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{
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{
"id": "mp-998969",
"created_at": "2022-09-04T14:39:06.246651Z",
"structure_string": "Ti2 H2\n1.0\n1.438791 -2.492058 0.000000\n1.438791 2.492058 0.000000\n0.000000 0.000000 5.263294\nTi H\n2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
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{
"id": "mp-1212983",
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"structure_string": "Er16 Mg4 Ge16\n1.0\n7.172791 0.000000 0.000000\n0.000000 7.717218 0.000000\n0.000000 0.000000 14.458651\nEr Mg Ge\n16 4 16\ndirect\n0.008929 0.182689 0.094535 Er\n0.991071 0.817311 0.905465 Er\n0.491071 0.682689 0.905465 Er\n0.991071 0.817311 0.594535 Er\n0.508929 0.317311 0.094535 Er\n0.008929 0.182689 0.405465 Er\n0.508929 0.317311 0.405465 Er\n0.491071 0.682689 0.594535 Er\n0.330872 0.177223 0.626581 Er\n0.669128 0.822777 0.373419 Er\n0.169128 0.677223 0.373419 Er\n0.669128 0.822777 0.126581 Er\n0.830872 0.322777 0.626581 Er\n0.330872 0.177223 0.873419 Er\n0.830872 0.322777 0.873419 Er\n0.169128 0.677223 0.126581 Er\n0.160880 0.515712 0.750000 Mg\n0.839120 0.484288 0.250000 Mg\n0.339120 0.015712 0.250000 Mg\n0.660880 0.984288 0.750000 Mg\n0.024910 0.091646 0.750000 Ge\n0.975090 0.908354 0.250000 Ge\n0.475090 0.591646 0.250000 Ge\n0.524910 0.408354 0.750000 Ge\n0.172086 0.465892 0.536175 Ge\n0.827914 0.534108 0.463825 Ge\n0.327914 0.965892 0.463825 Ge\n0.827914 0.534108 0.036175 Ge\n0.672086 0.034108 0.536175 Ge\n0.172086 0.465892 0.963825 Ge\n0.672086 0.034108 0.963825 Ge\n0.327914 0.965892 0.036175 Ge\n0.289274 0.861059 0.750000 Ge\n0.710726 0.138941 0.250000 Ge\n0.210726 0.361059 0.250000 Ge\n0.789274 0.638941 0.750000 Ge\n",
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"density": 8.165518566525613,
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"volume": 800.3440491162744,
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"formula_full": "Er16 Mg4 Ge16",
"formula_reduced": "Er4MgGe4",
"formula_anonymous": "AB4C4",
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"updated_at": "2021-11-28T01:34:37.819000Z",
"spacegroup": 62
},
{
"id": "mp-1099299",
"created_at": "2022-09-04T14:39:06.246067Z",
"structure_string": "Mg6 Cd1 Sn1\n1.0\n3.130515 -5.590514 0.000000\n3.130515 5.590514 0.000000\n0.000000 0.000000 5.209602\nMg Cd Sn\n6 1 1\ndirect\n0.165632 0.336801 0.000000 Mg\n0.663199 0.834368 0.000000 Mg\n0.667210 0.332790 0.000000 Mg\n0.336502 0.170069 0.500000 Mg\n0.829931 0.663498 0.500000 Mg\n0.831544 0.168456 0.500000 Mg\n0.344467 0.655533 0.500000 Cd\n0.161514 0.838486 0.000000 Sn\n",
"nsites": 8,
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],
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"density": 3.432668996337232,
"density_atomic": 0.04387204890943289,
"volume": 182.34844733408218,
"volume_molar": 13.726600215166119,
"formula_full": "Mg6 Cd1 Sn1",
"formula_reduced": "Mg6CdSn",
"formula_anonymous": "ABC6",
"energy": -14.97371588,
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"updated_at": "2021-11-28T01:34:24.816000Z",
"spacegroup": 38
},
{
"id": "mp-1047801",
"created_at": "2022-09-04T14:39:06.244784Z",
"structure_string": "Mg2 P6 W6 O26\n1.0\n6.692321 0.000000 0.000000\n0.000000 7.919906 0.000000\n0.000000 1.603582 10.339989\nMg P W O\n2 6 6 26\ndirect\n0.750000 0.396099 0.181595 Mg\n0.250000 0.603901 0.818405 Mg\n0.250000 0.783798 0.508217 P\n0.750000 0.216202 0.491783 P\n0.250000 0.266490 0.765107 P\n0.750000 0.733510 0.234893 P\n0.750000 0.676117 0.896843 P\n0.250000 0.323883 0.103157 P\n0.250000 0.642655 0.206410 W\n0.750000 0.357345 0.793590 W\n0.250000 0.232286 0.434119 W\n0.500000 0.000000 0.000000 W\n0.750000 0.767714 0.565881 W\n0.000000 0.000000 0.000000 W\n0.750000 0.634544 0.754591 O\n0.568653 0.256847 0.397839 O\n0.250000 0.196065 0.639806 O\n0.551744 0.771494 0.910553 O\n0.750000 0.340271 0.592691 O\n0.750000 0.113614 0.897269 O\n0.250000 0.659729 0.407309 O\n0.051744 0.228506 0.089447 O\n0.250000 0.968228 0.436892 O\n0.750000 0.031772 0.563108 O\n0.072779 0.388285 0.784880 O\n0.250000 0.886386 0.102731 O\n0.572779 0.611715 0.215120 O\n0.750000 0.492036 0.977597 O\n0.750000 0.803935 0.360194 O\n0.448256 0.228506 0.089447 O\n0.931347 0.256847 0.397839 O\n0.431347 0.743153 0.602161 O\n0.427221 0.388285 0.784880 O\n0.250000 0.365456 0.245409 O\n0.750000 0.891117 0.123147 O\n0.250000 0.108883 0.876853 O\n0.927221 0.611715 0.215120 O\n0.948256 0.771494 0.910553 O\n0.068653 0.743153 0.602161 O\n0.250000 0.507964 0.022403 O\n",
