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{
"id": "jvasp-108909",
"created_at": "2022-09-04T14:38:10.765831Z",
"updated_at": "2022-09-04T14:38:10.765849Z",
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{
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{
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"structure_string": "Sr2 Bi4 Pd4\n1.0\n0.000000 4.982566 -0.015401\n4.834349 0.000000 0.000000\n0.000000 -0.387457 -10.842775\nSr Bi Pd\n2 4 4\ndirect\n0.735036 0.250000 0.237301 Sr\n0.264964 0.750000 0.762699 Sr\n0.799073 0.250000 0.880855 Bi\n0.200927 0.750000 0.119146 Bi\n0.751496 0.750000 0.496048 Bi\n0.248504 0.250000 0.503953 Bi\n0.753803 0.250000 0.630162 Pd\n0.246197 0.750000 0.369839 Pd\n0.316014 0.250000 0.000271 Pd\n0.683987 0.750000 -0.000271 Pd\n",
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"elements": [
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"density": 9.134368302646802,
"density_atomic": 0.03828428387042181,
"volume": 261.2037888405152,
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"formula_full": "Sr2 Bi4 Pd4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 11
},
{
"id": "jvasp-107780",
"created_at": "2022-09-04T14:38:14.529326Z",
"updated_at": "2022-09-04T14:38:14.529350Z",
"structure_string": "Li2 Cu1 O2\n1.0\n3.413523 -0.017908 0.728789\n2.236942 2.578479 0.728789\n-0.017502 -0.007931 5.271903\nLi Cu O\n2 1 2\ndirect\n0.827719 0.827720 0.645148 Li\n0.172280 0.172280 0.354852 Li\n0.499999 0.500000 0.000000 Cu\n0.892742 0.892742 0.258517 O\n0.107257 0.107257 0.741483 O\n",
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"elements": [
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"volume": 46.65280104241203,
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"formula_full": "Li2 Cu1 O2",
"formula_reduced": "Li2CuO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-16253",
"created_at": "2022-09-04T14:38:08.895417Z",
"updated_at": "2022-09-04T14:38:08.895432Z",
"structure_string": "Ho2 Al1 Si2\n1.0\n3.789844 0.000000 1.477458\n1.167750 4.794406 2.604006\n0.007774 0.015179 5.579472\nHo Al Si\n2 1 2\ndirect\n0.788327 0.711672 0.711672 Ho\n0.211671 0.288329 0.288329 Ho\n0.000000 0.000000 0.000000 Al\n0.499999 0.290132 0.709868 Si\n0.499999 0.709869 0.290132 Si\n",
"nsites": 5,
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"elements": [
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"density": 6.776881095765127,
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"spacegroup": 71
},
{
"id": "jvasp-10284",
"created_at": "2022-09-04T14:38:08.112719Z",
"updated_at": "2022-09-04T14:38:08.112739Z",
"structure_string": "Na4 Co2 S4\n1.0\n5.034399 -0.000000 -2.284247\n-1.276131 5.431682 -2.812549\n0.166520 0.099314 7.056946\nNa Co S\n4 2 4\ndirect\n0.144476 0.482990 0.288952 Na\n0.855524 0.517008 0.711047 Na\n0.355524 0.194037 0.711047 Na\n0.644476 0.805962 0.288952 Na\n0.250000 0.000000 -0.000000 Co\n0.750000 0.000000 -0.000000 Co\n0.611255 0.321441 0.222509 S\n0.388745 0.678557 0.777491 S\n0.888745 0.098932 0.777491 S\n0.111255 0.901067 0.222509 S\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.8535943700627078,
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"volume": 196.7357841367387,
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"formula_full": "Na4 Co2 S4",
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{
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"created_at": "2022-09-04T14:38:17.812085Z",
"updated_at": "2022-09-04T14:38:17.812103Z",
"structure_string": "Rb4 Co2 S4\n1.0\n5.572685 0.000000 -2.336900\n-1.259617 6.129590 -3.003745\n0.075452 0.002114 7.992827\nRb Co S\n4 2 4\ndirect\n0.647946 0.809586 0.295893 Rb\n0.352054 0.190413 0.704108 Rb\n0.852054 0.513693 0.704108 Rb\n0.147946 0.486306 0.295893 Rb\n0.250000 -0.000000 0.000000 Co\n0.750001 -0.000000 0.000000 Co\n0.403588 0.727984 0.807178 S\n0.596412 0.272015 0.192823 S\n0.096411 0.920807 0.192823 S\n0.903588 0.079192 0.807178 S\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.5616116792504093,
