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{
"id": "mp-1207622",
"created_at": "2022-09-04T14:46:07.619019Z",
"structure_string": "Yb10 Pt18\n1.0\n9.716151 0.000000 0.000000\n0.000000 9.716151 0.000000\n0.000000 0.000000 5.688120\nYb Pt\n10 18\ndirect\n0.453513 0.811905 0.000000 Yb\n0.546487 0.188095 0.000000 Yb\n0.188095 0.546487 0.000000 Yb\n0.811905 0.453513 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.311905 0.046487 0.500000 Yb\n0.688095 0.953513 0.500000 Yb\n0.953513 0.688095 0.500000 Yb\n0.046487 0.311905 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.189178 0.810822 0.251072 Pt\n0.810822 0.189178 0.748928 Pt\n0.810822 0.189178 0.251072 Pt\n0.189178 0.810822 0.748928 Pt\n0.438243 0.775624 0.500000 Pt\n0.561757 0.224376 0.500000 Pt\n0.224376 0.561757 0.500000 Pt\n0.775624 0.438243 0.500000 Pt\n0.310822 0.310822 0.248928 Pt\n0.689178 0.689178 0.751072 Pt\n0.689178 0.689178 0.248928 Pt\n0.310822 0.310822 0.751072 Pt\n0.275624 0.061757 0.000000 Pt\n0.724376 0.938243 0.000000 Pt\n0.938243 0.724376 0.000000 Pt\n0.061757 0.275624 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
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"formula_full": "Yb10 Pt18",
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},
{
"id": "mp-1212658",
"created_at": "2022-09-04T14:46:10.248548Z",
"structure_string": "Ga1 C6\n1.0\n5.390120 0.000000 0.000000\n0.000000 5.390120 0.000000\n0.000000 0.000000 5.390120\nGa C\n1 6\ndirect\n0.000000 0.000000 0.000000 Ga\n0.382570 0.000000 0.000000 C\n0.617430 0.000000 0.000000 C\n0.000000 0.382570 0.000000 C\n0.000000 0.617430 0.000000 C\n0.000000 0.000000 0.382570 C\n0.000000 0.000000 0.617430 C\n",
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"elements": [
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],
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"density": 1.50345634318892,
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"volume": 156.6012779888497,
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"formula_full": "Ga1 C6",
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"formula_anonymous": "AB6",
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"updated_at": "2021-11-28T01:37:19.583000Z",
"spacegroup": 221
},
{
"id": "mp-1044657",
"created_at": "2022-09-04T14:46:07.601158Z",
"structure_string": "Mg6 Cu12 O24\n1.0\n2.965341 -5.136120 0.000000\n2.965341 5.136120 0.000000\n0.000000 0.000000 14.473944\nMg Cu O\n6 12 24\ndirect\n0.333333 0.666667 0.954510 Mg\n0.000000 0.000000 0.623521 Mg\n0.000000 0.000000 0.998292 Mg\n0.666667 0.333333 0.289101 Mg\n0.333333 0.666667 0.711005 Mg\n0.000000 0.000000 0.374067 Mg\n0.833702 0.667403 0.833878 Cu\n0.332597 0.166298 0.833878 Cu\n0.500096 0.000191 0.500021 Cu\n0.833702 0.166298 0.833878 Cu\n0.666667 0.333333 0.666593 Cu\n0.999809 0.499904 0.500021 Cu\n0.167147 0.334293 0.165835 Cu\n0.500096 0.499904 0.500021 Cu\n0.167147 0.832853 0.165835 Cu\n0.333333 0.666667 0.334563 Cu\n0.665707 0.832853 0.165835 Cu\n0.666667 0.333333 0.044386 Cu\n0.692872 0.846436 0.908038 O\n0.000000 0.000000 0.758619 O\n0.153564 0.846436 0.908038 O\n0.153564 0.307128 0.908038 O\n0.517365 0.034729 0.755882 O\n0.364313 0.182156 0.579821 O\n0.517365 0.482635 0.755882 O\n0.666667 0.333333 0.912477 O\n0.817844 0.182156 0.579821 O\n0.666667 0.333333 0.426633 O\n0.965271 0.482635 0.755882 O\n0.817844 0.635687 0.579821 O\n0.181384 0.362769 0.420454 O\n0.033634 0.516817 0.246697 O\n0.181384 0.818616 0.420454 O\n0.333333 0.666667 0.573742 O\n0.333333 0.666667 0.092909 O\n0.483183 0.516817 0.246697 O\n0.637231 0.818616 0.420454 O\n0.483183 0.966366 0.246697 O\n0.843541 0.687083 0.090276 O\n0.000000 0.000000 0.237060 O\n0.843541 0.156459 0.090276 O\n0.312917 0.156459 0.090276 O\n",
