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{
"id": "jvasp-107489",
"created_at": "2022-09-04T14:37:17.079072Z",
"updated_at": "2022-09-04T14:37:17.079082Z",
"structure_string": "Er6 Fe1 Sb2\n1.0\n8.091224 0.000000 0.000000\n-4.045612 7.007205 0.000000\n-0.000000 -0.000000 4.070982\nEr Fe Sb\n6 1 2\ndirect\n0.232965 -0.000000 0.500000 Er\n0.000000 0.232965 0.500000 Er\n0.767035 0.767035 0.500000 Er\n0.606079 -0.000000 -0.000000 Er\n0.000000 0.606079 -0.000000 Er\n0.393921 0.393921 -0.000000 Er\n0.000000 0.000000 0.000000 Fe\n0.333334 0.666667 0.500000 Sb\n0.666667 0.333334 0.500000 Sb\n",
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{
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"structure_string": "Er6 Fe2 Si6\n1.0\n4.071110 0.000000 0.670524\n2.007176 5.187230 0.507568\n0.006074 -0.044655 12.657327\nEr Fe Si\n6 2 6\ndirect\n0.748736 0.732111 0.770417 Er\n0.251264 0.267890 0.229583 Er\n0.523761 0.332192 0.620286 Er\n0.476239 0.667809 0.379714 Er\n0.399152 0.282652 0.919044 Er\n0.600848 0.717349 0.080956 Er\n0.753060 0.078505 0.415375 Fe\n0.246940 0.921496 0.584625 Fe\n0.144793 0.254408 0.456005 Si\n0.855206 0.745593 0.543995 Si\n0.115566 0.844127 0.924741 Si\n0.884433 0.155875 0.075259 Si\n0.054279 0.133744 0.757697 Si\n0.945721 0.866257 0.242303 Si\n",
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"formula_full": "Er6 Fe2 Si6",
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"formula_anonymous": "AB3C3",
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},
{
"id": "jvasp-116552",
"created_at": "2022-09-04T14:38:52.635944Z",
"updated_at": "2022-09-04T14:38:52.635978Z",
"structure_string": "Er6 Ga2 Ni2 S14\n1.0\n9.437103 0.000000 0.000000\n-4.718552 8.172771 0.000000\n0.000000 -0.000000 6.167127\nEr Ga Ni S\n6 2 2 14\ndirect\n0.840175 0.624483 0.677332 Er\n0.784308 0.159825 0.677332 Er\n0.375517 0.215692 0.677332 Er\n0.159825 0.375517 0.177332 Er\n0.215692 0.840175 0.177332 Er\n0.624483 0.784308 0.177332 Er\n0.333333 0.666667 0.606164 Ga\n0.666667 0.333333 0.106164 Ga\n0.000000 0.000000 0.005979 Ni\n0.000000 0.000000 0.505979 Ni\n0.869241 0.104326 0.270925 S\n0.104326 0.235084 0.770925 S\n0.764916 0.869241 0.770925 S\n0.130759 0.895674 0.770925 S\n0.666667 0.333333 0.472671 S\n0.333333 0.666667 0.972671 S\n0.916862 0.438487 0.945969 S\n0.083138 0.561513 0.445968 S\n0.438487 0.521625 0.445968 S\n0.521625 0.083138 0.945969 S\n0.235084 0.130759 0.270925 S\n0.561513 0.478375 0.945969 S\n0.478375 0.916862 0.445968 S\n0.895674 0.764916 0.270925 S\n",
"nsites": 24,
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"elements": [
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"formula_full": "Er6 Ga2 Ni2 S14",
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"formula_anonymous": "ABC3D7",
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"spacegroup": 173
},
{
"id": "jvasp-27509",
"created_at": "2022-09-04T14:36:51.511023Z",
"updated_at": "2022-09-04T14:36:51.511054Z",