"nsites": 40,
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"elements": [
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"W",
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"density": 5.312908011436249,
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"volume": 548.0458174923951,
"volume_molar": 8.251022639671184,
"formula_full": "Mg2 P6 W6 O26",
"formula_reduced": "MgP3W3O13",
"formula_anonymous": "AB3C3D13",
"energy": -334.15853917999993,
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"updated_at": "2021-11-28T01:34:26.331000Z",
"spacegroup": 11
},
{
"id": "mp-1187533",
"created_at": "2022-09-04T14:39:06.239863Z",
"structure_string": "Tl1 Ge1 O3\n1.0\n3.862735 0.000000 0.000000\n0.000000 3.862735 0.000000\n0.000000 0.000000 3.862735\nTl Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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],
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"density": 9.364324257859888,
"density_atomic": 0.0867531514416786,
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"formula_full": "Tl1 Ge1 O3",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:34:30.201000Z",
"spacegroup": 221
},
{
"id": "mp-1234431",
"created_at": "2022-09-04T14:39:06.235748Z",
"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.680400 -0.041729 -0.033151\n4.336658 7.520449 -0.034594\n4.334622 2.490152 7.094147\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.374803 0.375315 0.377177 Mg\n0.133779 0.133816 0.133369 Fe\n0.254004 0.254204 0.253239 Fe\n0.652226 0.651989 0.651974 Fe\n0.004924 0.005754 0.005808 Ni\n0.509321 0.508999 0.509039 Ni\n0.858346 0.858577 0.859221 Sb\n0.050274 0.747562 0.461558 P\n0.461753 0.050698 0.747821 P\n0.747062 0.462361 0.051727 P\n0.258373 0.555025 0.947904 P\n0.555025 0.948601 0.258242 P\n0.948487 0.257734 0.554788 P\n0.117773 0.305094 0.511866 O\n0.305990 0.511737 0.117221 O\n0.048494 0.900515 0.266776 O\n0.511659 0.117842 0.305950 O\n0.993550 0.845625 0.604662 O\n0.249072 0.605828 0.456818 O\n0.266951 0.048062 0.900400 O\n0.455779 0.249757 0.606477 O\n0.200270 0.393055 0.992649 O\n0.604824 0.455808 0.250623 O\n0.089036 0.752899 0.935725 O\n0.392977 0.993787 0.199859 O\n0.603765 0.995920 0.846285 O\n0.900094 0.267788 0.048513 O\n0.411557 0.583988 0.753185 O\n0.844229 0.604515 -0.000583 O\n0.584230 0.753618 0.410863 O\n0.752840 0.937016 0.088710 O\n0.753620 0.410799 0.583896 O\n0.993841 0.199692 0.392453 O\n0.532575 0.906647 0.656578 O\n0.936357 0.088451 0.752516 O\n0.657283 0.533979 0.906258 O\n0.906733 0.656634 0.530124 O\n",
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"formula_full": "Mg1 Fe3 Ni2 Sb1 P6 O24",
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{
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"structure_string": "Yb4 Ni4 Sn4\n1.0\n4.451372 0.000000 0.000000\n0.000000 7.162295 0.000000\n0.000000 0.000000 7.631562\nYb Ni Sn\n4 4 4\ndirect\n0.250000 0.975462 0.815764 Yb\n0.750000 0.024538 0.184236 Yb\n0.250000 0.475462 0.684236 Yb\n0.750000 0.524538 0.315764 Yb\n0.750000 0.293805 0.895718 Ni\n0.250000 0.206195 0.395718 Ni\n0.750000 0.793805 0.604282 Ni\n0.250000 0.706195 0.104282 Ni\n0.250000 0.832234 0.423970 Sn\n0.750000 0.667766 0.923970 Sn\n0.250000 0.332234 0.076030 Sn\n0.750000 0.167766 0.576030 Sn\n",
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"formula_full": "Yb4 Ni4 Sn4",
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{
"id": "mp-1217458",
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"structure_string": "Tb1 U1 Te6\n1.0\n2.193500 -12.718985 0.000000\n2.193500 12.718985 0.000000\n0.000000 0.000000 4.388837\nTb U Te\n1 1 6\ndirect\n0.167791 0.832209 0.500000 Tb\n0.834063 0.165937 0.000000 U\n0.425135 0.574865 0.000000 Te\n0.572097 0.427903 0.500000 Te\n0.707292 0.292708 0.000000 Te\n0.296750 0.703250 0.500000 Te\n0.071633 0.928367 0.000000 Te\n0.925240 0.074760 0.500000 Te\n",
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{
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{
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{
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]
}