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{
"id": "jvasp-118944",
"created_at": "2022-09-04T14:38:30.763063Z",
"updated_at": "2022-09-04T14:38:30.763099Z",
"structure_string": "Rb2 Te1 Au1\n1.0\n4.542214 -3.258664 -0.837140\n4.542214 3.258664 -0.837140\n-3.689882 0.000000 5.372237\nRb Te Au\n2 1 1\ndirect\n0.249995 0.249995 0.750003 Rb\n0.750005 0.750005 0.249998 Rb\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Au\n",
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{
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"structure_string": "Na6 Y2 Br12\n1.0\n0.000000 7.092632 -0.016140\n7.681112 0.000000 0.000000\n0.000000 -6.959507 -10.664495\nNa Y Br\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Na\n0.706042 0.595487 0.744009 Na\n0.293957 0.095487 0.755991 Na\n0.499999 0.000000 0.500000 Na\n0.706042 0.904513 0.244009 Na\n0.293957 0.404513 0.255991 Na\n-0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.092276 0.442235 0.741864 Br\n0.907722 0.942235 0.758136 Br\n0.907723 0.557765 0.258136 Br\n0.092277 0.057765 0.241864 Br\n0.757855 0.188400 0.422974 Br\n0.393155 0.178314 0.071236 Br\n0.242144 0.811600 0.577026 Br\n0.757854 0.311600 0.922973 Br\n0.606844 0.821686 0.928764 Br\n0.606845 0.678314 0.428764 Br\n0.242145 0.688400 0.077026 Br\n0.393154 0.321686 0.571236 Br\n",
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{
"id": "jvasp-118579",
"created_at": "2022-09-04T14:38:35.122091Z",
"updated_at": "2022-09-04T14:38:35.122115Z",
"structure_string": "K2 Se1\n1.0\n7.537335 -1.280134 0.330135\n3.275776 -3.988568 -1.600050\n-0.049474 -1.612681 -5.143256\nK Se\n2 1\ndirect\n0.770212 0.111785 0.010229 K\n0.271207 0.111523 0.010318 K\n0.020673 0.111704 0.510245 Se\n",
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"spacegroup": 225
},
{
"id": "jvasp-24951",
"created_at": "2022-09-04T14:38:30.798672Z",
"updated_at": "2022-09-04T14:38:30.798687Z",
"structure_string": "Rb2 Na1 Fe1 F6\n1.0\n5.113146 -0.000000 2.952076\n1.704382 4.820720 2.952076\n0.000000 0.000000 5.904153\nRb Na Fe F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.226228 0.773771 0.773772 F\n0.226228 0.773771 0.226229 F\n0.773772 0.226229 0.773771 F\n0.226229 0.226229 0.773771 F\n0.773772 0.226229 0.226229 F\n0.773772 0.773771 0.226229 F\n",
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"formula_full": "Rb2 Na1 Fe1 F6",
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{
"id": "jvasp-36935",
"created_at": "2022-09-04T14:38:34.412128Z",
"updated_at": "2022-09-04T14:38:34.412157Z",
"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
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{
"id": "jvasp-12868",
"created_at": "2022-09-04T14:38:30.839577Z",
"updated_at": "2022-09-04T14:38:30.839601Z",
"structure_string": "Tl12 Ag4 Te8\n1.0\n7.611935 0.000000 0.000000\n0.000000 8.889505 -4.441374\n0.000000 0.072065 11.190665\nTl Ag Te\n12 4 8\ndirect\n0.289781 0.332844 0.413751 Tl\n0.492329 0.963651 0.235283 Tl\n0.489848 0.512915 0.209253 Tl\n0.510153 0.487084 0.790748 Tl\n0.007671 0.463651 0.235283 Tl\n0.989848 0.987084 0.790748 Tl\n0.789781 0.167155 0.586249 Tl\n0.710220 0.667155 0.586249 Tl\n0.992330 0.536348 0.764717 Tl\n0.010152 0.012915 0.209253 Tl\n0.210220 0.832844 0.413752 Tl\n0.507671 0.036348 0.764717 Tl\n0.669419 0.175692 0.093658 Ag\n0.330582 0.824307 0.906343 Ag\n0.830582 0.675691 0.093658 Ag\n0.169419 0.324308 0.906343 Ag\n0.274744 0.147425 0.040115 Te\n0.229023 0.190394 0.626003 Te\n0.770977 0.809605 0.373997 Te\n0.270977 0.690394 0.626004 Te\n0.729024 0.309605 0.373997 Te\n0.225256 0.647424 0.040115 Te\n0.725256 0.852574 0.959885 Te\n0.774745 0.352575 0.959885 Te\n",