"structure_string": "Er6 Ga2 S12\n1.0\n6.403530 0.000000 0.000000\n0.000000 8.221038 -1.871063\n0.000000 0.086312 8.430830\nEr Ga S\n6 2 12\ndirect\n0.745579 0.283523 0.085732 Er\n0.745579 0.914269 0.716477 Er\n0.245579 0.085731 0.283523 Er\n0.837628 0.402812 0.597188 Er\n0.337628 0.597188 0.402812 Er\n0.245579 0.716477 0.914269 Er\n0.212280 0.201874 0.798126 Ga\n0.712280 0.798126 0.201874 Ga\n0.028140 0.100956 0.564701 S\n0.528140 0.899044 0.435300 S\n0.063085 0.039354 0.960645 S\n0.543043 0.630571 0.694946 S\n0.043043 0.369429 0.305055 S\n0.543043 0.305054 0.369429 S\n0.043043 0.694946 0.630571 S\n0.566083 0.218719 0.781281 S\n0.066083 0.781281 0.218720 S\n0.563085 0.960645 0.039355 S\n0.528140 0.564701 0.100956 S\n0.028140 0.435299 0.899044 S\n",
"nsites": 20,
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"elements": [
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"density": 5.702729038868788,
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},
{
"id": "jvasp-29663",
"created_at": "2022-09-04T14:38:31.364418Z",
"updated_at": "2022-09-04T14:38:31.364452Z",
"structure_string": "Er6 I7\n1.0\n3.897859 -0.000000 0.686500\n1.263222 10.123584 4.236619\n0.017402 0.130040 11.310233\nEr I\n6 7\ndirect\n0.870563 0.712341 0.546533 Er\n0.685818 0.006792 0.621570 Er\n0.237318 0.728670 0.796693 Er\n0.314181 0.993208 0.378430 Er\n0.762681 0.271330 0.203308 Er\n0.129437 0.287660 0.453467 Er\n0.387355 0.160248 0.065041 I\n0.833879 0.500473 0.831766 I\n0.166120 0.499526 0.168233 I\n0.612644 0.839752 0.934959 I\n0.953023 0.834364 0.259591 I\n0.500000 0.500000 0.500000 I\n0.046977 0.165635 0.740409 I\n",
"nsites": 13,
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"elements": [
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"I"
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"chemical_system": "Er-I",
"density": 7.073178510666557,
"density_atomic": 0.02926941707683013,
"volume": 444.1496038638531,
"volume_molar": 20.57485717666433,
"formula_full": "Er6 I7",
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"spacegroup": 12
},
{
"id": "jvasp-110784",
"created_at": "2022-09-04T14:38:47.851372Z",
"updated_at": "2022-09-04T14:38:47.851396Z",
"structure_string": "Er6 Mg2\n1.0\n6.880195 0.000000 0.000000\n-3.440098 5.958423 0.000000\n-0.000000 -0.000000 5.449569\nEr Mg\n6 2\ndirect\n0.169139 0.338277 0.250000 Er\n0.169138 0.830861 0.250000 Er\n0.661722 0.830861 0.250000 Er\n0.338277 0.169139 0.750000 Er\n0.830860 0.169139 0.750000 Er\n0.830860 0.661723 0.750000 Er\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666666 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Er-Mg",
"density": 7.820568084189401,
"density_atomic": 0.03580929348841259,
"volume": 223.40569222871414,
"volume_molar": 16.817256564831933,
"formula_full": "Er6 Mg2",
"formula_reduced": "Er3Mg",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-18333",
"created_at": "2022-09-04T14:38:04.800024Z",
"updated_at": "2022-09-04T14:38:04.800040Z",
"structure_string": "Er6 Mn1 Bi2\n1.0\n4.096807 -7.095876 0.000000\n4.096807 7.095876 -0.000000\n-0.000000 0.000000 4.198727\nEr Mn Bi\n6 1 2\ndirect\n0.231507 0.231507 0.000000 Er\n0.000000 0.388484 0.500000 Er\n0.388484 0.000000 0.500000 Er\n0.768494 0.000000 0.000000 Er\n0.000000 0.768494 0.000000 Er\n0.611517 0.611517 0.500000 Er\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.000000 Bi\n0.666667 0.333333 0.000000 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Mn",
