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{
"id": "jvasp-22210",
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"structure_string": "Lu4 Co6 Si10\n1.0\n5.159105 -0.002075 -1.773861\n-2.855305 7.229488 -0.490442\n-0.011700 0.014164 7.788354\nLu Co Si\n4 6 10\ndirect\n0.233656 0.870327 0.594401 Lu\n0.766343 0.129672 0.405599 Lu\n0.733657 0.594400 0.870327 Lu\n0.266343 0.405599 0.129673 Lu\n0.873990 0.539167 0.260395 Co\n0.250000 0.003626 0.996373 Co\n0.373990 0.260394 0.539167 Co\n0.126011 0.460832 0.739605 Co\n0.626010 0.739605 0.460832 Co\n0.750000 0.996373 0.003627 Co\n0.250000 0.771566 0.228434 Si\n0.667950 0.262975 0.067851 Si\n0.167949 0.067850 0.262976 Si\n0.750000 0.786506 0.213494 Si\n0.250000 0.213494 0.786506 Si\n0.750000 0.488732 0.511267 Si\n0.250000 0.511267 0.488733 Si\n0.750000 0.228433 0.771566 Si\n0.832050 0.932149 0.737024 Si\n0.332050 0.737024 0.932149 Si\n",
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{
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"structure_string": "Si12 N8\n1.0\n6.713527 -0.000000 0.000000\n-0.000000 6.713527 -0.000000\n0.000000 -0.000000 6.713527\nSi N\n12 8\ndirect\n0.821627 0.821627 0.500000 Si\n0.178374 0.500000 0.178374 Si\n0.821627 0.500000 0.821627 Si\n0.821627 0.500000 0.178374 Si\n0.500000 0.821627 0.821627 Si\n0.500000 0.178374 0.178374 Si\n0.178374 0.500000 0.821627 Si\n0.500000 0.821627 0.178374 Si\n0.821627 0.178374 0.500000 Si\n0.178374 0.821627 0.500000 Si\n0.178374 0.178374 0.500000 Si\n0.500000 0.178374 0.821627 Si\n0.721131 0.278869 0.278869 N\n0.721132 0.721132 0.278869 N\n0.278869 0.278869 0.278869 N\n0.278869 0.721132 0.721132 N\n0.721132 0.278869 0.721132 N\n0.278869 0.278869 0.721131 N\n0.721131 0.721131 0.721131 N\n0.278869 0.721131 0.278869 N\n",
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{
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"updated_at": "2022-09-04T14:37:57.813112Z",
"structure_string": "Mg4 Al2 B4 Ir10\n1.0\n9.466933 -0.000000 0.000000\n-0.000000 9.466933 0.000000\n0.000000 -0.000000 2.941330\nMg Al B Ir\n4 2 4 10\ndirect\n0.176334 0.676333 0.000000 Mg\n0.323666 0.176334 0.000000 Mg\n0.676333 0.823666 0.000000 Mg\n0.823666 0.323666 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.626138 0.126138 0.000000 B\n0.873862 0.626138 0.000000 B\n0.126138 0.373862 0.000000 B\n0.373862 0.873862 0.000000 B\n0.786518 0.071326 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.071326 0.213481 0.500000 Ir\n0.213481 0.928674 0.500000 Ir\n0.286519 0.428674 0.500000 Ir\n0.428674 0.713481 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.571326 0.286519 0.500000 Ir\n0.713481 0.571326 0.500000 Ir\n0.928674 0.786518 0.500000 Ir\n",
"nsites": 20,
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"formula_full": "Mg4 Al2 B4 Ir10",
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{
"id": "jvasp-50037",
"created_at": "2022-09-04T14:37:35.773307Z",
"updated_at": "2022-09-04T14:37:35.773328Z",
"structure_string": "Ba4 Y2 Cl14\n1.0\n8.220531 4.057560 -0.311389\n-8.220531 4.057560 0.311389\n-5.916851 0.000000 8.161308\nBa Y Cl\n4 2 14\ndirect\n0.311084 0.680986 0.730778 Ba\n0.319014 0.688916 0.230777 Ba\n0.680986 0.311084 0.769222 Ba\n0.688916 0.319014 0.269222 Ba\n0.974875 0.974874 0.750000 Y\n0.025126 0.025126 0.250000 Y\n0.931888 0.760500 0.066608 Cl\n0.888811 0.634640 0.454928 Cl\n0.390788 0.390788 0.250000 Cl\n0.239500 0.068112 0.566608 Cl\n0.634640 0.888811 0.045072 Cl\n0.365360 0.111189 0.954928 Cl\n0.111189 0.365360 0.545072 Cl\n0.609212 0.609212 0.750000 Cl\n0.690978 0.069513 0.647570 Cl\n0.068112 0.239500 0.933393 Cl\n0.309022 0.930487 0.352430 Cl\n0.069513 0.690978 0.852430 Cl\n0.760500 0.931888 0.433393 Cl\n0.930487 0.309022 0.147570 Cl\n",
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{
"id": "jvasp-35187",
