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{
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"updated_at": "2022-09-04T14:38:54.479195Z",
"structure_string": "Zr1 Te1\n1.0\n1.901217 -3.293001 -0.000000\n1.901217 3.293001 -0.000000\n-0.000000 0.000000 3.898562\nZr Te\n1 1\ndirect\n0.333334 0.666667 0.750000 Zr\n0.666667 0.333334 0.250000 Te\n",
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{
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"created_at": "2022-09-04T14:37:55.073696Z",
"updated_at": "2022-09-04T14:37:55.073727Z",
"structure_string": "Zr2 Te2\n1.0\n1.879044 -3.254600 -0.000000\n1.879044 3.254600 -0.000000\n-0.000000 0.000000 8.089961\nZr Te\n2 2\ndirect\n0.666666 0.333332 0.750000 Zr\n0.333332 0.666666 0.250000 Zr\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "jvasp-14671",
"created_at": "2022-09-04T14:36:31.615340Z",
"updated_at": "2022-09-04T14:36:31.615375Z",
"structure_string": "Zr5 Te4\n1.0\n3.762101 -0.000000 0.948897\n1.881051 7.679840 0.474448\n0.002824 0.000000 7.921072\nZr Te\n5 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.309682 0.058459 0.322176 Zr\n0.631859 0.677824 0.058459 Zr\n0.368140 0.322176 0.941542 Zr\n0.690316 0.941541 0.677825 Zr\n0.051694 0.230265 0.666346 Te\n0.718040 0.333654 0.230266 Te\n0.281959 0.666346 0.769735 Te\n0.948304 0.769735 0.333655 Te\n",
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"elements": [
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"formula_full": "Zr5 Te4",
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"formula_anonymous": "A4B5",
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"spacegroup": 87
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{
"id": "jvasp-1198",
"created_at": "2022-09-04T14:35:48.472908Z",
"updated_at": "2022-09-04T14:35:48.472935Z",
"structure_string": "Zn1 Te1\n1.0\n3.774536 0.000000 2.179229\n1.258178 3.558667 2.179229\n0.000000 0.000000 4.358459\nZn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Te\n",
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"elements": [
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"chemical_system": "Te-Zn",
"density": 5.474478698093618,
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"volume": 58.5442016272722,
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"formula_full": "Zn1 Te1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.00023,
"spacegroup": 216
},
{
"id": "jvasp-8186",
"created_at": "2022-09-04T14:37:04.400776Z",
"updated_at": "2022-09-04T14:37:04.400802Z",
"structure_string": "Zn2 Te2\n1.0\n2.172253 -3.762451 0.000000\n2.172253 3.762451 -0.000000\n0.000000 0.000000 7.165593\nZn Te\n2 2\ndirect\n0.333332 0.666666 0.000928 Zn\n0.666666 0.333332 0.500928 Zn\n0.333332 0.666666 0.374072 Te\n0.666666 0.333332 0.874071 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Te-Zn",
"density": 5.472594413911585,
"density_atomic": 0.03415046334041875,
"volume": 117.12871828786592,
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"formula_reduced": "ZnTe",
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"spacegroup": 186
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{
"id": "jvasp-79793",
"created_at": "2022-09-04T14:36:47.540108Z",
"updated_at": "2022-09-04T14:36:47.540129Z",
"structure_string": "Zn2 Te2\n1.0\n4.319988 -0.160888 -0.000000\n-0.609441 4.279808 -0.000000\n-0.000000 -0.000000 5.498751\nZn Te\n2 2\ndirect\n0.639284 0.360716 0.750000 Zn\n0.360717 0.639284 0.250000 Zn\n0.228455 0.771546 0.750000 Te\n0.771546 0.228454 0.250000 Te\n",
"nsites": 4,
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"elements": [
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"volume": 101.1257010791721,
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"formula_full": "Zn2 Te2",
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"formula_anonymous": "AB",
"energy_above_hull": 0.12033,
