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{
"id": "jvasp-116214",
"created_at": "2022-09-04T14:38:49.530354Z",
"updated_at": "2022-09-04T14:38:49.530377Z",
"structure_string": "K1 Te1\n1.0\n5.795922 -0.000000 0.000000\n-2.897961 5.019416 -0.000000\n-0.000000 -0.000000 3.269408\nK Te\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.000000 Te\n",
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{
"id": "jvasp-2166",
"created_at": "2022-09-04T14:36:38.137326Z",
"updated_at": "2022-09-04T14:36:38.137350Z",
"structure_string": "K4 Te4\n1.0\n2.782410 -4.819276 0.000000\n2.782410 4.819276 0.000000\n0.000000 0.000000 12.176444\nK Te\n4 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.250000 K\n0.666667 0.333333 0.750000 K\n0.333333 0.666667 0.632784 Te\n0.666667 0.333333 0.132784 Te\n0.666667 0.333333 0.367215 Te\n0.333333 0.666667 0.867215 Te\n",
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{
"id": "jvasp-115166",
"created_at": "2022-09-04T14:38:44.900669Z",
"updated_at": "2022-09-04T14:38:44.900692Z",
"structure_string": "K1 Te2\n1.0\n6.111258 -0.794166 -1.264935\n-0.402549 -4.136992 0.661617\n2.287848 3.187460 -5.434253\nK Te\n1 2\ndirect\n0.079016 0.864391 -0.064103 K\n0.356389 0.690404 0.261821 Te\n0.802158 0.037986 0.609645 Te\n",
"nsites": 3,
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"volume": 114.6879627425749,
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"formula_full": "K1 Te2",
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{
"id": "jvasp-115161",
"created_at": "2022-09-04T14:38:45.087502Z",
"updated_at": "2022-09-04T14:38:45.087534Z",
"structure_string": "K2 Te2\n1.0\n4.815235 -0.000000 0.000000\n0.000000 4.815235 -0.000000\n-0.000000 0.000000 6.989022\nK Te\n2 2\ndirect\n0.000000 0.000000 0.306614 K\n0.500000 0.500000 0.693388 K\n0.000000 0.000000 0.822659 Te\n0.500000 0.500000 0.177339 Te\n",
"nsites": 4,
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"elements": [
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"density": 3.4163226663565336,
"density_atomic": 0.024683606234121587,
"volume": 162.05087547015586,
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"formula_full": "K2 Te2",
"formula_reduced": "KTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2142969416666667,
"spacegroup": 129
},
{
"id": "jvasp-115158",
"created_at": "2022-09-04T14:38:43.480086Z",
"updated_at": "2022-09-04T14:38:43.480122Z",
"structure_string": "K2 Te1\n1.0\n12.392498 -0.000000 0.000000\n0.000000 12.392498 0.000000\n-0.000000 -0.000000 14.765665\nK Te\n2 1\ndirect\n0.000000 0.000000 0.205439 K\n0.000000 0.000000 0.794561 K\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
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"elements": [
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"density": 0.15070115016374924,
"density_atomic": 0.0013229716224081776,
"volume": 2267.6223353447012,
"volume_molar": 455.19802979885714,
"formula_full": "K2 Te1",
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"spacegroup": 123
},
{
"id": "jvasp-115165",
"created_at": "2022-09-04T14:38:45.376185Z",
"updated_at": "2022-09-04T14:38:45.376202Z",
"structure_string": "K2 Te1\n1.0\n5.046689 0.186076 -0.707391\n0.160806 -4.860912 -0.131140\n-0.726098 -2.303040 -5.750145\nK Te\n2 1\ndirect\n0.969002 0.018688 0.064598 K\n0.468967 0.758872 0.584105 K\n0.469214 0.464931 0.171891 Te\n",
"nsites": 3,
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"elements": [
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"density": 2.3983971845069973,
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"volume": 142.48402903445643,
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"formula_full": "K2 Te1",
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"spacegroup": 38
},
{
"id": "jvasp-115157",
"created_at": "2022-09-04T14:38:45.056303Z",
"updated_at": "2022-09-04T14:38:45.056332Z",
"structure_string": "K1 Te1\n1.0\n3.624286 0.000000 0.000000\n-0.000000 3.624286 0.000000\n0.000000 0.000000 6.483535\nK Te\n1 1\ndirect\n0.000000 0.000000 0.749994 K\n0.000000 0.000000 0.250006 Te\n",
"nsites": 2,
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"elements": [