"created_at": "2022-09-04T14:37:57.744816Z",
"updated_at": "2022-09-04T14:37:57.744829Z",
"structure_string": "Si2 P4 O14\n1.0\n0.000000 4.338319 0.005386\n7.196219 0.000000 0.000000\n0.000000 -1.510026 -6.156225\nSi P O\n2 4 14\ndirect\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.886291 0.111676 0.682591 P\n0.113708 0.611676 0.817410 P\n0.113709 0.888324 0.317409 P\n0.886291 0.388324 0.182591 P\n0.188258 0.356499 0.360858 O\n0.811742 0.856499 0.139142 O\n0.811741 0.643501 0.639143 O\n0.188258 0.143501 0.860858 O\n0.735948 0.207033 0.090480 O\n0.264051 0.707033 0.409520 O\n0.648303 0.510832 0.261254 O\n0.735948 0.292967 0.590480 O\n-0.000000 0.000000 0.500000 O\n0.351697 0.010832 0.238746 O\n0.351697 0.489168 0.738746 O\n0.648302 0.989168 0.761254 O\n0.264051 0.792967 0.909520 O\n0.000000 0.500000 0.000000 O\n",
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"density_atomic": 0.10409309657415347,
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"spacegroup": 14
},
{
"id": "jvasp-23543",
"created_at": "2022-09-04T14:37:35.756138Z",
"updated_at": "2022-09-04T14:37:35.756157Z",
"structure_string": "U4 Co6 Si10\n1.0\n5.243029 0.000000 2.004544\n2.244769 7.212837 1.987676\n0.018307 -0.022911 7.811147\nU Co Si\n4 6 10\ndirect\n0.863506 0.869101 0.403887 U\n0.636494 0.596113 0.130899 U\n0.363506 0.403888 0.869101 U\n0.136494 0.130899 0.596113 U\n0.140275 0.473205 0.246246 Co\n0.250000 -0.000000 -0.000000 Co\n0.640275 0.246246 0.473205 Co\n0.359725 0.753754 0.526795 Co\n0.859726 0.526795 0.753754 Co\n0.750000 -0.000000 -0.000000 Co\n0.101818 0.743368 0.052997 Si\n0.750000 0.500000 0.500000 Si\n0.976830 0.773171 0.773170 Si\n0.476830 0.773171 0.773171 Si\n0.023171 0.226830 0.226830 Si\n0.601818 0.052997 0.743368 Si\n0.398183 0.947004 0.256632 Si\n0.898183 0.256632 0.947003 Si\n0.250000 0.500000 0.500000 Si\n0.523171 0.226830 0.226829 Si\n",
"nsites": 20,
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"elements": [
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],
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"density": 8.922669802686336,
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"volume": 295.26601450610167,
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{
"id": "jvasp-20199",
"created_at": "2022-09-04T14:37:49.945224Z",
"updated_at": "2022-09-04T14:37:49.945258Z",
"structure_string": "Nd8 C12\n1.0\n7.035394 0.000000 -2.487387\n-3.517697 6.092830 -2.487387\n-0.000000 -0.000000 7.462162\nNd C\n8 12\ndirect\n0.103979 0.103979 0.103979 Nd\n-0.000000 0.896021 0.499999 Nd\n0.500000 0.000000 0.896021 Nd\n-0.000000 0.396021 0.500000 Nd\n0.500000 0.000000 0.396021 Nd\n0.396021 0.500000 -0.000000 Nd\n0.603978 0.603979 0.603978 Nd\n0.896020 0.500000 -0.000001 Nd\n0.798278 0.048279 0.749999 C\n0.048279 0.750000 0.798278 C\n0.749999 0.798279 0.048278 C\n0.701720 0.451721 0.249999 C\n0.250000 0.701721 0.451720 C\n0.951720 0.201721 0.749999 C\n0.201721 0.750000 0.951720 C\n0.548278 0.298279 0.249999 C\n0.298279 0.250000 0.548278 C\n0.749999 0.951721 0.201720 C\n0.250000 0.548279 0.298278 C\n0.451721 0.250000 0.701720 C\n",
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"volume": 319.8690039263585,
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},
{
"id": "jvasp-37764",
"created_at": "2022-09-04T14:38:03.390395Z",
"updated_at": "2022-09-04T14:38:03.390413Z",
"structure_string": "Na6 Dy2 Cl12\n1.0\n0.000000 6.750266 -0.002178\n7.261327 0.000000 0.000000\n0.000000 -6.560373 -10.091726\nNa Dy Cl\n6 2 12\ndirect\n0.710387 0.913343 0.242904 Na\n0.289614 0.413343 0.257097 Na\n0.289615 0.086657 0.757097 Na\n0.710387 0.586657 0.742904 Na\n0.500001 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.246995 0.808446 0.578990 Cl\n0.753007 0.308446 0.921011 Cl\n0.388303 0.320360 0.569034 Cl\n0.611699 0.820360 0.930967 Cl\n0.611698 0.679640 0.430966 Cl\n0.094901 0.062581 0.241680 Cl\n0.094901 0.437419 0.741680 Cl\n0.905101 0.937419 0.758321 Cl\n0.246995 0.691554 0.078990 Cl\n0.905101 0.562581 0.258321 Cl\n0.388303 0.179640 0.069034 Cl\n0.753006 0.191554 0.421010 Cl\n",
