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{
"id": "jvasp-35359",
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"structure_string": "Ho1 Cu4 Pd1\n1.0\n-3.528681 -3.528681 0.000000\n-3.528681 0.000000 -3.528681\n-0.000000 -3.528681 -3.528681\nHo Cu Pd\n1 4 1\ndirect\n0.750000 0.750000 0.750000 Ho\n0.374171 0.374171 0.374171 Cu\n0.877489 0.374171 0.374171 Cu\n0.374171 0.877489 0.374171 Cu\n0.374171 0.374171 0.877489 Cu\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Sr2 Tl1 Cd1\n1.0\n0.000000 4.033015 4.033015\n4.033015 0.000000 4.033015\n4.033015 4.033015 -0.000000\nSr Tl Cd\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.750001 0.750001 0.750001 Tl\n0.250001 0.250001 0.250001 Cd\n",
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{
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"structure_string": "Ti2 Cr1 Te4\n1.0\n0.000000 3.853992 0.000000\n0.023384 0.000000 6.869829\n6.399951 -1.926996 -3.318104\nTi Cr Te\n2 1 4\ndirect\n0.251899 0.291197 0.503800 Ti\n0.748099 0.708804 0.496199 Ti\n0.000000 0.000000 0.000000 Cr\n0.109557 0.449789 0.219115 Te\n0.890441 0.550211 0.780884 Te\n0.367574 0.033917 0.735151 Te\n0.632424 0.966083 0.264848 Te\n",
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},
{
"id": "jvasp-42114",
"created_at": "2022-09-04T14:37:31.699378Z",
"updated_at": "2022-09-04T14:37:31.699406Z",
"structure_string": "Pm1 Cd1 Au2\n1.0\n0.000004 3.536016 3.536017\n3.536016 0.000003 3.536017\n3.536015 3.536016 0.000004\nPm Cd Au\n1 1 2\ndirect\n0.750000 0.750000 0.750001 Pm\n0.249999 0.249999 0.249999 Cd\n0.500001 0.500001 0.500002 Au\n0.000000 0.000000 0.000000 Au\n",
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},
{
"id": "jvasp-53045",
"created_at": "2022-09-04T14:37:31.700173Z",
"updated_at": "2022-09-04T14:37:31.700197Z",
"structure_string": "Na2 Yb2 F8\n1.0\n5.631938 -0.004130 0.075010\n-0.004433 5.636262 -0.025752\n-2.747601 -2.836605 4.819519\nYb Na F\n2 2 8\ndirect\n0.014477 0.004839 -0.000479 Yb\n0.735397 0.245172 0.500473 Yb\n0.484925 0.494508 -0.001137 Na\n0.265193 0.755486 0.501147 Na\n0.370383 0.884467 0.241212 F\n0.878995 0.370133 0.259030 F\n0.100948 0.610703 0.723652 F\n0.649065 0.639296 0.776366 F\n0.871112 0.879976 0.241188 F\n0.650398 0.137120 0.776003 F\n0.099582 0.112863 0.723954 F\n0.379526 0.365432 0.258594 F\n",
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{
"id": "jvasp-35126",
"created_at": "2022-09-04T14:37:31.710365Z",
"updated_at": "2022-09-04T14:37:31.710380Z",
"structure_string": "Ca4 Ge2 O8\n1.0\n2.882366 -4.992403 0.000000\n2.882366 4.992403 -0.000000\n0.000000 0.000000 6.859932\nCa Ge O\n4 2 8\ndirect\n0.666668 0.333334 0.631809 Ca\n0.333334 0.666668 0.368191 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.186267 Ge\n0.333334 0.666668 0.813733 Ge\n0.666668 0.333334 0.935554 O\n0.333334 0.666668 0.064446 O\n0.344407 0.172204 0.296219 O\n0.827797 0.172204 0.296219 O\n0.827798 0.655595 0.296219 O\n0.655595 0.827798 0.703781 O\n0.172204 0.827797 0.703781 O\n0.172204 0.344407 0.703781 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.6468422881361326,
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{
"id": "jvasp-42066",
"created_at": "2022-09-04T14:37:31.728439Z",
"updated_at": "2022-09-04T14:37:31.728459Z",
"structure_string": "Pa1 Ti1 Tc2\n1.0\n0.000000 3.282413 3.282413\n3.282413 0.000000 3.282413\n3.282413 3.282413 0.000000\nPa Ti Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pa\n0.749999 0.749999 0.749999 Ti\n0.499999 0.499999 0.499999 Tc\n0.000000 0.000000 0.000000 Tc\n",
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"formula_full": "Pa1 Ti1 Tc2",
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{
"id": "jvasp-22966",
"created_at": "2022-09-04T14:37:31.737879Z",
"updated_at": "2022-09-04T14:37:31.737901Z",
