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{
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{
"id": "jvasp-40473",
"created_at": "2022-09-04T14:37:43.092919Z",
"updated_at": "2022-09-04T14:37:43.092933Z",
"structure_string": "Ba4 Ca4 I16\n1.0\n9.987249 0.000000 0.000000\n-0.000000 10.429250 0.000000\n0.000000 0.000000 10.248678\nBa Ca I\n4 4 16\ndirect\n0.832929 0.250000 0.750000 Ba\n0.667071 0.250000 0.250000 Ba\n0.332929 0.750000 0.750000 Ba\n0.167071 0.750000 0.250000 Ba\n0.750000 0.730868 0.000000 Ca\n0.750000 0.769132 0.500000 Ca\n0.250000 0.230868 0.500000 Ca\n0.250000 0.269132 0.000000 Ca\n0.201883 0.065120 0.773233 I\n0.201883 0.434880 0.726767 I\n0.298117 0.065120 0.226767 I\n0.298117 0.434880 0.273233 I\n0.453402 0.785621 0.447152 I\n0.453402 0.714379 0.052848 I\n0.546598 0.285621 0.947152 I\n0.798117 0.565120 0.273233 I\n0.701883 0.565120 0.726767 I\n0.701883 0.934880 0.773233 I\n0.046598 0.785621 0.552848 I\n0.798117 0.934880 0.226767 I\n0.953402 0.214379 0.447152 I\n0.953402 0.285621 0.052848 I\n0.546598 0.214379 0.552848 I\n0.046598 0.714379 0.947152 I\n",
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{
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"updated_at": "2022-09-04T14:37:04.699564Z",
"structure_string": "Mg2 Mn2 F10\n1.0\n5.259973 -0.201846 1.223555\n-1.846780 4.618439 1.161308\n0.380391 -0.688360 7.234075\nMg Mn F\n2 2 10\ndirect\n0.754642 0.466052 0.721403 Mg\n0.242317 0.532817 0.277265 Mg\n-0.001525 -0.000574 0.999342 Mn\n0.498479 -0.000573 0.499336 Mn\n0.598132 0.867032 0.230836 F\n0.398818 0.131844 0.767829 F\n0.377709 0.259009 0.388782 F\n0.108143 0.808179 0.170363 F\n0.179486 0.338745 0.066939 F\n0.842289 0.301741 0.457255 F\n0.817485 0.660118 -0.068267 F\n0.154679 0.697110 0.541415 F\n0.888792 0.190671 0.828334 F\n0.619265 0.739857 0.609881 F\n",
"nsites": 14,
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"density_atomic": 0.07929256303704875,
"volume": 176.56132509499818,
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"formula_full": "Mg2 Mn2 F10",
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"spacegroup": 2
},
{
"id": "jvasp-82116",
"created_at": "2022-09-04T14:37:07.263499Z",
"updated_at": "2022-09-04T14:37:07.263520Z",
"structure_string": "Ba2 Hg1 Bi1\n1.0\n-6.445594 -4.989164 -11.868528\n-4.551258 -3.351525 -2.113690\n-2.822541 1.536761 -5.107707\nBa Hg Bi\n2 1 1\ndirect\n0.747857 0.004387 0.004388 Ba\n0.252144 -0.004389 -0.004387 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 -0.000001 0.000000 Bi\n",
"nsites": 4,
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"density": 7.5632565670334335,
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"volume": 150.22382705795133,
"volume_molar": 22.61672580122199,
"formula_full": "Ba2 Hg1 Bi1",
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"spacegroup": 71
},
{
"id": "jvasp-7789",
"created_at": "2022-09-04T14:37:17.011132Z",
"updated_at": "2022-09-04T14:37:17.011167Z",
"structure_string": "Rb2 O1\n1.0\n4.140647 -0.000000 2.390604\n1.380216 3.903840 2.390604\n0.000000 -0.000000 4.781208\nRb O\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.03881712803744517,
"volume": 77.28547040126287,
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{
"id": "jvasp-64776",
"created_at": "2022-09-04T14:36:17.303055Z",
"updated_at": "2022-09-04T14:36:17.303082Z",
"structure_string": "K1 Ba1 Hg1\n1.0\n0.000000 4.082941 4.082941\n4.082941 -0.000000 4.082941\n4.082941 4.082941 0.000000\nK Ba Hg\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"density": 4.598950806634185,
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{
"id": "jvasp-13976",
"created_at": "2022-09-04T14:35:44.895237Z",
"updated_at": "2022-09-04T14:35:44.895265Z",