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{
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"created_at": "2022-09-04T14:37:40.573746Z",
"updated_at": "2022-09-04T14:37:40.573756Z",
"structure_string": "K2 Cu8 As2 S8\n1.0\n0.000000 6.541521 -0.029325\n6.432837 0.000000 0.000000\n0.000000 -2.137219 -9.376326\nK Cu As S\n2 8 2 8\ndirect\n0.675795 0.028965 0.137966 K\n0.324205 0.528966 0.862035 K\n0.922561 0.909209 0.877228 Cu\n0.367931 0.032150 0.614071 Cu\n0.632069 0.532150 0.385930 Cu\n0.077439 0.409209 0.122773 Cu\n0.020850 0.665602 0.487467 Cu\n0.293947 0.381527 0.455690 Cu\n0.979150 0.165602 0.512534 Cu\n0.706053 0.881528 0.544310 Cu\n0.802755 0.384297 0.749861 As\n0.197245 0.884297 0.250140 As\n0.390233 0.620359 0.187246 S\n0.939574 0.399593 0.339840 S\n0.836595 0.587706 0.951328 S\n0.060426 0.899594 0.660161 S\n0.609767 0.120359 0.812755 S\n0.163405 0.087706 0.048673 S\n0.537876 0.582692 0.602689 S\n0.462124 0.082692 0.397312 S\n",
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{
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"created_at": "2022-09-04T14:37:58.339925Z",
"updated_at": "2022-09-04T14:37:58.339953Z",
"structure_string": "Na4 Ta4 O12\n1.0\n0.000000 5.240339 5.240339\n5.240455 -0.000000 5.240339\n0.000000 5.240339 -5.240339\nNa Ta O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.000000 0.500000 -0.000000 Ta\n0.069686 0.749999 0.680314 O\n0.680315 0.749999 0.069685 O\n0.069686 0.749999 0.069685 O\n0.930315 0.639370 0.319685 O\n0.069686 0.360629 0.680314 O\n0.319685 0.250000 0.319685 O\n0.930315 0.250000 0.319685 O\n0.319685 0.250000 0.930315 O\n0.680315 0.749999 0.680314 O\n0.680314 0.139370 0.069686 O\n0.930315 0.250000 0.930315 O\n0.319686 0.860629 0.930314 O\n",
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{
"id": "jvasp-14063",
"created_at": "2022-09-04T14:37:35.265348Z",
"updated_at": "2022-09-04T14:37:35.265379Z",
"structure_string": "K4 Hg4 F12\n1.0\n6.453195 0.000000 0.000000\n0.000000 6.455041 0.000000\n0.000000 0.000000 9.128934\nK Hg F\n4 4 12\ndirect\n0.000000 0.000000 0.250000 K\n0.500000 0.500000 0.250000 K\n0.500000 0.500000 0.750000 K\n0.000000 0.000000 0.750000 K\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.250000 F\n0.500000 0.000000 0.250000 F\n0.750001 0.750000 0.500000 F\n0.750001 0.750000 0.000000 F\n0.250000 0.750000 0.500000 F\n0.750001 0.250000 0.000000 F\n0.250000 0.250000 0.500000 F\n0.250000 0.250000 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250000 0.750000 0.000000 F\n0.000000 0.500000 0.750000 F\n0.500000 0.000000 0.750000 F\n",
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{
"id": "jvasp-30762",
"created_at": "2022-09-04T14:37:57.996450Z",
"updated_at": "2022-09-04T14:37:57.996484Z",
"structure_string": "Zn2 Ge4 W2 O12\n1.0\n4.887977 -0.438758 0.616691\n0.445564 7.627465 1.603978\n-0.918950 0.980887 7.690441\nZn Ge W O\n2 4 2 12\ndirect\n0.750000 0.365962 0.634038 Zn\n0.250000 0.634038 0.365962 Zn\n0.709091 0.419975 0.197204 Ge\n0.790909 0.802795 0.580025 Ge\n0.290909 0.580025 0.802796 Ge\n0.209091 0.197204 0.419975 Ge\n0.750000 0.893678 0.106322 W\n0.250000 0.106322 0.893678 W\n0.535810 0.965828 0.857201 O\n0.964190 0.142799 0.034172 O\n0.562499 0.671957 0.176962 O\n0.937501 0.823038 0.328043 O\n0.437501 0.328043 0.823038 O\n0.962164 0.563493 0.675713 O\n0.037836 0.436507 0.324287 O\n0.462164 0.675713 0.563493 O\n0.035810 0.857200 0.965829 O\n0.537836 0.324286 0.436507 O\n0.062499 0.176962 0.671957 O\n0.464189 0.034172 0.142799 O\n",
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}
]
}