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{
"id": "jvasp-80762",
"created_at": "2022-09-04T14:37:06.066299Z",
"updated_at": "2022-09-04T14:37:06.066326Z",
"structure_string": "Mg2 Hg1 Pb1\n1.0\n-11.457151 2.480397 -2.564892\n-8.349989 1.444979 1.078537\n-7.328116 4.335425 -0.691569\nMg Hg Pb\n2 1 1\ndirect\n0.715038 0.029439 0.029443 Mg\n0.284962 -0.029439 -0.029441 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.000001 Pb\n",
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{
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"structure_string": "Hg8 Cl4 O4\n1.0\n6.027899 0.000000 0.000000\n-3.013949 5.842823 -1.610186\n0.000000 0.044483 9.652417\nHg Cl O\n8 4 4\ndirect\n0.143076 0.895503 0.603756 Hg\n0.247572 0.104496 0.896244 Hg\n0.856924 0.104496 0.396244 Hg\n0.752427 0.895503 0.103756 Hg\n0.592991 -0.000000 0.750000 Hg\n0.407009 -0.000000 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n0.487238 0.389666 0.145673 Cl\n0.097572 0.610334 0.354327 Cl\n0.512761 0.610333 0.854327 Cl\n0.902427 0.389665 0.645673 Cl\n0.254095 0.156910 0.439734 O\n0.097184 0.843089 0.060265 O\n0.745905 0.843089 0.560265 O\n0.902816 0.156910 0.939734 O\n",
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{
"id": "jvasp-103559",
"created_at": "2022-09-04T14:37:07.171450Z",
"updated_at": "2022-09-04T14:37:07.171478Z",
"structure_string": "Na2 Ag1 Rh1 F6\n1.0\n5.238118 -0.000000 3.024229\n1.746039 4.938545 3.024229\n-0.000000 -0.000000 6.048458\nNa Ag Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750001 0.750000 Na\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n0.233599 0.233599 0.766402 F\n0.233599 0.766402 0.766401 F\n0.766401 0.766402 0.233599 F\n0.233599 0.766402 0.233599 F\n0.766402 0.233599 0.766402 F\n0.766402 0.233599 0.233599 F\n",
"nsites": 10,
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"density_atomic": 0.0639117983167971,
"volume": 156.4656333159668,
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"formula_full": "Na2 Ag1 Rh1 F6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-78819",
"created_at": "2022-09-04T14:37:10.875590Z",
"updated_at": "2022-09-04T14:37:10.875611Z",
"structure_string": "K2 S1\n1.0\n-3.687257 -3.687257 0.000000\n-3.687257 -0.000000 -3.687257\n0.000000 -3.687257 -3.687257\nK S\n2 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750001 0.750001 K\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
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"elements": [
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"volume": 100.2628907673679,
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},
{
"id": "jvasp-42019",
"created_at": "2022-09-04T14:37:31.818430Z",
"updated_at": "2022-09-04T14:37:31.818455Z",
"structure_string": "Sr2 Li1 Tl1\n1.0\n0.000000 4.057947 4.057947\n4.057947 0.000000 4.057947\n4.057947 4.057947 0.000000\nSr Li Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Tl\n",
"nsites": 4,
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"volume": 133.64388967064127,
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{
"id": "jvasp-42115",
"created_at": "2022-09-04T14:37:31.834184Z",
"updated_at": "2022-09-04T14:37:31.834201Z",
"structure_string": "Pm1 Cd1 Hg2\n1.0\n0.000000 3.640336 3.640336\n3.640336 0.000000 3.640336\n3.640336 3.640336 -0.000000\nPm Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
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"volume": 96.4838016593245,
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{
"id": "jvasp-79525",
"created_at": "2022-09-04T14:37:18.772533Z",
"updated_at": "2022-09-04T14:37:18.772570Z",
"structure_string": "Na3 Cl1\n1.0\n3.511546 -0.000000 -0.000000\n0.000000 3.511546 0.000000\n-0.000000 -0.000000 9.398604\nNa Cl\n3 1\ndirect\n0.000000 0.000000 0.500000 Na\n0.500001 0.500001 0.821347 Na\n0.500001 0.500001 0.178652 Na\n0.000000 0.000000 0.000000 Cl\n",
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},
{
"id": "jvasp-1121",
"created_at": "2022-09-04T14:37:18.770395Z",
"updated_at": "2022-09-04T14:37:18.770426Z",
"structure_string": "Sr1 Se1\n1.0\n3.831517 0.000000 2.212128\n1.277172 3.612390 2.212128\n0.000000 0.000000 4.424256\nSr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 Se\n",
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},
{
"id": "jvasp-22539",
"created_at": "2022-09-04T14:37:18.746972Z",
"updated_at": "2022-09-04T14:37:18.747006Z",
"structure_string": "K2 Mg1 F4\n1.0\n3.814943 0.000000 -1.102900\n-0.318849 3.801594 -1.102900\n0.003864 0.004202 7.162778\nK Mg F\n2 1 4\ndirect\n0.648432 0.648432 0.296866 K\n0.351566 0.351566 0.703134 K\n0.000000 0.000000 0.000000 Mg\n-0.000000 0.499999 -0.000000 F\n0.500000 -0.000000 -0.000000 F\n0.846757 0.846758 0.693519 F\n0.153240 0.153241 0.306481 F\n",
"nsites": 7,
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"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-104502",
"created_at": "2022-09-04T14:37:06.272291Z",
"updated_at": "2022-09-04T14:37:06.272328Z",
"structure_string": "K2 Na1 Ce1 Cl6\n1.0\n6.588984 -0.000000 3.804151\n2.196328 6.212153 3.804151\n-0.000000 -0.000000 7.608303\nK Na Ce Cl\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 Na\n0.000000 0.000000 0.000000 Ce\n0.747227 0.252772 0.252773 Cl\n0.252773 0.252772 0.747227 Cl\n0.252773 0.747227 0.747227 Cl\n0.252773 0.747227 0.252772 Cl\n0.747227 0.252772 0.747227 Cl\n0.747227 0.747227 0.252772 Cl\n",
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"formula_full": "K2 Na1 Ce1 Cl6",
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{
"id": "jvasp-81118",
"created_at": "2022-09-04T14:37:18.738943Z",
"updated_at": "2022-09-04T14:37:18.738960Z",
"structure_string": "Ba2 Ga1 Hg1\n1.0\n-17.219116 -0.000000 -9.941462\n-10.003705 -0.483360 -2.555998\n-8.846416 2.789948 -4.560482\nBa Ga Hg\n2 1 1\ndirect\n0.838703 0.000001 0.000000 Ba\n0.161296 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000001 0.000000 Hg\n",
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{
"id": "jvasp-22527",
"created_at": "2022-09-04T14:37:18.728899Z",
"updated_at": "2022-09-04T14:37:18.728925Z",
"structure_string": "Sr1 Cl2\n1.0\n4.271915 0.000000 2.466390\n1.423972 4.027599 2.466390\n0.000000 0.000000 4.932782\nSr Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
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