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{
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"results": [
{
"id": "jvasp-69066",
"created_at": "2022-09-04T14:35:42.772271Z",
"updated_at": "2022-09-04T14:35:42.772296Z",
"structure_string": "Ba1 V1 Te2\n1.0\n4.332818 0.000000 0.000000\n0.000000 4.332818 0.000000\n-0.000000 0.000000 7.606975\nBa V Te\n1 1 2\ndirect\n0.500000 0.500000 0.818106 Ba\n0.000000 0.000000 0.334598 V\n0.000000 0.000000 0.979665 Te\n0.500000 0.500000 0.367629 Te\n",
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{
"id": "jvasp-23095",
"created_at": "2022-09-04T14:37:33.725948Z",
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"structure_string": "K8 Al8 Te16\n1.0\n8.330300 0.001469 -1.062327\n-0.137205 8.329170 -1.062327\n-0.009001 -0.009152 16.467457\nK Al Te\n8 8 16\ndirect\n0.780417 0.654858 0.118380 K\n0.220243 0.847785 0.888269 K\n0.345142 0.219583 0.381619 K\n0.219583 0.345143 0.881620 K\n0.654857 0.780417 0.618380 K\n0.847785 0.220244 0.388269 K\n0.779756 0.152215 0.111730 K\n0.152215 0.779757 0.611731 K\n0.710293 0.088095 0.840951 Al\n0.289900 0.417361 0.159885 Al\n0.582639 0.710100 0.340115 Al\n0.710099 0.582640 0.840115 Al\n0.417361 0.289901 0.659885 Al\n0.088094 0.710293 0.340951 Al\n0.289707 0.911905 0.159049 Al\n0.911905 0.289707 0.659049 Al\n0.947230 0.052770 0.750000 Te\n0.052769 0.947231 0.250000 Te\n0.735862 0.859000 0.938628 Te\n0.141000 0.264138 0.561372 Te\n0.264138 0.141000 0.061372 Te\n0.858999 0.735862 0.438628 Te\n0.427460 0.052588 0.750572 Te\n0.052588 0.427460 0.250571 Te\n0.572540 0.947412 0.249428 Te\n0.638767 0.264169 0.558997 Te\n0.735831 0.361233 0.941003 Te\n0.361232 0.735831 0.441003 Te\n0.264169 0.638767 0.058997 Te\n0.572977 0.427023 0.250000 Te\n0.947412 0.572541 0.749428 Te\n0.427023 0.572977 0.750000 Te\n",
"nsites": 32,
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"elements": [
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"Al",
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"density": 3.735888897505702,
"density_atomic": 0.02801053301111238,
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"formula_full": "K8 Al8 Te16",
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"spacegroup": 15
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{
"id": "jvasp-102360",
"created_at": "2022-09-04T14:37:16.558738Z",
"updated_at": "2022-09-04T14:37:16.558769Z",
"structure_string": "K3 Ce1 Cl6\n1.0\n6.895833 -0.000000 3.981311\n2.298611 6.501454 3.981311\n-0.000000 -0.000000 7.962623\nK Ce Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.242028 0.242028 0.757972 Cl\n0.242028 0.757972 0.757972 Cl\n0.757972 0.757972 0.242028 Cl\n0.242028 0.757972 0.242028 Cl\n0.757972 0.242028 0.757972 Cl\n0.757972 0.242028 0.242028 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.1868181164837965,
"density_atomic": 0.02801216117225411,
"volume": 356.9878074921597,
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"formula_full": "K3 Ce1 Cl6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-113680",
"created_at": "2022-09-04T14:38:48.286174Z",
"updated_at": "2022-09-04T14:38:48.286200Z",
"structure_string": "Rb1 Al1 O1\n1.0\n7.524084 1.036977 0.000000\n1.616703 3.831676 0.000000\n0.000000 0.000000 3.943947\nRb Al O\n1 1 1\ndirect\n-0.108313 -0.003202 0.000000 Rb\n0.391167 0.003168 0.000000 Al\n0.136310 0.268293 0.000000 O\n",
"nsites": 3,
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"density": 1.9917010919165783,
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"volume": 107.09144528084897,
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{
"id": "jvasp-65624",
"created_at": "2022-09-04T14:36:06.862292Z",
"updated_at": "2022-09-04T14:36:06.862311Z",
"structure_string": "Ba2 Ca1 Ni1\n1.0\n-0.000000 4.148434 4.148434\n4.148434 -0.000000 4.148434\n4.148434 4.148434 -0.000000\nBa Ca Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Ni\n",
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{
"id": "jvasp-29705",
"created_at": "2022-09-04T14:38:07.309856Z",
"updated_at": "2022-09-04T14:38:07.309879Z",
"structure_string": "In1 Si1 Te3\n1.0\n7.071507 -0.000001 0.000000\n-3.535752 6.124105 -0.000000\n0.000000 -0.000000 4.121025\nIn Si Te\n1 1 3\ndirect\n0.333333 0.666667 0.708117 In\n-0.000000 0.000000 0.208011 Si\n0.355405 0.341142 0.208021 Te\n0.658858 0.014263 0.208021 Te\n0.985737 0.644595 0.208021 Te\n",
"nsites": 5,
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],
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"density": 4.891365864147768,
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"volume": 178.4677784168265,
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"formula_full": "In1 Si1 Te3",
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"formula_anonymous": "ABC3",
