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{
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{
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{
"id": "mp-1080815",
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"formula_full": "Zr3 Sn3 Rh3",
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},
{
"id": "mp-1215570",
"created_at": "2022-09-04T14:41:46.571298Z",
"structure_string": "Zr3 Sn4 Sb2\n1.0\n4.834528 2.793849 0.000000\n-4.834528 2.793849 0.000000\n0.000000 0.066403 7.694752\nZr Sn Sb\n3 4 2\ndirect\n0.502264 0.004216 0.163408 Zr\n0.995784 0.497736 0.836592 Zr\n0.502037 0.497963 0.500000 Zr\n0.832946 0.167054 0.500000 Sn\n0.167370 0.336204 0.168949 Sn\n0.663796 0.832630 0.831051 Sn\n0.170033 0.829967 0.500000 Sn\n0.832869 0.667100 0.167437 Sb\n0.332900 0.167131 0.832563 Sb\n",
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"formula_full": "Zr3 Sn4 Sb2",
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{
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"structure_string": "Zr3 Ta1\n1.0\n4.453906 0.000000 0.000000\n0.000000 4.453906 0.000000\n0.000000 0.000000 4.453906\nZr Ta\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Ta\n",
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{
"id": "mp-1215420",
"created_at": "2022-09-04T14:46:54.340586Z",
"structure_string": "Zr3 Ta1 Fe8\n1.0\n8.186331 -2.465597 0.000000\n8.186331 2.465597 0.000000\n7.443731 0.000000 4.205478\nZr Ta Fe\n3 1 8\ndirect\n0.625023 0.625023 0.625023 Zr\n0.000933 0.000933 0.000933 Zr\n0.499106 0.499106 0.499106 Zr\n0.124947 0.124947 0.124947 Ta\n0.563602 0.064102 0.563602 Fe\n0.061983 0.559923 0.061983 Fe\n0.064102 0.563602 0.563602 Fe\n0.559923 0.061983 0.061983 Fe\n0.812277 0.812277 0.812277 Fe\n0.312519 0.312519 0.312519 Fe\n0.563602 0.563602 0.064102 Fe\n0.061983 0.061983 0.559923 Fe\n",
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"energy": -108.21086062,
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{
"id": "mp-1215289",
"created_at": "2022-09-04T14:40:21.873482Z",
"structure_string": "Zr3 Ta3 Si6 Ru6\n1.0\n3.771132 0.000000 0.000000\n0.000000 6.564656 0.000000\n0.000000 0.056287 11.269198\nZr Ta Si Ru\n3 3 6 6\ndirect\n0.500000 0.288085 0.290012 Zr\n0.500000 0.288814 0.710255 Zr\n0.500000 0.789066 0.209143 Zr\n0.500000 0.423126 0.998860 Ta\n0.500000 0.920617 0.502264 Ta\n0.500000 0.788932 0.791189 Ta\n0.500000 0.005637 0.995897 Si\n0.500000 0.507333 0.500095 Si\n0.000000 0.992706 0.667439 Si\n0.000000 0.498165 0.162200 Si\n0.000000 0.502849 0.835142 Si\n0.000000 0.996776 0.337662 Si\n0.000000 0.251545 0.502428 Ru\n0.000000 0.753640 0.996843 Ru\n0.000000 0.624903 0.624309 Ru\n0.000000 0.122959 0.120980 Ru\n0.000000 0.122373 0.876418 Ru\n0.000000 0.622672 0.378864 Ru\n",
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{
"id": "mp-1215669",
"created_at": "2022-09-04T14:47:15.837654Z",
"structure_string": "Zr3 Te1 Pb4 O13\n1.0\n6.663218 -3.842671 0.000000\n6.663218 3.842671 0.000000\n4.447153 0.000000 6.275940\nZr Te Pb O\n3 1 4 13\ndirect\n0.998906 0.500774 0.500774 Zr\n0.500774 0.500774 0.998906 Zr\n0.500774 0.998906 0.500774 Zr\n0.500392 0.500392 0.500392 Te\n0.501497 0.000640 0.000640 Pb\n0.000640 0.000640 0.501497 Pb\n0.000640 0.501497 0.000640 Pb\n0.998309 0.998309 0.998309 Pb\n0.167940 0.571365 0.167940 O\n0.566419 0.198922 0.566419 O\n0.167940 0.167940 0.571365 O\n0.566419 0.566419 0.198922 O\n0.571365 0.167940 0.167940 O\n0.198922 0.566419 0.566419 O\n0.828304 0.434033 0.828304 O\n0.435641 0.800467 0.435641 O\n0.828304 0.828304 0.434033 O\n0.435641 0.435641 0.800467 O\n0.434033 0.828304 0.828304 O\n0.800467 0.435641 0.435641 O\n0.871672 0.871672 0.871672 O\n",
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{
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{
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{
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{
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}