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{
"id": "jvasp-69071",
"created_at": "2022-09-04T14:36:11.740855Z",
"updated_at": "2022-09-04T14:36:11.740880Z",
"structure_string": "Ba1 In1 Br2\n1.0\n4.180430 0.000000 0.000000\n0.000000 4.180430 0.000000\n0.000000 -0.000000 7.604408\nBa In Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.729464 Br\n0.000000 0.000000 0.270536 Br\n",
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{
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"structure_string": "Na2 Li2 Yb4 F16\n1.0\n6.619872 0.069623 0.000693\n-1.442089 6.461263 -0.000693\n0.000624 -0.000494 6.965465\nYb Na Li F\n4 2 2 16\ndirect\n0.451923 0.076763 0.749975 Yb\n0.548076 0.923237 0.250024 Yb\n0.076762 0.451923 0.750024 Yb\n0.923237 0.548076 0.249975 Yb\n0.335603 0.335603 0.250000 Na\n0.664396 0.664397 0.750000 Na\n0.000000 0.000000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.321687 0.741289 0.749388 F\n0.676150 0.947909 0.552480 F\n0.908945 0.908945 0.250000 F\n0.323849 0.052091 0.447520 F\n0.947613 0.675878 0.552467 F\n0.258711 0.678312 0.249388 F\n0.947908 0.676151 0.947519 F\n0.675877 0.947614 0.947532 F\n0.678312 0.258711 0.250611 F\n0.741288 0.321688 0.750611 F\n0.052091 0.323849 0.052480 F\n0.324122 0.052386 0.052467 F\n0.603043 0.603044 0.250000 F\n0.396956 0.396956 0.750000 F\n0.052386 0.324122 0.447533 F\n0.091054 0.091055 0.750000 F\n",
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"formula_full": "Na2 Li2 Yb4 F16",
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{
"id": "jvasp-3975",
"created_at": "2022-09-04T14:36:38.749640Z",
"updated_at": "2022-09-04T14:36:38.749662Z",
"structure_string": "Rb2 Li2 Br4\n1.0\n4.164243 0.000000 -1.201901\n0.000000 7.542522 0.000000\n0.012378 0.000000 7.857788\nRb Li Br\n2 2 4\ndirect\n0.627272 0.750000 0.254543 Rb\n0.372729 0.250000 0.745457 Rb\n0.892279 0.750000 0.784558 Li\n0.107721 0.250000 0.215442 Li\n0.304414 0.750000 0.608827 Br\n0.695585 0.250000 0.391173 Br\n0.000000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.03239959785921514,
"volume": 246.91664491522783,
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"formula_full": "Rb2 Li2 Br4",
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"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-94896",
"created_at": "2022-09-04T14:36:19.576199Z",
"updated_at": "2022-09-04T14:36:19.576225Z",
"structure_string": "Ca1 Cd2 Au4\n1.0\n-0.000000 0.000000 -5.596504\n-3.601473 3.601473 -2.798252\n3.601473 3.601473 -2.798252\nCa Cd Au\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.500000 0.500000 Cd\n0.749999 0.500000 0.500000 Cd\n0.697226 0.000000 0.605547 Au\n0.302774 0.000000 0.394452 Au\n0.697226 0.605547 0.000000 Au\n0.302774 0.394452 0.000000 Au\n",
"nsites": 7,
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"elements": [
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"density_atomic": 0.048215969013113064,
"volume": 145.18011653143887,
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"formula_full": "Ca1 Cd2 Au4",
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},
{
"id": "jvasp-69019",
"created_at": "2022-09-04T14:36:09.374016Z",
"updated_at": "2022-09-04T14:36:09.374043Z",
"structure_string": "Ba2 Sn1 Te1\n1.0\n-0.000000 4.253634 4.253634\n4.253634 -0.000000 4.253634\n4.253634 4.253634 -0.000000\nBa Sn Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
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"elements": [
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"density": 5.620131264296862,
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{
"id": "jvasp-74384",
"created_at": "2022-09-04T14:36:15.079271Z",
"updated_at": "2022-09-04T14:36:15.079297Z",
"structure_string": "K2 Be1 Tl1\n1.0\n-2.747954 2.747954 3.881617\n2.747954 -2.747954 3.881617\n2.747954 2.747954 -3.881617\nK Be Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
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{
"id": "jvasp-65592",
"created_at": "2022-09-04T14:36:15.076474Z",
"updated_at": "2022-09-04T14:36:15.076493Z",
"structure_string": "Ba2 Ga1 Pb1\n1.0\n-0.000000 4.198947 4.198947\n4.198947 0.000000 4.198947\n4.198947 4.198947 -0.000000\nBa Ga Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Pb\n",
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"density": 6.185916756822807,
