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{
"id": "jvasp-59172",
"created_at": "2022-09-04T14:38:36.355672Z",
"updated_at": "2022-09-04T14:38:36.355687Z",
"structure_string": "Rb12 Co4 O8\n1.0\n6.164626 0.000000 0.000000\n-0.000000 7.670757 0.000000\n0.000000 0.000000 12.274174\nRb Co O\n12 4 8\ndirect\n0.792003 0.750000 0.100089 Rb\n0.320796 0.999112 0.138250 Rb\n0.179204 0.500889 0.638249 Rb\n0.679204 0.499112 0.861750 Rb\n0.179204 0.999112 0.638249 Rb\n0.679204 0.000889 0.861750 Rb\n0.820797 0.000889 0.361750 Rb\n0.320796 0.500889 0.138250 Rb\n0.707998 0.750000 0.600088 Rb\n0.207998 0.250000 0.899911 Rb\n0.292003 0.250000 0.399911 Rb\n0.820797 0.499112 0.361750 Rb\n0.193601 0.750000 0.881611 Co\n0.693601 0.250000 0.618388 Co\n0.806400 0.250000 0.118388 Co\n0.306400 0.750000 0.381612 Co\n0.516618 0.750000 0.285425 O\n0.587448 0.250000 0.027523 O\n0.087448 0.750000 0.472477 O\n0.412552 0.750000 0.972477 O\n0.912553 0.250000 0.527523 O\n0.016617 0.250000 0.214575 O\n0.483383 0.250000 0.714575 O\n0.983383 0.750000 0.785425 O\n",
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{
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"structure_string": "Yb1 Tl1 S2\n1.0\n3.687641 -0.155838 6.089751\n1.581592 3.334899 6.089751\n-0.258298 -0.155838 7.114565\nYb Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500001 Tl\n0.742109 0.742109 0.742111 S\n0.257890 0.257890 0.257891 S\n",
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{
"id": "jvasp-109183",
"created_at": "2022-09-04T14:38:18.044503Z",
"updated_at": "2022-09-04T14:38:18.044535Z",
"structure_string": "Ga1 Ge1\n1.0\n3.541840 -0.000000 2.044882\n1.180613 3.339279 2.044882\n-0.000000 -0.000000 4.089764\nGa Ge\n1 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-93721",
"created_at": "2022-09-04T14:36:07.771359Z",
"updated_at": "2022-09-04T14:36:07.771379Z",
"structure_string": "Ce2 Mg4\n1.0\n3.127953 -0.000000 -0.000000\n-1.563976 2.708887 0.000000\n-0.000000 0.000000 17.126065\nCe Mg\n2 4\ndirect\n0.333332 0.666668 0.750000 Ce\n0.666666 0.333333 0.250000 Ce\n0.666666 0.333333 0.922413 Mg\n0.666666 0.333333 0.577587 Mg\n0.333332 0.666668 0.422413 Mg\n0.333332 0.666668 0.077587 Mg\n",
"nsites": 6,
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"elements": [
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"formula_full": "Ce2 Mg4",
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"spacegroup": 194
},
{
"id": "jvasp-108838",
"created_at": "2022-09-04T14:38:19.015175Z",
"updated_at": "2022-09-04T14:38:19.015199Z",
"structure_string": "Ti1 Tl3\n1.0\n4.590645 -0.000000 0.000000\n0.000000 4.590645 0.000000\n0.000000 0.000000 4.590645\nTi Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.499999 0.499999 Tl\n0.499999 0.000000 0.499999 Tl\n0.499999 0.499999 -0.000000 Tl\n",
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"volume": 96.7433515024326,
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},
{
"id": "jvasp-94915",
"created_at": "2022-09-04T14:35:54.404679Z",
"updated_at": "2022-09-04T14:35:54.404695Z",
"structure_string": "Re1 Cl6\n1.0\n-2.990441 -5.179594 -0.000000\n2.990440 -5.179594 -0.000000\n-0.000000 -3.453064 5.465105\nRe Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.393584 0.764275 0.757713 Cl\n0.764275 0.084426 0.757713 Cl\n0.084426 0.393585 0.757713 Cl\n0.606415 0.235724 0.242286 Cl\n0.235724 0.915573 0.242286 Cl\n0.915573 0.606415 0.242286 Cl\n",
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{
"id": "jvasp-42656",
"created_at": "2022-09-04T14:36:00.480133Z",
"updated_at": "2022-09-04T14:36:00.480163Z",