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],
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"density_atomic": 0.03159276453961648,
"volume": 759.6676121807778,
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"spacegroup": 14
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{
"id": "jvasp-105337",
"created_at": "2022-09-04T14:38:44.468706Z",
"updated_at": "2022-09-04T14:38:44.468740Z",
"structure_string": "Yb1 Zn1 In1\n1.0\n4.728977 -0.000000 0.000000\n-2.364488 4.095415 0.000000\n0.000000 -0.000000 3.568580\nYb Zn In\n1 1 1\ndirect\n0.333333 0.666666 -0.000000 Yb\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.500000 In\n",
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"volume": 69.11312901028091,
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},
{
"id": "jvasp-33867",
"created_at": "2022-09-04T14:38:34.400234Z",
"updated_at": "2022-09-04T14:38:34.400269Z",
"structure_string": "Ho2 Br6\n1.0\n9.574858 -0.000000 -0.000000\n-4.787428 8.292070 0.000000\n0.000000 0.000000 3.720998\nHo Br\n2 6\ndirect\n0.333334 0.666667 0.750000 Ho\n0.666667 0.333334 0.250001 Ho\n0.206773 0.413546 0.250001 Br\n0.586454 0.793227 0.250001 Br\n0.206774 0.793227 0.250001 Br\n0.793226 0.586454 0.750000 Br\n0.413547 0.206775 0.750000 Br\n0.793227 0.206775 0.750000 Br\n",
"nsites": 8,
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{
"id": "jvasp-56604",
"created_at": "2022-09-04T14:38:35.165359Z",
"updated_at": "2022-09-04T14:38:35.165387Z",
"structure_string": "Ba4 Au4\n1.0\n5.086259 -0.000000 0.000000\n-0.000000 6.387087 0.000000\n0.000000 0.000000 8.270109\nBa Au\n4 4\ndirect\n0.250000 0.855448 0.686733 Ba\n0.250000 0.644552 0.186733 Ba\n0.750000 0.144552 0.313267 Ba\n0.750000 0.355448 0.813267 Ba\n0.250000 0.351676 0.539921 Au\n0.750000 0.851676 0.960080 Au\n0.250000 0.148325 0.039921 Au\n0.750000 0.648325 0.460079 Au\n",
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},
{
"id": "jvasp-116000",
"created_at": "2022-09-04T14:38:40.394221Z",
"updated_at": "2022-09-04T14:38:40.394241Z",
"structure_string": "Tl1 In1 F1\n1.0\n3.227714 0.000000 0.000000\n0.000000 3.227714 -0.000000\n0.000000 0.000000 7.916990\nTl In F\n1 1 1\ndirect\n0.000000 0.000000 0.013783 Tl\n0.000000 0.000000 0.580919 In\n0.000000 0.000000 0.311564 F\n",
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{
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"created_at": "2022-09-04T14:38:40.393667Z",
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"structure_string": "Tl1 Cd1 Te1\n1.0\n6.677202 -1.204790 0.000000\n-0.710229 4.442316 0.000000\n0.000000 0.000000 3.443113\nTl Cd Te\n1 1 1\ndirect\n-0.201356 -0.218515 0.000000 Tl\n0.457577 0.110982 0.000000 Cd\n0.165087 0.464923 0.000000 Te\n",
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},
{
"id": "jvasp-116490",
"created_at": "2022-09-04T14:38:43.293069Z",
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"structure_string": "Ca4 Cd8 Pd4\n1.0\n5.519704 -0.000000 0.000000\n0.000000 7.947561 0.000000\n-0.000000 -0.000000 8.258413\nCa Cd Pd\n4 8 4\ndirect\n0.397850 0.534426 0.250000 Ca\n0.102149 0.034426 0.250000 Ca\n0.602149 0.465574 0.750000 Ca\n0.897850 0.965574 0.750000 Ca\n0.902765 0.675353 0.053850 Cd\n0.597234 0.175353 0.446150 Cd\n0.097234 0.324647 0.553850 Cd\n0.402765 0.824646 0.946149 Cd\n0.097234 0.324647 0.946149 Cd\n0.402765 0.824646 0.553850 Cd\n0.902765 0.675353 0.446150 Cd\n0.597234 0.175353 0.053850 Cd\n0.613553 0.881145 0.250000 Pd\n0.886446 0.381145 0.250000 Pd\n0.386447 0.118855 0.750000 Pd\n0.113553 0.618855 0.750000 Pd\n",
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}