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"spacegroup": 174
},
{
"id": "jvasp-29721",
"created_at": "2022-09-04T14:38:04.266180Z",
"updated_at": "2022-09-04T14:38:04.266190Z",
"structure_string": "In4 Te10\n1.0\n4.371905 -0.000098 0.067668\n2.185832 8.359422 0.033812\n-0.191600 0.000006 13.670132\nIn Te\n4 10\ndirect\n0.610592 0.769177 0.312562 In\n0.992960 0.005869 0.140338 In\n0.379485 0.230844 0.812557 In\n-0.001239 0.994110 0.640346 In\n0.301026 0.387749 0.232962 Te\n0.392490 0.207350 0.599081 Te\n0.688591 0.612258 0.732971 Te\n0.159769 0.677022 0.578735 Te\n0.225400 0.542721 0.884663 Te\n0.004225 0.981904 0.354363 Te\n0.985851 0.018100 0.854364 Te\n0.836905 0.322964 0.078724 Te\n0.768239 0.457288 0.384657 Te\n0.599894 0.792643 0.099078 Te\n",
"nsites": 14,
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"elements": [
"In",
"Te"
],
"chemical_system": "In-Te",
"density": 5.766339814171317,
"density_atomic": 0.028016353666805743,
"volume": 499.70814069881766,
"volume_molar": 21.495091158615466,
"formula_full": "In4 Te10",
"formula_reduced": "In2Te5",
"formula_anonymous": "A2B5",
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"spacegroup": 36
},
{
"id": "jvasp-12048",
"created_at": "2022-09-04T14:37:56.728059Z",
"updated_at": "2022-09-04T14:37:56.728075Z",
"structure_string": "Bi4 Br12\n1.0\n7.164619 0.000000 -0.197611\n0.000000 12.416967 0.000000\n-2.188132 0.000000 6.479051\nBi Br\n4 12\ndirect\n0.500341 0.333647 0.000276 Bi\n-0.000341 0.833647 -0.000276 Bi\n0.000341 0.166353 0.000276 Bi\n0.499659 0.666354 -0.000276 Bi\n0.247590 0.168439 0.742949 Br\n0.254405 0.499822 0.736420 Br\n0.253406 0.331328 0.257909 Br\n0.246594 0.831328 0.742091 Br\n0.245595 -0.000178 0.263580 Br\n0.747590 0.331561 0.742949 Br\n0.252410 0.668439 0.257051 Br\n0.754405 0.000178 0.736420 Br\n0.753406 0.168672 0.257909 Br\n0.746594 0.668672 0.742092 Br\n0.745595 0.500178 0.263580 Br\n0.752410 0.831561 0.257051 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Bi-Br",
"density": 5.219178657062037,
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"volume": 571.0256789760302,
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"formula_full": "Bi4 Br12",
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"spacegroup": 12
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{
"id": "jvasp-110072",
"created_at": "2022-09-04T14:38:20.594779Z",
"updated_at": "2022-09-04T14:38:20.594800Z",
"structure_string": "Rb3 Ho1 Cl6\n1.0\n6.895202 -0.000000 3.980947\n2.298401 6.500859 3.980947\n-0.000000 -0.000000 7.961894\nRb Ho Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ho\n0.768693 0.231307 0.231307 Cl\n0.231307 0.768693 0.768693 Cl\n0.231307 0.768693 0.231307 Cl\n0.768693 0.231307 0.768693 Cl\n0.231307 0.231307 0.768693 Cl\n0.768693 0.768693 0.231307 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.028019854027154033,
"volume": 356.8897964389466,
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{
"id": "jvasp-56835",
"created_at": "2022-09-04T14:37:34.166922Z",
"updated_at": "2022-09-04T14:37:34.166950Z",
"structure_string": "Rb2 U1 Br6\n1.0\n6.657007 -0.000000 3.843425\n2.219003 6.276287 3.843425\n0.000000 -0.000000 7.686850\nRb U Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 U\n0.254653 0.745347 0.745346 Br\n0.745347 0.254654 0.254653 Br\n0.745347 0.254654 0.745346 Br\n0.254653 0.745347 0.254653 Br\n0.254653 0.254654 0.745346 Br\n0.745347 0.745347 0.254652 Br\n",
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],
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"density": 4.593268318739683,
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"volume": 321.1664820787862,
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"formula_full": "Rb2 U1 Br6",
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{
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"created_at": "2022-09-04T14:37:42.793703Z",
"updated_at": "2022-09-04T14:37:42.793730Z",
"structure_string": "Bi2 Te3\n1.0\n10.713273 0.017519 0.010423\n9.781717 4.369502 0.010423\n9.781717 2.093808 3.835182\nBi Te\n2 3\ndirect\n0.399170 0.399170 0.399168 Bi\n0.600831 0.600832 0.600830 Bi\n0.211976 0.211976 0.211975 Te\n0.000000 0.000000 0.000000 Te\n0.788025 0.788025 0.788022 Te\n",
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{
"id": "jvasp-110279",
"created_at": "2022-09-04T14:38:16.335123Z",
"updated_at": "2022-09-04T14:38:16.335151Z",
"structure_string": "Bi2 Te4 Pb1\n1.0\n4.449321 0.007022 13.827604\n2.175713 3.881079 13.827604\n0.011965 0.007022 14.525803\nBi Te Pb\n2 4 1\ndirect\n0.428648 0.428648 0.428648 Bi\n0.000507 0.000507 0.000507 Bi\n0.862946 0.862945 0.862945 Te\n0.134681 0.134681 0.134681 Te\n0.712359 0.712358 0.712358 Te\n0.292758 0.292757 0.292757 Te\n0.568102 0.568101 0.568102 Pb\n",
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