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],
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"density": 10.043140132086398,
"density_atomic": 0.036867471518778686,
"volume": 244.11763620447343,
"volume_molar": 16.334564080242348,
"formula_full": "Er6 Mn1 Bi2",
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"formula_anonymous": "AB2C6",
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"spacegroup": 189
},
{
"id": "jvasp-90208",
"created_at": "2022-09-04T14:35:49.181350Z",
"updated_at": "2022-09-04T14:35:49.181381Z",
"structure_string": "Er6 Mn1 Te2\n1.0\n0.000000 0.000000 -3.994996\n-4.082046 -7.070312 0.000000\n-4.082458 7.070549 0.000000\nEr Mn Te\n6 1 2\ndirect\n0.500000 0.611173 0.000000 Er\n0.500000 0.388851 0.388860 Er\n0.500000 -0.000008 0.611141 Er\n0.000000 0.233215 0.000000 Er\n0.000000 0.766729 0.766701 Er\n0.000000 0.000028 0.233299 Er\n0.500000 0.999911 0.000001 Mn\n0.000000 0.333355 0.666709 Te\n0.000000 0.666647 0.333292 Te\n",
"nsites": 9,
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"elements": [
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],
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"density": 9.459118263094746,
"density_atomic": 0.0390256816231052,
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"formula_full": "Er6 Mn1 Te2",
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"formula_anonymous": "AB2C6",
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"spacegroup": 189
},
{
"id": "jvasp-23205",
"created_at": "2022-09-04T14:37:31.800372Z",
"updated_at": "2022-09-04T14:37:31.800403Z",
"structure_string": "Er6 Mn6 O18\n1.0\n2.908666 -5.037958 0.000000\n2.908666 5.037958 -0.000000\n-0.000000 0.000000 11.882419\nEr Mn O\n6 6 18\ndirect\n0.666668 0.333334 0.772422 Er\n0.333334 0.666668 0.272422 Er\n0.666668 0.333334 0.272422 Er\n0.333334 0.666668 0.772422 Er\n0.000000 0.000000 0.220830 Er\n0.000000 0.000000 0.720830 Er\n0.000000 0.663860 0.002197 Mn\n0.663860 0.663860 0.502197 Mn\n0.336141 0.000000 0.502197 Mn\n0.336141 0.336141 0.002197 Mn\n0.000000 0.336141 0.502197 Mn\n0.663860 0.000000 0.002197 Mn\n0.633344 0.000000 0.162566 O\n0.700960 0.000000 0.840874 O\n0.299041 0.000000 0.340874 O\n0.700961 0.700961 0.340874 O\n0.000000 0.700960 0.840874 O\n0.000000 0.366657 0.662566 O\n0.366657 0.366657 0.162566 O\n0.366657 0.000000 0.662566 O\n0.666668 0.333334 0.486737 O\n0.000000 0.633344 0.162566 O\n0.000000 0.000000 0.521942 O\n0.000000 0.000000 0.021942 O\n0.333334 0.666668 0.986737 O\n0.299041 0.299041 0.840874 O\n0.333334 0.666668 0.486737 O\n0.666668 0.333334 0.986737 O\n0.633344 0.633344 0.662566 O\n0.000000 0.299041 0.340874 O\n",
"nsites": 30,
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"elements": [
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],
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"density": 7.73027234127435,
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"spacegroup": 185
},
{
"id": "jvasp-22857",
"created_at": "2022-09-04T14:37:35.318325Z",
"updated_at": "2022-09-04T14:37:35.318347Z",
