F\n0.724617 0.638284 0.307698 F\n0.342602 0.969966 0.824229 F\n0.342602 0.030034 0.324229 F\n0.657399 0.030034 0.175771 F\n0.160624 0.951128 0.434260 F\n0.839377 0.951128 0.065740 F\n0.839377 0.048872 0.565740 F\n0.160624 0.048872 0.934260 F\n0.964304 0.592933 0.563681 F\n0.275384 0.638284 0.192301 F\n",
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],
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"volume": 550.3274187365467,
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"formula_full": "Ba4 Ca4 Al4 F28",
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"spacegroup": 13
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{
"id": "jvasp-109092",
"created_at": "2022-09-04T14:38:15.934748Z",
"updated_at": "2022-09-04T14:38:15.934773Z",
"structure_string": "Yb3 Pr1\n1.0\n5.086688 -0.000000 2.936801\n1.695563 4.795776 2.936801\n-0.000000 -0.000000 5.873602\nYb Pr\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Pr\n",
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},
{
"id": "jvasp-36932",
"created_at": "2022-09-04T14:38:08.204637Z",
"updated_at": "2022-09-04T14:38:08.204654Z",
"structure_string": "Mg2 Ag2 F6\n1.0\n-4.839841 -0.000000 2.761490\n-3.207739 4.556348 0.000000\n-4.811628 0.019862 -2.811010\nMg Ag F\n2 2 6\ndirect\n0.005706 0.005705 0.982883 Mg\n0.505706 0.505706 0.482883 Mg\n0.255699 0.255699 0.232902 Ag\n0.755699 0.755699 0.732902 Ag\n0.692649 0.818747 0.232905 F\n0.255698 0.692649 0.232905 F\n0.818747 0.255698 0.232905 F\n0.755699 0.318747 0.732905 F\n0.318747 0.192648 0.732905 F\n0.192649 0.755698 0.732905 F\n",
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{
"id": "jvasp-109448",
"created_at": "2022-09-04T14:38:27.508485Z",
"updated_at": "2022-09-04T14:38:27.508497Z",
"structure_string": "K2 Tl1 Cu1 Cl6\n1.0\n6.252195 -0.000000 3.609706\n2.084065 5.894626 3.609706\n-0.000000 -0.000000 7.219413\nK Tl Cu Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500001 Cu\n0.737128 0.262871 0.262872 Cl\n0.262870 0.262871 0.737129 Cl\n0.262870 0.737130 0.737130 Cl\n0.262870 0.737130 0.262872 Cl\n0.737128 0.262871 0.737130 Cl\n0.737128 0.737130 0.262872 Cl\n",
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{
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"created_at": "2022-09-04T14:38:28.676340Z",
"updated_at": "2022-09-04T14:38:28.676358Z",
"structure_string": "Mg1 In1 Br1\n1.0\n5.519135 0.000000 -0.000000\n-2.759568 4.779711 0.000000\n-0.000000 0.000000 3.370062\nMg In Br\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Mg\n0.333334 0.666666 0.000000 In\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:15.505511Z",
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}