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{
"id": "jvasp-110214",
"created_at": "2022-09-04T14:38:20.634495Z",
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"structure_string": "Mg4 Cd1 Ag5\n1.0\n3.317551 0.000000 0.000000\n0.000000 3.317551 0.000000\n0.000000 -0.000000 16.652277\nMg Cd Ag\n4 1 5\ndirect\n0.500000 0.500000 0.202974 Mg\n0.500000 0.500000 0.400959 Mg\n0.500000 0.500000 0.599041 Mg\n0.500000 0.500000 0.797026 Mg\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.893048 Ag\n0.000000 0.000000 0.106953 Ag\n0.000000 0.000000 0.301532 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.698468 Ag\n",
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{
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"structure_string": "Li1 Mg1 In2\n1.0\n4.318770 0.000000 2.493443\n1.439590 4.071776 2.493443\n0.000000 0.000000 4.986886\nLi Mg In\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 In\n0.750000 0.750001 0.749999 In\n",
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{
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"structure_string": "Ga3 Ag1\n1.0\n3.824421 -0.081849 -3.363045\n-0.835467 3.732946 -3.363045\n0.067005 0.081849 5.092325\nGa Ag\n3 1\ndirect\n0.750000 0.250000 0.500001 Ga\n0.250000 0.750001 0.500001 Ga\n0.500000 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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{
"id": "jvasp-109232",
"created_at": "2022-09-04T14:38:17.089497Z",
"updated_at": "2022-09-04T14:38:17.089514Z",
"structure_string": "K2 Rb1 In1 F6\n1.0\n5.717487 -0.000000 3.300993\n1.905829 5.390499 3.300993\n-0.000000 -0.000000 6.601986\nK Rb In F\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 Rb\n0.000000 0.000000 0.000000 In\n0.776376 0.223624 0.223624 F\n0.223625 0.223624 0.776376 F\n0.223625 0.776376 0.776375 F\n0.223625 0.776376 0.223624 F\n0.776376 0.223624 0.776375 F\n0.776376 0.776376 0.223624 F\n",
"nsites": 10,
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"elements": [
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"formula_full": "K2 Rb1 In1 F6",
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{
"id": "jvasp-80023",
"created_at": "2022-09-04T14:37:16.693565Z",
"updated_at": "2022-09-04T14:37:16.693586Z",
"structure_string": "Yb1 Mg1 Tl2\n1.0\n-0.000000 3.699686 3.699686\n3.699686 -0.000000 3.699686\n3.699686 3.699686 -0.000000\nYb Mg Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n",
"nsites": 4,
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{
"id": "jvasp-20222",
"created_at": "2022-09-04T14:37:46.851933Z",
"updated_at": "2022-09-04T14:37:46.851961Z",
"structure_string": "Ca1 Cu5\n1.0\n2.551505 -4.419335 0.000000\n2.551505 4.419335 -0.000000\n0.000000 0.000000 4.067150\nCa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.000000 Cu\n0.666666 0.333332 0.000000 Cu\n0.500000 -0.000001 0.500000 Cu\n0.499999 0.499999 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n",
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{
"id": "jvasp-111236",
"created_at": "2022-09-04T14:38:48.499205Z",
"updated_at": "2022-09-04T14:38:48.499228Z",
"structure_string": "Rb2 Li1 Ga1 F6\n1.0\n5.015136 -0.000000 2.895490\n1.671712 4.728315 2.895490\n-0.000000 -0.000000 5.790980\nRb Li Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.236885 0.236885 0.763115 F\n0.236884 0.763116 0.763115 F\n0.763116 0.763116 0.236884 F\n0.236884 0.763116 0.236884 F\n0.763116 0.236885 0.763115 F\n0.763116 0.236885 0.236884 F\n",