"structure_string": "Li2 Sm2 Al2 F12\n1.0\n2.427577 -4.204686 -0.000000\n2.427577 4.204686 0.000000\n0.000000 0.000000 11.114521\nLi Sm Al F\n2 2 2 12\ndirect\n0.666668 0.333334 0.750000 Li\n0.333334 0.666668 0.250000 Li\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666668 0.750000 Al\n0.666668 0.333334 0.250000 Al\n0.643009 0.976232 0.656165 F\n0.643009 0.666778 0.843835 F\n0.333224 0.976232 0.843835 F\n0.666778 0.643009 0.156165 F\n0.976232 0.333224 0.156165 F\n0.356993 0.023769 0.156165 F\n0.333224 0.356993 0.656165 F\n0.023769 0.356993 0.843835 F\n0.666778 0.023769 0.343835 F\n0.356993 0.333224 0.343835 F\n0.023769 0.666778 0.656165 F\n0.976232 0.643009 0.343835 F\n",
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"elements": [
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],
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"density": 4.365818176131037,
"density_atomic": 0.07933141044032671,
"volume": 226.8962558473563,
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"formula_full": "Li2 Sm2 Al2 F12",
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"formula_anonymous": "ABCD6",
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"spacegroup": 182
},
{
"id": "jvasp-50160",
"created_at": "2022-09-04T14:36:30.977404Z",
"updated_at": "2022-09-04T14:36:30.977428Z",
"structure_string": "Rb4 O2\n1.0\n0.000000 4.766619 -0.069314\n4.798710 0.000000 0.000000\n0.000000 -0.099212 -6.760631\nRb O\n4 2\ndirect\n0.250022 0.749855 -0.000360 Rb\n0.249994 0.750121 0.499958 Rb\n0.750007 0.250121 0.500041 Rb\n0.749979 0.249855 0.000359 Rb\n0.249969 0.250025 0.749986 O\n0.750031 0.750025 0.250013 O\n",
"nsites": 6,
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"density": 4.013792074290347,
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"volume": 154.67311941899888,
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"formula_full": "Rb4 O2",
"formula_reduced": "Rb2O",
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"spacegroup": 225
},
{
"id": "jvasp-22700",
"created_at": "2022-09-04T14:38:13.160982Z",
"updated_at": "2022-09-04T14:38:13.161015Z",
"structure_string": "Rb2 O1\n1.0\n4.774105 -0.000000 0.000000\n-2.387053 1.378166 3.919433\n2.387053 -4.134496 0.000000\nRb O\n2 1\ndirect\n0.249942 0.749824 0.249941 Rb\n0.750059 0.250175 0.750059 Rb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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},
{
"id": "jvasp-99534",
"created_at": "2022-09-04T14:36:31.001731Z",
"updated_at": "2022-09-04T14:36:31.001753Z",
"structure_string": "Ga6 Hg2\n1.0\n6.314845 0.000000 0.000000\n-3.157422 5.468816 0.000000\n0.000000 0.000000 4.913514\nGa Hg\n6 2\ndirect\n0.161327 0.322653 0.250000 Ga\n0.677347 0.838674 0.250000 Ga\n0.161327 0.838674 0.250000 Ga\n0.838673 0.677348 0.749999 Ga\n0.322653 0.161327 0.749999 Ga\n0.838673 0.161327 0.749999 Ga\n0.333333 0.666667 0.749999 Hg\n0.666666 0.333334 0.250000 Hg\n",
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"formula_full": "Ga6 Hg2",
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{
"id": "jvasp-79655",
"created_at": "2022-09-04T14:36:42.872696Z",
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"structure_string": "Ga4\n1.0\n3.877929 2.332415 0.000000\n-3.877929 2.332415 0.000000\n0.000000 0.000000 4.674611\nGa\n4\ndirect\n0.008541 0.334174 0.250000 Ga\n0.665824 0.991457 0.750000 Ga\n0.991457 0.665824 0.750000 Ga\n0.334174 0.008541 0.250000 Ga\n",
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},
{
"id": "jvasp-39392",
"created_at": "2022-09-04T14:38:29.857653Z",
"updated_at": "2022-09-04T14:38:29.857666Z",
"structure_string": "Nd2 Cl4\n1.0\n7.118427 0.000000 0.000000\n0.000000 7.118427 0.000000\n0.000000 0.000000 3.587257\nNd Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.279304 0.279304 0.000000 Cl\n0.720697 0.720697 0.000000 Cl\n0.220697 0.779304 0.500000 Cl\n0.779304 0.220697 0.500000 Cl\n",
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{
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"created_at": "2022-09-04T14:37:27.283510Z",
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"structure_string": "Na3 Ca1\n1.0\n0.000000 4.214265 4.214265\n4.214265 -0.000000 4.214265\n4.214265 4.214265 -0.000000\nNa Ca\n3 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 Na\n0.249999 0.249999 0.249999 Na\n0.749998 0.749998 0.749998 Ca\n",
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}