"structure_string": "Yb8 Br12 O2\n1.0\n4.660734 -8.072628 -0.000000\n4.660734 8.072628 0.000000\n-0.000000 0.000000 7.071402\nYb Br O\n8 12 2\ndirect\n0.797338 0.202661 0.003388 Yb\n0.666667 0.333333 0.411928 Yb\n0.797338 0.594677 0.003388 Yb\n0.405323 0.202662 0.003388 Yb\n0.594677 0.797338 0.503388 Yb\n0.333333 0.666667 0.911928 Yb\n0.202662 0.405323 0.503388 Yb\n0.202661 0.797338 0.503388 Yb\n0.135375 0.864624 0.883743 Br\n0.070954 0.535477 0.204691 Br\n0.464523 0.929045 0.204691 Br\n0.135376 0.270750 0.883743 Br\n0.464523 0.535476 0.204691 Br\n0.270750 0.135376 0.383743 Br\n0.864624 0.729249 0.383743 Br\n0.535476 0.464523 0.704691 Br\n0.535477 0.070954 0.704691 Br\n0.929045 0.464523 0.704691 Br\n0.864624 0.135375 0.383743 Br\n0.729249 0.864624 0.883743 Br\n0.666667 0.333333 0.101920 O\n0.333333 0.666667 0.601920 O\n",
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"density": 7.4120515576017,
"density_atomic": 0.041344514917645445,
"volume": 532.1141158342774,
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"formula_full": "Yb8 Br12 O2",
"formula_reduced": "Yb4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-115209",
"created_at": "2022-09-04T14:38:44.439913Z",
"updated_at": "2022-09-04T14:38:44.439944Z",
"structure_string": "Li1 Sn1 P1\n1.0\n5.656253 2.078780 0.000000\n-1.355498 3.604762 0.000000\n0.000000 0.000000 3.126954\nLi Sn P\n1 1 1\ndirect\n0.263885 -0.163736 0.000000 Li\n0.720627 0.830102 0.000000 Sn\n0.015487 0.333634 0.000000 P\n",
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"volume": 72.56793445236129,
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"formula_full": "Li1 Sn1 P1",
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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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},
{
"id": "jvasp-91897",
"created_at": "2022-09-04T14:36:19.728857Z",
"updated_at": "2022-09-04T14:36:19.728876Z",
"structure_string": "Sr1 Mg6 Nb1\n1.0\n6.318287 -1.693638 0.000000\n-4.625878 8.012255 0.000000\n0.000000 0.000000 4.522789\nSr Mg Nb\n1 6 1\ndirect\n0.249984 0.374991 0.250000 Sr\n0.750005 0.375021 0.250000 Mg\n0.750005 0.874981 0.250000 Mg\n0.250015 0.097612 0.750000 Mg\n0.250014 0.652402 0.750000 Mg\n0.695091 0.097546 0.750000 Mg\n0.804866 0.652432 0.750000 Mg\n0.250022 0.875010 0.250000 Nb\n",
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},
{
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"created_at": "2022-09-04T14:37:41.231041Z",
"updated_at": "2022-09-04T14:37:41.231074Z",
"structure_string": "Yb1 Pm1 Ag2\n1.0\n-0.000000 3.643874 3.643874\n3.643874 -0.000000 3.643874\n3.643874 3.643874 -0.000000\nYb Pm Ag\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Yb\n0.250000 0.250000 0.250000 Pm\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n",
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},
{
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"created_at": "2022-09-04T14:38:51.445794Z",
"updated_at": "2022-09-04T14:38:51.445814Z",
"structure_string": "Zr6 Fe1 Cl15\n1.0\n8.336808 -0.000000 -2.947507\n-4.168404 7.219888 -2.947507\n-0.000000 -0.000000 8.842520\nZr Fe Cl\n6 1 15\ndirect\n0.759315 0.759314 -0.000000 Zr\n0.240686 0.000000 0.240686 Zr\n0.000000 0.240686 0.240686 Zr\n0.240686 0.240686 -0.000000 Zr\n0.759314 0.000000 0.759314 Zr\n0.000000 0.759314 0.759314 Zr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 -0.000000 Cl\n0.500143 0.750072 0.750071 Cl\n0.750072 0.500142 0.750071 Cl\n0.750072 0.750072 0.500142 Cl\n0.499858 0.249928 0.249928 Cl\n0.249928 0.000000 0.750072 Cl\n0.750072 0.249928 -0.000000 Cl\n0.000000 0.249928 0.750072 Cl\n0.249929 0.499858 0.249928 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.750072 0.249928 Cl\n0.750072 0.000000 0.249928 Cl\n0.249929 0.249928 0.499858 Cl\n0.249929 0.750072 -0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n",
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}