"nsites": 42,
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"elements": [
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"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.867528141254233,
"density_atomic": 0.09526263769387375,
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"formula_full": "Mg6 Cu12 O24",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy": -237.15456501,
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"updated_at": "2021-11-28T01:37:21.714000Z",
"spacegroup": 156
},
{
"id": "mp-1246524",
"created_at": "2022-09-04T14:46:07.612184Z",
"structure_string": "Mg2 V2 Ni2 S8\n1.0\n6.257750 0.000066 3.613107\n2.053994 5.795336 3.668505\n0.035441 0.092928 7.164833\nMg V Ni S\n2 2 2 8\ndirect\n0.874612 0.875421 0.875421 Mg\n0.125390 0.124582 0.124581 Mg\n0.500002 0.500002 0.999997 V\n0.500000 0.999992 0.500011 V\n0.500003 0.500004 0.499992 Ni\n0.000003 0.499996 0.500006 Ni\n0.744930 0.734175 0.734082 S\n0.262561 0.274032 0.700784 S\n0.262477 0.700850 0.274124 S\n0.713189 0.265834 0.265915 S\n0.737514 0.299154 0.725861 S\n0.286801 0.734159 0.734081 S\n0.255069 0.265818 0.265932 S\n0.737454 0.725976 0.299212 S\n",
"nsites": 14,
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"elements": [
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"Ni",
"S"
],
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"density": 3.379707303513843,
"density_atomic": 0.0543369817512356,
"volume": 257.65141067449235,
"volume_molar": 11.08295044353114,
"formula_full": "Mg2 V2 Ni2 S8",
"formula_reduced": "MgVNiS4",
"formula_anonymous": "ABCD4",
"energy": -80.25789067,
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"updated_at": "2021-11-28T01:37:21.216000Z",
"spacegroup": 74
},
{
"id": "mp-1213462",
"created_at": "2022-09-04T14:46:07.627311Z",
"structure_string": "Dy28 B4 P8 O68\n1.0\n17.309944 0.000000 0.000000\n0.000000 6.651767 0.000000\n0.000000 5.200049 11.923724\nDy B P O\n28 4 8 68\ndirect\n0.723483 0.796333 0.180046 Dy\n0.276517 0.203667 0.819954 Dy\n0.223483 0.203667 0.319954 Dy\n0.776517 0.796333 0.680046 Dy\n0.865509 0.783075 0.433964 Dy\n0.134491 0.216925 0.566036 Dy\n0.365509 0.216925 0.066036 Dy\n0.634491 0.783075 0.933964 Dy\n0.606393 0.313806 0.197954 Dy\n0.393607 0.686194 0.802046 Dy\n0.106393 0.686194 0.302046 Dy\n0.893607 0.313806 0.697954 Dy\n0.272724 0.716397 0.095191 Dy\n0.727276 0.283603 0.904809 Dy\n0.772724 0.283603 0.404809 Dy\n0.227276 0.716397 0.595191 Dy\n0.446720 0.714694 0.508531 Dy\n0.553280 0.285306 0.491469 Dy\n0.946720 0.285306 0.991469 Dy\n0.053280 0.714694 0.008531 Dy\n0.520442 0.803856 0.212441 Dy\n0.479558 0.196144 0.787559 Dy\n0.020442 0.196144 0.287559 Dy\n0.979558 0.803856 0.712441 Dy\n0.653644 0.815569 0.424732 Dy\n0.346356 0.184431 0.575268 Dy\n0.153644 0.184431 0.075268 Dy\n0.846356 0.815569 0.924732 Dy\n0.432391 0.746634 0.000731 B\n0.567609 0.253366 0.999269 B\n0.932391 0.253366 0.499269 B\n0.067609 0.746634 0.500731 B\n0.801305 0.284795 0.163738 P\n0.198695 0.715205 0.836262 P\n0.301305 0.715205 0.336262 P\n0.698695 0.284795 0.663738 P\n0.936981 0.780667 0.182515 P\n0.063019 0.219333 0.817485 P\n0.436981 0.219333 0.317485 P\n0.563019 0.780667 0.682515 P\n0.867456 0.428348 0.092154 O\n0.132544 0.571652 0.907846 O\n0.367456 0.571652 0.407846 O\n0.632544 0.428348 0.592154 O\n0.376032 0.593423 0.999614 O\n0.623968 0.406577 0.000386 O\n0.876032 0.406577 0.500386 O\n0.123968 0.593423 0.499614 O\n0.764662 0.901374 0.493479 O\n0.235338 0.098626 0.506521 O\n0.264662 0.098626 0.006521 O\n0.735338 0.901374 0.993479 O\n0.632595 0.959570 0.239167 O\n0.367405 0.040430 0.760833 