"density_atomic": 0.03647723602458658,
"volume": 274.1435780183495,
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"formula_full": "Rb4 Co2 S4",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-12216",
"created_at": "2022-09-04T14:38:10.940221Z",
"updated_at": "2022-09-04T14:38:10.940241Z",
"structure_string": "Li4 Ni2 O4\n1.0\n3.123546 -0.000000 0.000000\n-1.561773 2.705070 -0.000000\n-0.000000 -0.000000 9.942119\nLi Ni O\n4 2 4\ndirect\n0.666666 0.333332 0.176901 Li\n0.333335 0.666667 0.823099 Li\n0.333335 0.666667 0.323100 Li\n0.666666 0.333332 0.676901 Li\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333335 0.666667 0.617603 O\n0.666666 0.333332 0.882397 O\n0.333335 0.666667 0.117603 O\n0.666666 0.333332 0.382397 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.13426463925559,
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"volume": 84.00504544852205,
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"formula_full": "Li4 Ni2 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-40491",
"created_at": "2022-09-04T14:38:15.514554Z",
"updated_at": "2022-09-04T14:38:15.514571Z",
"structure_string": "Ge4 N4 O2\n1.0\n0.000000 3.096473 0.000262\n4.728414 0.000000 0.000000\n0.000000 -1.547893 -8.857876\nGe N O\n4 4 2\ndirect\n0.441178 0.733012 0.882309 Ge\n0.206213 -0.013458 0.412431 Ge\n0.793787 0.486542 0.587570 Ge\n0.558822 0.233012 0.117691 Ge\n0.111119 0.150137 0.222258 N\n0.279741 0.278805 0.559493 N\n0.720259 0.778804 0.440508 N\n0.888882 0.650136 0.777743 N\n0.464061 0.101504 0.928149 O\n0.535939 0.601504 0.071851 O\n",
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],
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"density_atomic": 0.07710704024667679,
"volume": 129.68984372903597,
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"formula_full": "Ge4 N4 O2",
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"spacegroup": 36
},
{
"id": "jvasp-12394",
"created_at": "2022-09-04T14:38:12.458299Z",
"updated_at": "2022-09-04T14:38:12.458328Z",
"structure_string": "Dy4 In2 Au4\n1.0\n7.933365 0.000000 0.000000\n0.000000 7.933365 0.000000\n0.000000 0.000000 3.716459\nDy In Au\n4 2 4\ndirect\n0.330951 0.830952 0.500000 Dy\n0.830952 0.669049 0.500000 Dy\n0.669049 0.169049 0.500000 Dy\n0.169049 0.330951 0.500000 Dy\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.129506 0.629506 0.000000 Au\n0.629506 0.870495 0.000000 Au\n0.370495 0.129506 0.000000 Au\n0.870495 0.370495 0.000000 Au\n",
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"volume": 233.90753798012656,
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"formula_full": "Dy4 In2 Au4",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-110304",
"created_at": "2022-09-04T14:38:18.256313Z",
"updated_at": "2022-09-04T14:38:18.256324Z",
"structure_string": "Mn4 Ni2 N4\n1.0\n2.839083 -0.000000 0.000000\n0.000000 2.839119 0.000000\n-0.000000 -0.000000 11.603429\nMn Ni N\n4 2 4\ndirect\n0.250022 0.250000 0.909848 Mn\n0.250022 0.250000 0.590153 Mn\n0.749977 0.750000 0.090152 Mn\n0.749977 0.750000 0.409848 Mn\n0.249852 0.250000 0.250000 Ni\n0.750147 0.750000 0.750000 Ni\n0.249974 0.250000 0.411040 N\n0.249974 0.250000 0.088960 N\n0.750025 0.750000 0.588960 N\n0.750025 0.750000 0.911040 N\n",
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{
"id": "jvasp-52097",
"created_at": "2022-09-04T14:38:19.595398Z",
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"structure_string": "Tb4 Fe2 Si4\n1.0\n4.033647 -0.000000 0.953209\n1.963267 5.285944 0.703236\n0.005625 -0.062907 8.987293\nTb Fe Si\n4 2 4\ndirect\n0.188913 0.728774 0.893400 Tb\n0.811088 0.271225 0.106600 Tb\n0.997865 0.332197 0.672074 Tb\n0.002136 0.667802 0.327926 Tb\n0.726743 0.923456 0.623058 Fe\n0.273257 0.076543 0.376942 Fe\n0.500719 0.126558 0.872003 Si\n0.499282 0.873441 0.127997 Si\n0.340901 0.752104 0.566095 Si\n0.659100 0.247894 0.433906 Si\n",
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"spacegroup": 12
}
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}