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{
"id": "jvasp-92411",
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{
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{
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"structure_string": "Zr1 Fe1 Te1\n1.0\n3.733136 0.000000 2.155327\n1.244379 3.519635 2.155327\n-0.000000 0.000000 4.310655\nZr Fe Te\n1 1 1\ndirect\n0.500000 0.500001 0.499999 Zr\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "jvasp-123393",
"created_at": "2022-09-04T14:38:54.413681Z",
"updated_at": "2022-09-04T14:38:54.413729Z",
"structure_string": "Zr1 Ga1\n1.0\n1.563847 -2.708660 0.000000\n1.563847 2.708660 0.000000\n0.000000 0.000000 4.709194\nZr Ga\n1 1\ndirect\n0.333334 0.666668 0.749999 Zr\n0.666668 0.333334 0.250000 Ga\n",
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"elements": [
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"volume": 39.89563053862659,
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"formula_full": "Zr1 Ga1",
"formula_reduced": "ZrGa",
"formula_anonymous": "AB",
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"spacegroup": 187
},
{
"id": "jvasp-18712",
"created_at": "2022-09-04T14:36:19.840622Z",
"updated_at": "2022-09-04T14:36:19.840656Z",
"structure_string": "Zr4 Ga4\n1.0\n3.820198 0.000000 -0.705783\n-0.130394 3.817971 -0.705783\n-0.015198 -0.015726 10.609444\nZr Ga\n4 4\ndirect\n0.321780 0.571779 0.143558 Zr\n0.071780 0.821778 0.643557 Zr\n0.678221 0.428220 0.856443 Zr\n0.928221 0.178220 0.356443 Zr\n0.459195 0.709194 0.418389 Ga\n0.209195 0.959193 0.918388 Ga\n0.540806 0.290805 0.581611 Ga\n0.790806 0.040806 0.081612 Ga\n",
"nsites": 8,
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"volume": 154.65823784080465,
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"formula_full": "Zr4 Ga4",
"formula_reduced": "ZrGa",
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},
{
"id": "jvasp-18713",
"created_at": "2022-09-04T14:36:33.617961Z",
"updated_at": "2022-09-04T14:36:33.617977Z",
"structure_string": "Zr2 Ga4\n1.0\n3.825567 0.000000 -1.184995\n0.000000 4.139432 0.000000\n0.017549 0.000000 6.824272\nZr Ga\n2 4\ndirect\n0.649190 0.000000 0.298380 Zr\n0.350811 0.000000 0.701621 Zr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.820692 0.500000 0.641384 Ga\n0.179309 0.500000 0.358616 Ga\n",
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{
"id": "jvasp-18714",
"created_at": "2022-09-04T14:36:35.071089Z",
"updated_at": "2022-09-04T14:36:35.071116Z",
"structure_string": "Zr1 Ga3\n1.0\n3.613297 0.000000 -1.496215\n-0.619561 3.559784 -1.496215\n0.105887 0.125908 5.366801\nZr Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750001 0.250000 0.500001 Ga\n0.500000 0.499999 0.000001 Ga\n0.250001 0.749999 0.500001 Ga\n",
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{
"id": "jvasp-90673",
"created_at": "2022-09-04T14:36:02.858720Z",
"updated_at": "2022-09-04T14:36:02.858742Z",
"structure_string": "Zr2 Ga6\n1.0\n3.986557 -0.000000 -0.000000\n-0.000000 3.986557 -0.000000\n-1.993278 -1.993278 8.803308\nZr Ga\n2 6\ndirect\n0.882017 0.882017 0.764034 Zr\n0.117983 0.117983 0.235966 Zr\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.623721 0.623721 0.247441 Ga\n0.376280 0.376280 0.752560 Ga\n",
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"formula_full": "Zr2 Ga6",
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},
{
"id": "jvasp-35510",
"created_at": "2022-09-04T14:37:40.214261Z",
"updated_at": "2022-09-04T14:37:40.214282Z",
"structure_string": "Zr1 Ga5 Co1\n1.0\n4.135815 0.000000 0.000000\n0.000000 4.135815 0.000000\n0.000000 0.000000 6.672389\nZr Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500001 0.305071 Ga\n0.000000 0.500001 0.694929 Ga\n0.500001 0.000000 0.305071 Ga\n0.500001 0.000000 0.694929 Ga\n0.500001 0.500001 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
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"formula_full": "Zr1 Ga5 Co1",
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"formula_anonymous": "ABC5",
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},
{
"id": "jvasp-16879",
"created_at": "2022-09-04T14:38:31.662491Z",
"updated_at": "2022-09-04T14:38:31.662528Z",
"structure_string": "Zr2 Ga2 Au2\n1.0\n2.188486 -3.790570 -0.000000\n2.188486 3.790570 -0.000000\n-0.000000 -0.000000 6.767741\nZr Ga Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666668 0.333334 0.786818 Ga\n0.666668 0.333334 0.213182 Ga\n0.333334 0.666668 0.285206 Au\n0.333334 0.666668 0.714794 Au\n",
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},
{
"id": "jvasp-109621",
"created_at": "2022-09-04T14:38:28.404829Z",
"updated_at": "2022-09-04T14:38:28.404849Z",
"structure_string": "Zr1 Ga1 Co2\n1.0\n3.700975 -0.000000 2.136759\n1.233658 3.489313 2.136759\n-0.000000 -0.000000 4.273518\nZr Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500000 0.500000 Ga\n0.750001 0.749999 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
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},
{
"id": "jvasp-93365",
"created_at": "2022-09-04T14:35:51.959546Z",
"updated_at": "2022-09-04T14:35:51.959572Z",
"structure_string": "Zr2 Ga2 Cu2\n1.0\n-2.118041 -3.668237 0.000000\n-2.118041 3.668237 -0.000000\n0.000000 -0.000000 -6.456658\nZr Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666670 0.333329 0.250000 Ga\n0.333329 0.666670 0.750000 Ga\n0.666665 0.333335 0.750000 Cu\n0.333335 0.666665 0.250000 Cu\n",
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}
]
}