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"density": 3.2503002842355007,
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"volume": 85.16414339572772,
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"formula_full": "K1 Te1",
"formula_reduced": "KTe",
"formula_anonymous": "AB",
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"spacegroup": 123
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{
"id": "jvasp-115167",
"created_at": "2022-09-04T14:38:44.616901Z",
"updated_at": "2022-09-04T14:38:44.616928Z",
"structure_string": "K2 Te1\n1.0\n6.903409 0.797752 -1.348877\n-2.219122 -3.597213 1.596970\n1.405037 1.811513 -6.689690\nK Te\n2 1\ndirect\n0.203251 0.166750 0.306209 K\n0.703046 0.166483 0.806171 K\n0.703326 0.166764 0.306146 Te\n",
"nsites": 3,
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"elements": [
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"volume": 134.70630190052051,
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"formula_full": "K2 Te1",
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"formula_anonymous": "AB2",
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},
{
"id": "jvasp-1339",
"created_at": "2022-09-04T14:36:10.332390Z",
"updated_at": "2022-09-04T14:36:10.332401Z",
"structure_string": "K2 Te1\n1.0\n4.975485 0.000000 2.872597\n1.658495 4.690933 2.872597\n0.000000 0.000000 5.745195\nK Te\n2 1\ndirect\n0.250001 0.250000 0.250000 K\n0.750002 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.02237287672073225,
"volume": 134.09093687178785,
"volume_molar": 26.91714988273935,
"formula_full": "K2 Te1",
"formula_reduced": "K2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10677",
"created_at": "2022-09-04T14:37:00.496074Z",
"updated_at": "2022-09-04T14:37:00.496101Z",
"structure_string": "K4 U2 Te6\n1.0\n7.611638 0.000000 2.536267\n3.805819 6.945260 1.268134\n0.006666 0.000000 8.487902\nK U Te\n4 2 6\ndirect\n0.654260 0.691482 0.500000 K\n0.345741 0.308518 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.831809 0.336381 0.000000 U\n0.168191 0.663619 -0.000000 U\n0.206883 0.000000 0.787649 Te\n0.573558 0.365820 0.782485 Te\n0.939379 0.634180 0.782485 Te\n0.426443 0.634180 0.217514 Te\n0.060622 0.365820 0.217514 Te\n0.793117 0.000000 0.212350 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"U",
"Te"
],
"chemical_system": "K-Te-U",
"density": 5.175100539399803,
"density_atomic": 0.026750254570412652,
"volume": 448.59386172992544,
"volume_molar": 22.512461495079897,
"formula_full": "K4 U2 Te6",
"formula_reduced": "K2UTe3",
"formula_anonymous": "AB2C3",
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"spacegroup": 12
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{
"id": "jvasp-1852",
"created_at": "2022-09-04T14:36:02.686251Z",
"updated_at": "2022-09-04T14:36:02.686260Z",
"structure_string": "K1 Y1 Te2\n1.0\n4.425819 0.078729 7.282817\n2.099049 3.897186 7.282817\n0.129203 0.078729 8.521185\nK Y Te\n1 1 2\ndirect\n0.500000 0.500001 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.262662 0.262663 0.262663 Te\n0.737337 0.737338 0.737337 Te\n",
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"density": 4.524493759254334,
"density_atomic": 0.028441381227616844,
"volume": 140.64014570839348,
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"formula_full": "K1 Y1 Te2",
"formula_reduced": "KYTe2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-10991",
"created_at": "2022-09-04T14:37:17.598921Z",
"updated_at": "2022-09-04T14:37:17.598941Z",
"structure_string": "K4 Zn2 Te4\n1.0\n6.372968 -0.000000 -2.789869\n-1.342740 6.428815 -3.067255\n-0.020552 0.025376 8.626953\nK Zn Te\n4 2 4\ndirect\n0.859352 0.175720 0.718702 K\n0.140648 0.824279 0.281298 K\n0.640649 0.457017 0.281298 K\n0.359352 0.542983 0.718702 K\n0.250000 0.000000 -0.000000 Zn\n0.750000 0.000000 -0.000000 Zn\n0.608804 0.911048 0.217607 Te\n0.391196 0.088952 0.782393 Te\n0.891197 0.693441 0.782393 Te\n0.108804 0.306558 0.217607 Te\n",
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"formula_full": "K4 Zn2 Te4",
"formula_reduced": "K2ZnTe2",
"formula_anonymous": "AB2C2",
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