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{
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"structure_string": "Pr4 Al4 Pt4\n1.0\n4.506604 0.000000 0.000000\n0.000000 7.247377 0.000000\n0.000000 0.000000 7.894258\nPr Al Pt\n4 4 4\ndirect\n0.250000 0.527923 0.182051 Pr\n0.250000 0.027923 0.317950 Pr\n0.749999 0.972078 0.682051 Pr\n0.749999 0.472077 0.817950 Pr\n0.250000 0.147266 0.931374 Al\n0.749999 0.352734 0.431373 Al\n0.250000 0.647266 0.568627 Al\n0.749999 0.852734 0.068627 Al\n0.250000 0.786521 0.890980 Pt\n0.250000 0.286520 0.609021 Pt\n0.749999 0.713480 0.390980 Pt\n0.749999 0.213480 0.109020 Pt\n",
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{
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"created_at": "2022-09-04T14:35:54.083828Z",
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"structure_string": "Ti4 Si4\n1.0\n3.651049 -0.000000 0.000000\n-0.000000 5.025329 0.000000\n0.000000 0.000000 6.574247\nTi Si\n4 4\ndirect\n0.250000 0.371517 0.675953 Ti\n0.750000 0.628483 0.324047 Ti\n0.750000 0.871517 0.824047 Ti\n0.250000 0.128483 0.175953 Ti\n0.250000 0.852788 0.545182 Si\n0.750000 0.147213 0.454818 Si\n0.750000 0.352788 0.954818 Si\n0.250000 0.647213 0.045182 Si\n",
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{
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"structure_string": "K4 Pd8 F20\n1.0\n6.104313 0.000000 0.000000\n0.000000 7.487439 0.000000\n0.000000 0.000000 10.727214\nK Pd F\n4 8 20\ndirect\n0.483793 0.750000 0.865531 K\n0.983793 0.750000 0.634468 K\n0.516206 0.250000 0.134468 K\n0.016207 0.250000 0.365532 K\n0.309556 0.750000 0.213755 Pd\n0.690444 0.250000 0.786245 Pd\n0.190444 0.250000 0.713755 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.809555 0.750000 0.286245 Pd\n0.179273 0.066910 0.579674 F\n0.679272 0.433090 0.920326 F\n0.820727 0.566910 0.420326 F\n0.320727 0.933090 0.079674 F\n0.708648 0.053829 0.661120 F\n0.549554 0.250000 0.399543 F\n0.049555 0.250000 0.100456 F\n0.679272 0.066910 0.920326 F\n0.179273 0.433090 0.579674 F\n0.320727 0.566910 0.079674 F\n0.820727 0.933090 0.420326 F\n0.208648 0.053829 0.838880 F\n0.708648 0.446172 0.661120 F\n0.791352 0.553829 0.161120 F\n0.291352 0.946172 0.338880 F\n0.791352 0.946172 0.161120 F\n0.291352 0.553829 0.338880 F\n0.208648 0.446172 0.838880 F\n0.950445 0.750000 0.899543 F\n0.450445 0.750000 0.600456 F\n",
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{
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"structure_string": "Zr4 Au16\n1.0\n4.951877 0.000000 0.000000\n0.000000 5.105352 0.000000\n0.000000 0.000000 14.564229\nZr Au\n4 16\ndirect\n0.250000 0.657149 0.098336 Zr\n0.750001 0.842851 0.598336 Zr\n0.750001 0.342851 0.901664 Zr\n0.250000 0.157149 0.401664 Zr\n0.750001 0.824464 0.196327 Au\n0.250000 0.675536 0.696327 Au\n0.250000 0.659093 0.899479 Au\n0.750001 0.840907 0.399479 Au\n0.750001 0.340907 0.100521 Au\n0.250000 0.159093 0.600521 Au\n0.250000 0.657282 0.298537 Au\n0.750001 0.342718 0.701463 Au\n0.750001 0.324464 0.303673 Au\n0.250000 0.157282 0.201463 Au\n0.250000 0.661483 0.499487 Au\n0.750001 0.838517 0.999487 Au\n0.750001 0.338517 0.500513 Au\n0.250000 0.161483 0.000513 Au\n0.750001 0.842718 0.798537 Au\n0.250000 0.175536 0.803673 Au\n",
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"structure_string": "Zr4 Te4\n1.0\n3.813784 -0.000000 0.000000\n0.000000 7.009831 0.000000\n0.000000 0.000000 7.452255\nZr Te\n4 4\ndirect\n0.749999 0.311697 0.991644 Zr\n0.749999 0.188303 0.491645 Zr\n0.250000 0.688303 0.008355 Zr\n0.250000 0.811697 0.508355 Zr\n0.250000 0.425844 0.708377 Te\n0.749999 0.574156 0.291622 Te\n0.250000 0.074156 0.208378 Te\n0.749999 0.925844 0.791622 Te\n",
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{
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"structure_string": "K4 Ga4 H16\n1.0\n5.524109 -0.000000 0.000000\n-0.000000 7.186636 0.000000\n0.000000 0.000000 8.886805\nK Ga H\n4 4 16\ndirect\n0.250000 0.333777 0.678365 K\n0.250000 0.166224 0.178365 K\n0.750000 0.666224 0.321635 K\n0.750000 0.833777 0.821635 K\n0.250000 0.690049 0.067831 Ga\n0.250000 0.809952 0.567831 Ga\n0.750000 0.309951 0.932168 Ga\n0.750000 0.190049 0.432168 Ga\n0.484264 0.678474 0.583556 H\n0.015737 0.821527 0.083557 H\n0.015737 0.678474 0.583556 H\n0.484264 0.821527 0.083557 H\n0.515737 0.321527 0.416443 H\n0.984264 0.178474 0.916443 H\n0.750000 0.045890 0.295212 H\n0.750000 0.091321 0.592503 H\n0.250000 0.954111 0.704788 H\n0.250000 0.545890 0.204788 H\n0.515737 0.178474 0.916443 H\n0.750000 0.408679 0.092503 H\n0.250000 0.908679 0.407497 H\n0.250000 0.591322 0.907497 H\n0.750000 0.454111 0.795212 H\n0.984264 0.321527 0.416443 H\n",
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"volume": 352.80403106397,
"volume_molar": 8.852648065677666,
"formula_full": "K4 Ga4 H16",
"formula_reduced": "KGaH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6115500541666672,
"spacegroup": 62
},
{
"id": "jvasp-85558",
"created_at": "2022-09-04T14:35:55.348177Z",
"updated_at": "2022-09-04T14:35:55.348203Z",
"structure_string": "Ce4 Cu4\n1.0\n4.306860 0.000040 0.000393\n0.000048 6.074580 0.000225\n0.000270 -0.000298 6.237815\nCe Cu\n4 4\ndirect\n0.750010 0.895068 0.883152 Ce\n0.249990 0.395087 0.616845 Ce\n0.249991 0.104932 0.116849 Ce\n0.750012 0.604912 0.383154 Ce\n0.250010 0.599219 0.068081 Cu\n0.749991 0.400780 0.931919 Cu\n0.250009 0.900796 0.568046 Cu\n0.749992 0.099203 0.431953 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Cu"
],
"chemical_system": "Ce-Cu",
"density": 8.289142258345809,
"density_atomic": 0.049020810437561714,
"volume": 163.19599632465642,
"volume_molar": 12.284865766694045,
"formula_full": "Ce4 Cu4",
"formula_reduced": "CeCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.5372682000000001,
"spacegroup": 62
}
]
}