"structure_string": "Hf6 Ge6 Pd6\n1.0\n0.000000 6.712825 -0.002119\n3.949926 0.000000 0.000000\n0.000000 -0.030710 -11.549904\nHf Ge Pd\n6 6 6\ndirect\n0.336564 0.250000 0.079940 Hf\n0.663437 0.750001 0.920059 Hf\n0.464699 0.250000 0.378272 Hf\n0.535301 0.750001 0.621728 Hf\n0.967005 0.250000 0.292282 Hf\n0.032996 0.750001 0.707718 Hf\n0.254031 0.750001 0.916384 Ge\n0.745970 0.250000 0.083615 Ge\n0.259343 0.750001 0.250184 Ge\n0.740658 0.250000 0.749815 Ge\n0.746419 0.750001 0.414944 Ge\n0.253581 0.250000 0.585056 Ge\n0.001984 0.750001 0.091044 Pd\n0.998017 0.250000 0.908956 Pd\n0.142313 0.750001 0.458760 Pd\n0.857687 0.250000 0.541240 Pd\n0.625044 0.750001 0.205795 Pd\n0.374957 0.250000 0.794205 Pd\n",
"nsites": 18,
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"density": 11.632260147704217,
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"volume": 306.2478326948404,
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"formula_full": "Hf6 Ge6 Pd6",
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"spacegroup": 11
},
{
"id": "jvasp-53148",
"created_at": "2022-09-04T14:37:31.751516Z",
"updated_at": "2022-09-04T14:37:31.751537Z",
"structure_string": "Al1 Sb1 O4\n1.0\n3.054517 0.000000 0.000000\n0.000000 4.541608 -0.056774\n0.000000 -0.056774 4.541608\nAl Sb O\n1 1 4\ndirect\n0.500000 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Sb\n0.000000 0.688347 0.688347 O\n0.500000 0.202582 0.797419 O\n0.500000 0.797419 0.202582 O\n0.000000 0.311655 0.311655 O\n",
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"formula_full": "Al1 Sb1 O4",
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},
{
"id": "jvasp-23323",
"created_at": "2022-09-04T14:37:31.727906Z",
"updated_at": "2022-09-04T14:37:31.727928Z",
"structure_string": "Mn4 Se8 O20\n1.0\n5.863616 -0.000000 0.000000\n-0.000000 6.935945 0.000000\n0.000000 0.000000 9.901159\nMn Se O\n4 8 20\ndirect\n0.250000 0.000000 0.057414 Mn\n0.750001 0.500000 0.442586 Mn\n0.750001 0.000000 0.942586 Mn\n0.250000 0.500000 0.557414 Mn\n0.510716 0.367685 0.155823 Se\n0.489284 0.867684 0.344177 Se\n0.989285 0.632315 0.155823 Se\n0.010716 0.132315 0.344177 Se\n0.989285 0.867684 0.655823 Se\n0.510716 0.132315 0.655823 Se\n0.010716 0.367685 0.844177 Se\n0.489284 0.632315 0.844177 Se\n0.648552 0.184383 0.806385 O\n0.451707 0.860319 0.924174 O\n0.951707 0.639680 0.575827 O\n0.451707 0.639680 0.424173 O\n0.951707 0.860319 0.075827 O\n0.548294 0.139680 0.075827 O\n0.048293 0.360319 0.424173 O\n0.148552 0.315617 0.693615 O\n0.851449 0.815617 0.806385 O\n0.250000 0.500000 0.932689 O\n0.851449 0.684382 0.306385 O\n0.351448 0.815617 0.193615 O\n0.148552 0.184383 0.193615 O\n0.648552 0.315617 0.306385 O\n0.048293 0.139680 0.924174 O\n0.750001 0.000000 0.567311 O\n0.750001 0.500000 0.067311 O\n0.250000 0.000000 0.432689 O\n0.351448 0.684382 0.693615 O\n0.548294 0.360319 0.575827 O\n",
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"formula_full": "Mn4 Se8 O20",
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{
"id": "jvasp-36509",
"created_at": "2022-09-04T14:37:31.729169Z",
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"structure_string": "Cd10 S8 Cl4\n1.0\n6.631685 -0.000180 -0.000039\n-3.315465 -9.523384 0.127907\n-3.315603 1.052777 -9.466112\nCd S Cl\n10 8 4\ndirect\n0.000207 0.750061 0.249945 Cd\n0.999793 0.249938 0.750055 Cd\n0.304715 0.055088 0.554504 Cd\n0.695178 0.445185 0.945237 Cd\n0.695285 0.944911 0.445496 Cd\n0.304822 0.554814 0.054762 Cd\n0.404564 0.601187 0.601266 Cd\n0.595436 0.398812 0.398734 Cd\n0.202366 0.898697 0.898630 Cd\n0.797634 0.101303 0.101370 Cd\n0.049428 0.694765 0.017460 S\n0.950303 0.982355 0.305242 S\n0.336998 0.805243 0.482578 S\n0.662951 0.517634 0.194759 S\n0.337049 0.482365 0.805240 S\n0.049697 0.017644 0.694758 S\n0.663002 0.194756 0.517422 S\n0.950572 0.305234 0.982540 S\n0.806924 0.608771 0.608592 Cl\n0.589930 0.891284 0.891514 Cl\n0.410069 0.108715 0.108486 Cl\n0.193076 0.391228 0.391408 Cl\n",
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{
"id": "jvasp-41790",
"created_at": "2022-09-04T14:37:31.732255Z",
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"structure_string": "Li1 Pm2 Ga1\n1.0\n0.000000 3.663471 3.663471\n3.663471 -0.000000 3.663471\n3.663471 3.663471 0.000000\nLi Pm Ga\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Li\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Ga\n",
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}
]
}