"spacegroup": 63
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{
"id": "jvasp-19909",
"created_at": "2022-09-04T14:36:33.544118Z",
"updated_at": "2022-09-04T14:36:33.544139Z",
"structure_string": "Zn1 Te1\n1.0\n3.542083 0.000000 2.045023\n1.180694 3.339508 2.045023\n0.000000 0.000000 4.090046\nZn Te\n1 1\ndirect\n0.499999 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Te\n",
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"elements": [
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"volume": 48.38039549248846,
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"formula_full": "Zn1 Te1",
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"spacegroup": 225
},
{
"id": "jvasp-54897",
"created_at": "2022-09-04T14:37:27.617709Z",
"updated_at": "2022-09-04T14:37:27.617738Z",
"structure_string": "Zn3 Te3\n1.0\n2.179218 -3.774520 0.000000\n2.179221 3.774518 -0.000000\n0.000000 0.000000 10.674706\nZn Te\n3 3\ndirect\n0.333477 0.000029 0.693338 Zn\n0.666552 0.666523 0.360005 Zn\n-0.000029 0.333448 0.026672 Zn\n0.333271 -0.000106 0.443329 Te\n0.000106 0.333376 0.776662 Te\n0.666623 0.666729 0.109995 Te\n",
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"elements": [
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"density_atomic": 0.03416667682963889,
"volume": 175.60970386195484,
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"formula_full": "Zn3 Te3",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-8200",
"created_at": "2022-09-04T14:38:04.756842Z",
"updated_at": "2022-09-04T14:38:04.756859Z",
"structure_string": "Zn3 Te3\n1.0\n2.167457 -3.754145 -0.000000\n2.167457 3.754145 -0.000000\n-0.000000 -0.000000 9.801850\nZn Te\n3 3\ndirect\n0.000000 0.500226 0.666667 Zn\n0.500226 0.000000 0.333333 Zn\n0.499776 0.499776 0.000000 Zn\n0.000000 0.500064 0.166667 Te\n0.500064 0.000000 0.833333 Te\n0.499937 0.499937 0.500000 Te\n",
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"density_atomic": 0.03761418614924331,
"volume": 159.51428474867328,
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"formula_full": "Zn3 Te3",
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"energy_above_hull": 0.06408,
"spacegroup": 181
},
{
"id": "jvasp-94282",
"created_at": "2022-09-04T14:35:47.482858Z",
"updated_at": "2022-09-04T14:35:47.482870Z",
"structure_string": "Zn3 Te3\n1.0\n-2.167402 -3.754050 0.000000\n-2.167402 3.754050 -0.000000\n0.000000 -0.000000 -9.802098\nZn Te\n3 3\ndirect\n0.499706 0.499706 0.666633 Zn\n0.500293 -0.000000 0.999967 Zn\n-0.000000 0.500293 0.333300 Zn\n0.499852 0.499852 0.166633 Te\n0.500148 -0.000000 0.499967 Te\n-0.000000 0.500148 0.833300 Te\n",
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"elements": [
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},
{
"id": "jvasp-1345",
"created_at": "2022-09-04T14:35:47.816138Z",
"updated_at": "2022-09-04T14:35:47.816162Z",
"structure_string": "Yb1 Te1\n1.0\n3.860649 0.000000 2.228946\n1.286883 3.639854 2.228946\n0.000000 0.000000 4.457893\nYb Te\n1 1\ndirect\n0.500000 0.499999 0.500001 Yb\n0.000000 0.000000 0.000000 Te\n",
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"volume": 62.64319824272521,
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-93898",
"created_at": "2022-09-04T14:36:20.416558Z",
"updated_at": "2022-09-04T14:36:20.416577Z",
"structure_string": "Yb2 Te4\n1.0\n4.382750 -0.000000 -0.000000\n0.000000 4.382750 0.000000\n0.000000 0.000000 9.334703\nYb Te\n2 4\ndirect\n0.750000 0.750000 0.710677 Yb\n0.250000 0.250000 0.289323 Yb\n0.750000 0.250000 0.000000 Te\n0.250000 0.750000 0.000000 Te\n0.750000 0.750000 0.366186 Te\n0.250000 0.250000 0.633814 Te\n",
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"formula_full": "Yb2 Te4",
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"formula_anonymous": "AB2",
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}