"density_atomic": 0.027015239179373537,
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{
"id": "jvasp-105944",
"created_at": "2022-09-04T14:36:08.944077Z",
"updated_at": "2022-09-04T14:36:08.944098Z",
"structure_string": "K1 In2 Ga2\n1.0\n4.454075 0.010803 -5.085820\n-0.621617 4.410499 -5.085820\n-0.009364 -0.010803 6.760493\nK In Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.250000 0.500001 In\n0.250000 0.750000 0.500000 In\n0.390996 0.390996 0.000000 Ga\n0.609004 0.609004 0.000000 Ga\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Ga-In-K",
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"volume": 132.36481200926806,
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"formula_full": "K1 In2 Ga2",
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"spacegroup": 139
},
{
"id": "jvasp-100882",
"created_at": "2022-09-04T14:36:38.732524Z",
"updated_at": "2022-09-04T14:36:38.732548Z",
"structure_string": "K2 Tl1 Sb1 Br6\n1.0\n7.173564 -0.000000 4.141659\n2.391188 6.763301 4.141659\n-0.000000 -0.000000 8.283318\nK Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761006 0.238993 0.238994 Br\n0.238993 0.238993 0.761007 Br\n0.238994 0.761006 0.761007 Br\n0.238994 0.761006 0.238994 Br\n0.761006 0.238993 0.761007 Br\n0.761006 0.761006 0.238994 Br\n",
"nsites": 10,
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{
"id": "jvasp-87141",
"created_at": "2022-09-04T14:36:19.629719Z",
"updated_at": "2022-09-04T14:36:19.629746Z",
"structure_string": "Rb2 Cd26\n1.0\n8.603444 0.000000 4.967201\n2.867814 8.111404 4.967201\n-0.000000 -0.000000 9.934401\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.802125 0.197874 0.557916 Cd\n0.557915 0.442084 0.802126 Cd\n0.442084 0.557915 0.197874 Cd\n0.302126 0.057915 0.697874 Cd\n0.057915 0.697874 0.302126 Cd\n0.697874 0.302126 0.057916 Cd\n0.302126 0.697874 0.942085 Cd\n0.302125 0.942084 0.057916 Cd\n0.942084 0.697874 0.057916 Cd\n0.197874 0.557915 0.802126 Cd\n0.197874 0.442084 0.557916 Cd\n0.442084 0.802126 0.557916 Cd\n0.557915 0.802126 0.197874 Cd\n0.802125 0.557915 0.442085 Cd\n0.557915 0.197874 0.442085 Cd\n0.802125 0.442084 0.197874 Cd\n0.442084 0.197874 0.802126 Cd\n0.942084 0.057915 0.302126 Cd\n0.057915 0.942084 0.697874 Cd\n0.057915 0.302126 0.942085 Cd\n0.697873 0.942084 0.302126 Cd\n0.942084 0.302126 0.697874 Cd\n0.697874 0.057915 0.942085 Cd\n0.197874 0.802126 0.442085 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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},
{
"id": "jvasp-95642",
"created_at": "2022-09-04T14:36:36.490503Z",
"updated_at": "2022-09-04T14:36:36.490530Z",
"structure_string": "Au6 F18\n1.0\n5.091081 -0.000000 0.000000\n-2.545540 4.409005 -0.000000\n0.000000 -0.000000 16.631063\nAu F\n6 18\ndirect\n0.241530 0.483061 0.250000 Au\n0.483061 0.241530 0.083333 Au\n0.516939 0.758471 0.583333 Au\n0.241530 0.758471 0.916667 Au\n0.758470 0.516940 0.750000 Au\n0.758470 0.241530 0.416667 Au\n0.472096 0.682166 0.995512 F\n0.527904 0.210070 0.671155 F\n0.682165 0.472096 0.337822 F\n0.317835 0.527905 0.837822 F\n0.472096 0.789931 0.171155 F\n0.789930 0.317835 0.004488 F\n0.789931 0.472096 0.162178 F\n0.000000 0.157422 0.333333 F\n0.000000 0.842579 0.833333 F\n0.157422 0.157422 0.166667 F\n0.157422 0.000000 0.000000 F\n0.210070 0.527905 0.662178 F\n0.210070 0.682166 0.504488 F\n0.317835 0.789931 0.328845 F\n0.682165 0.210070 0.828845 F\n0.527904 0.317835 0.495512 F\n0.842578 0.842579 0.666667 F\n0.842578 0.000000 0.500000 F\n",
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{
"id": "jvasp-100673",
"created_at": "2022-09-04T14:36:36.468878Z",
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"structure_string": "K2 Li1 Sb1 I6\n1.0\n7.219755 -0.000000 4.168327\n2.406585 6.806850 4.168327\n-0.000000 -0.000000 8.336655\nK Li Sb I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.745520 0.254480 0.254480 I\n0.254479 0.254480 0.745520 I\n0.254479 0.745520 0.745520 I\n0.254479 0.745520 0.254480 I\n0.745520 0.254480 0.745520 I\n0.745519 0.745520 0.254481 I\n",
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"formula_full": "K2 Li1 Sb1 I6",
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"formula_anonymous": "ABC2D6",
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}
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}