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"spacegroup": 225
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{
"id": "jvasp-42028",
"created_at": "2022-09-04T14:37:38.647330Z",
"updated_at": "2022-09-04T14:37:38.647355Z",
"structure_string": "Pr1 Mg1 Hg2\n1.0\n0.000000 3.667473 3.667473\n3.667473 -0.000000 3.667473\n3.667473 3.667473 0.000000\nPr Mg Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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},
{
"id": "jvasp-109247",
"created_at": "2022-09-04T14:38:17.542859Z",
"updated_at": "2022-09-04T14:38:17.542884Z",
"structure_string": "Rb2 Ga1 Ag1 I6\n1.0\n7.101363 -0.000000 4.099974\n2.367121 6.695229 4.099974\n-0.000000 -0.000000 8.199948\nRb Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.754269 0.245731 0.245731 I\n0.245731 0.245731 0.754269 I\n0.245731 0.754269 0.754269 I\n0.245731 0.754269 0.245730 I\n0.754269 0.245731 0.754269 I\n0.754269 0.754269 0.245730 I\n",
"nsites": 10,
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"density_atomic": 0.025649668268904913,
"volume": 389.8685899233636,
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"formula_full": "Rb2 Ga1 Ag1 I6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-108973",
"created_at": "2022-09-04T14:38:18.180453Z",
"updated_at": "2022-09-04T14:38:18.180482Z",
"structure_string": "K3 Ru1 F6\n1.0\n5.442484 -0.000000 3.142219\n1.814161 5.131223 3.142219\n-0.000000 -0.000000 6.284439\nK Ru F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750001 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Ru\n0.225557 0.225557 0.774443 F\n0.225557 0.774442 0.774443 F\n0.774442 0.774442 0.225558 F\n0.225557 0.774442 0.225558 F\n0.774442 0.225557 0.774443 F\n0.774442 0.225557 0.225558 F\n",
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{
"id": "jvasp-54498",
"created_at": "2022-09-04T14:38:36.326671Z",
"updated_at": "2022-09-04T14:38:36.326697Z",
"structure_string": "Na8 Zn4 Cl16\n1.0\n6.423801 -0.000000 0.000000\n0.000000 7.973220 0.000000\n0.000000 0.000000 13.584366\nNa Zn Cl\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.490499 0.750000 0.769895 Na\n0.990499 0.250000 0.730105 Na\n0.009501 0.750000 0.269895 Na\n0.000000 0.000000 0.000000 Na\n0.509501 0.250000 0.230105 Na\n0.000000 0.500000 0.000000 Na\n0.411422 0.250000 0.908198 Zn\n0.911422 0.750000 0.591802 Zn\n0.588578 0.750000 0.091802 Zn\n0.088578 0.250000 0.408198 Zn\n0.237074 0.750000 0.091173 Cl\n0.756122 0.522293 0.666704 Cl\n0.256122 0.022293 0.833296 Cl\n0.243878 0.022293 0.333296 Cl\n0.243878 0.477707 0.333296 Cl\n0.743878 0.977707 0.166704 Cl\n0.265541 0.250000 0.064475 Cl\n0.234459 0.250000 0.564475 Cl\n0.737074 0.250000 0.408827 Cl\n0.762926 0.250000 0.908827 Cl\n0.734459 0.750000 0.935525 Cl\n0.756122 0.977707 0.666704 Cl\n0.765541 0.750000 0.435525 Cl\n0.262926 0.750000 0.591173 Cl\n0.256122 0.477707 0.833296 Cl\n0.743878 0.522293 0.166704 Cl\n",
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{
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"created_at": "2022-09-04T14:37:38.040385Z",
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"structure_string": "Ni1 Hg4\n1.0\n5.026721 0.000000 -1.777215\n-2.513361 4.353269 -1.777215\n0.000000 0.000000 5.331644\nNi Hg\n1 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.000000 Hg\n0.000000 0.500000 0.000001 Hg\n0.500000 0.500000 0.500001 Hg\n-0.000000 -0.000000 0.500000 Hg\n",
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