O\n0.132595 0.040430 0.260833 O\n0.867405 0.959570 0.739167 O\n0.935288 0.855786 0.052065 O\n0.064712 0.144214 0.947935 O\n0.435288 0.144214 0.447935 O\n0.564712 0.855786 0.552065 O\n0.858484 0.710903 0.238961 O\n0.141516 0.289097 0.761039 O\n0.358484 0.289097 0.261039 O\n0.641516 0.710903 0.738961 O\n0.143289 0.793971 0.119511 O\n0.856711 0.206029 0.880489 O\n0.643289 0.206029 0.380489 O\n0.356711 0.793971 0.619511 O\n0.740792 0.429418 0.193000 O\n0.259208 0.570582 0.807000 O\n0.240792 0.570582 0.307000 O\n0.759208 0.429418 0.693000 O\n0.543281 0.634924 0.402462 O\n0.456719 0.365076 0.597538 O\n0.043281 0.365076 0.097538 O\n0.956719 0.634924 0.902462 O\n0.997136 0.591422 0.228585 O\n0.002864 0.408578 0.771415 O\n0.497136 0.408578 0.271415 O\n0.502864 0.591422 0.728585 O\n0.326709 0.885379 0.221040 O\n0.673291 0.114621 0.778960 O\n0.826709 0.114621 0.278960 O\n0.173291 0.885379 0.721040 O\n0.608764 0.686028 0.124171 O\n0.391236 0.313972 0.875829 O\n0.108764 0.313972 0.375829 O\n0.891236 0.686028 0.624171 O\n0.968214 0.985611 0.196604 O\n0.031786 0.014389 0.803396 O\n0.468214 0.014389 0.303396 O\n0.531786 0.985611 0.696604 O\n0.421319 0.839081 0.076945 O\n0.578681 0.160919 0.923055 O\n0.921319 0.160919 0.423055 O\n0.078681 0.839081 0.576945 O\n0.511790 0.197407 0.083154 O\n0.488210 0.802593 0.916846 O\n0.011790 0.802593 0.416846 O\n0.988210 0.197407 0.583154 O\n0.739383 0.626809 0.373341 O\n0.260617 0.373191 0.626659 O\n0.239383 0.373191 0.126659 O\n0.760617 0.626809 0.873341 O\n0.263340 0.833209 0.404532 O\n0.736660 0.166791 0.595468 O\n0.763340 0.166791 0.095468 O\n0.236660 0.833209 0.904532 O\n",
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{
"id": "mp-1077785",
"created_at": "2022-09-04T14:46:07.670667Z",
"structure_string": "Ho2 Al2 Ge2\n1.0\n2.037621 -5.208914 0.000000\n2.037621 5.208914 0.000000\n0.000000 0.000000 5.755178\nHo Al Ge\n2 2 2\ndirect\n0.689928 0.310072 0.250000 Ho\n0.310072 0.689928 0.750000 Ho\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.393639 0.606361 0.250000 Ge\n0.606361 0.393639 0.750000 Ge\n",
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{
"id": "mp-1173260",
"created_at": "2022-09-04T14:46:07.674173Z",
"structure_string": "Sr2 Li4 Mn1 S3 O2\n1.0\n4.463033 0.000000 0.000000\n0.000000 4.463033 0.000000\n0.000000 0.000000 9.819485\nSr Li Mn S O\n2 4 1 3 2\ndirect\n0.500000 0.500000 0.146333 Sr\n0.500000 0.500000 0.853667 Sr\n0.000000 0.500000 0.376103 Li\n0.000000 0.500000 0.623897 Li\n0.500000 0.000000 0.623897 Li\n0.500000 0.000000 0.376103 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.691824 S\n0.000000 0.000000 0.308176 S\n0.500000 0.500000 0.500000 S\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 12,
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{
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{
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{
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"formula_full": "Li2 Cd6",
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{
"id": "mp-540584",
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"structure_string": "K2 Pd1 O2\n1.0\n-1.592864 3.071854 4.348419\n1.592864 -3.071854 4.348419\n1.592864 3.071854 -4.348419\nK Pd O\n2 1 2\ndirect\n0.324606 0.824606 0.500000 K\n0.675394 0.175394 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.219627 0.500000 0.719627 O\n0.780373 0.500000 0.280373 O\n",
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{
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"density": 5.466174327940019,
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"volume": 297.94601058487723,
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]
}