"structure_string": "Er6 Ni14 B4\n1.0\n2.520944 -4.366404 0.000000\n2.520944 4.366404 -0.000000\n0.000000 0.000000 14.270172\nEr Ni B\n6 14 4\ndirect\n0.666666 0.333332 0.532550 Er\n0.333332 0.666666 0.032550 Er\n0.333332 0.666666 0.467450 Er\n0.666666 0.333332 0.967450 Er\n0.333332 0.666666 0.250000 Er\n0.666666 0.333332 0.750000 Er\n0.165845 0.834153 0.648129 Ni\n0.834153 0.165845 0.148129 Ni\n0.834153 0.668307 0.351870 Ni\n0.331691 0.165845 0.148129 Ni\n0.834153 0.668307 0.148129 Ni\n0.668307 0.834153 0.851870 Ni\n0.165845 0.834153 0.851870 Ni\n0.331691 0.165845 0.351870 Ni\n0.165845 0.331691 0.851870 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.165845 0.331691 0.648129 Ni\n0.668307 0.834153 0.648129 Ni\n0.834153 0.165845 0.351870 Ni\n0.000000 0.000000 0.250000 B\n0.333332 0.666666 0.750000 B\n0.666666 0.333332 0.250000 B\n0.000000 0.000000 0.750000 B\n",
"nsites": 24,
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"elements": [
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],
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{
"id": "jvasp-113026",
"created_at": "2022-09-04T14:38:45.974233Z",
"updated_at": "2022-09-04T14:38:45.974254Z",
"structure_string": "Er6 O2 F20\n1.0\n6.997289 -0.000000 4.039887\n2.332430 6.597107 4.039887\n-0.000000 -0.000000 8.079774\nEr O F\n6 2 20\ndirect\n0.760569 0.239432 0.239432 Er\n0.239431 0.760569 0.760568 Er\n0.239431 0.760569 0.239432 Er\n0.760569 0.239432 0.760569 Er\n0.239431 0.239432 0.760568 Er\n0.760569 0.760569 0.239432 Er\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.830212 0.169789 0.500000 F\n0.112458 0.112458 0.112458 F\n0.887542 0.887542 0.887542 F\n0.887542 0.337376 0.887542 F\n0.112458 0.662625 0.112458 F\n0.887542 0.887542 0.337376 F\n0.169789 0.830212 0.500000 F\n0.112458 0.112458 0.662624 F\n0.500000 0.500000 0.169789 F\n0.169789 0.500000 0.830211 F\n0.830211 0.500000 0.169789 F\n0.500000 0.169789 0.500000 F\n0.662625 0.112458 0.112458 F\n0.500000 0.830212 0.500000 F\n0.500000 0.169789 0.830211 F\n0.500000 0.830212 0.169789 F\n0.169789 0.500000 0.500000 F\n0.830211 0.500000 0.500000 F\n0.500000 0.500000 0.830211 F\n0.337376 0.887542 0.887542 F\n",
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],
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"density_atomic": 0.07507156656195439,
"volume": 372.977430501499,
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"spacegroup": 225
},
{
"id": "jvasp-9124",
"created_at": "2022-09-04T14:37:27.982703Z",
"updated_at": "2022-09-04T14:37:27.982713Z",
"structure_string": "Er6 O9\n1.0\n3.446663 -0.000000 0.000000\n-1.723331 6.822645 -1.222853\n0.000000 -0.003495 8.530955\nEr O\n6 9\ndirect\n0.532722 0.065445 0.813798 Er\n0.467277 0.934555 0.186201 Er\n0.809107 0.618213 0.862710 Er\n0.190893 0.381787 0.137290 Er\n0.864859 0.729720 0.513094 Er\n0.135141 0.270280 0.486906 Er\n0.706863 0.413726 0.623294 O\n0.293137 0.586274 0.376706 O\n0.970543 0.941088 0.343453 O\n0.029457 0.058912 0.656547 O\n0.674592 0.349186 0.968841 O\n0.325407 0.650814 0.031159 O\n0.000000 0.000000 0.000000 O\n0.372336 0.744673 0.718162 O\n0.627663 0.255327 0.281837 O\n",
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"spacegroup": 12
}
]
}