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{
"id": "mp-862752",
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{
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{
"id": "mp-1188138",
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"structure_string": "Er4 Ge10 Ru6\n1.0\n-2.875558 4.916483 6.229022\n2.875558 -4.916483 6.229022\n2.875558 4.916483 -6.229022\nEr Ge Ru\n4 10 6\ndirect\n0.869501 0.637823 0.231678 Er\n0.130499 0.362177 0.768322 Er\n0.406145 0.137823 0.268322 Er\n0.593855 0.862177 0.731678 Er\n0.500000 0.750000 0.250000 Ge\n0.500000 0.250000 0.750000 Ge\n0.207924 0.957924 0.750000 Ge\n0.792076 0.542076 0.750000 Ge\n0.792076 0.042076 0.250000 Ge\n0.207924 0.457924 0.250000 Ge\n0.086242 0.911322 0.174920 Ge\n0.913758 0.088678 0.825080 Ge\n0.736402 0.411322 0.325080 Ge\n0.263598 0.588678 0.674920 Ge\n0.000000 0.750000 0.750000 Ru\n0.000000 0.250000 0.250000 Ru\n0.260146 0.852738 0.407409 Ru\n0.739854 0.147262 0.592591 Ru\n0.445329 0.352738 0.092591 Ru\n0.554671 0.647262 0.907409 Ru\n",
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"elements": [
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{
"id": "mp-753930",
"created_at": "2022-09-04T14:47:14.038629Z",
"structure_string": "Li4 V2 Fe2 O10\n1.0\n6.645914 0.000000 0.000000\n0.000000 6.645914 0.000000\n0.000000 0.000000 4.638261\nLi V Fe O\n4 2 2 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.500000 0.126998 V\n0.500000 0.000000 0.873002 V\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.272800 0.754865 O\n0.000000 0.500000 0.767239 O\n0.272800 0.500000 0.245135 O\n0.727200 0.500000 0.245135 O\n0.500000 0.727200 0.754865 O\n0.000000 0.772800 0.245135 O\n0.772800 0.000000 0.754865 O\n0.227200 0.000000 0.754865 O\n0.500000 0.000000 0.232761 O\n0.000000 0.227200 0.245135 O\n",
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"elements": [
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],
"chemical_system": "Fe-Li-O-V",
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"volume": 204.86351378197236,
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"formula_full": "Li4 V2 Fe2 O10",
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"formula_anonymous": "ABC2D5",
"energy": -131.50517153,
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"spacegroup": 129
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{
"id": "mp-1093579",
"created_at": "2022-09-04T14:47:14.044244Z",
"structure_string": "Mg2 Ir1 Pd1\n1.0\n-4.983117 5.466654 7.817026\n4.983117 -5.466654 7.817026\n4.983117 5.466654 -7.817026\nMg Ir Pd\n2 1 1\ndirect\n0.000000 0.248353 0.248353 Mg\n0.000000 0.751647 0.751647 Mg\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
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"density": 0.6769605811626516,
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"volume": 851.7736856543909,
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"formula_full": "Mg2 Ir1 Pd1",
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"spacegroup": 71
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{
"id": "mp-1229024",
"created_at": "2022-09-04T14:47:14.058568Z",
"structure_string": "B40 H44 C8\n1.0\n7.530097 0.000000 -0.084352\n0.000000 10.105646 0.000000\n-0.064655 0.000000 12.859486\nB H C\n40 44 8\ndirect\n0.520634 0.216720 0.720773 B\n0.020634 0.283280 0.220773 B\n0.479366 0.783280 0.279227 B\n0.979366 0.716720 0.779227 B\n0.314407 0.280187 0.673272 B\n0.814407 0.219813 0.173272 B\n0.685593 0.719813 0.326728 B\n0.185593 0.780187 0.826728 B\n0.458895 0.382362 0.748815 B\n0.958895 0.117638 0.248815 B\n0.541105 0.617638 0.251185 B\n0.041105 0.882362 0.751185 B\n0.563991 0.284029 0.505554 B\n0.063991 0.215971 0.005554 B\n0.436009 0.715971 0.494446 B\n0.936009 0.784029 0.994446 B\n0.341271 0.321812 0.540120 B\n0.841271 0.178188 0.040120 B\n0.658729 0.678188 0.459880 B\n0.158729 0.821812 0.959880 B\n0.674814 0.219367 0.617444 B\n0.174814 0.280633 0.117444 B\n0.325186 0.780633 0.382556 B\n0.825186 0.719367 0.882556 B\n0.447911 0.179092 0.592033 B\n0.947911 0.320908 0.092033 B\n0.552089 0.820908 0.407967 B\n0.052089 0.679092 0.907967 B\n0.680226 0.344944 0.713906 B\n0.180226 0.155056 0.213906 B\n0.319774 0.655056 0.286094 B\n0.819774 0.844944 0.786094 B\n0.708531 0.385446 0.581494 B\n0.208531 0.114554 0.081494 B\n0.291469 0.614554 0.418506 B\n0.791469 0.885446 0.918506 B\n0.346791 0.446767 0.637788 B\n0.846791 0.053233 0.137788 B\n0.653209 0.553233 0.362212 B\n0.153209 0.946767 0.862212 B\n0.402917 0.071143 0.565454 H\n0.902917 0.428857 0.065454 H\n0.597083 0.928857 0.434546 H\n0.097083 0.571143 0.934546 H\n0.428292 0.431611 0.830594 H\n0.928292 0.068389 0.330594 H\n0.571708 0.568389 0.169406 H\n0.071708 0.931611 0.669406 H\n0.603035 0.262478 0.417874 H\n0.103035 0.237522 0.917874 H\n0.396965 0.737522 0.582126 H\n0.896965 0.762478 0.082126 H\n0.609940 0.575245 0.675913 H\n0.109940 0.924755 0.175913 H\n0.390060 0.424755 0.324087 H\n0.890060 0.075245 0.824087 H\n0.794514 0.143102 0.609454 H\n0.294514 0.356898 0.109454 H\n0.205486 0.856898 0.390546 H\n0.705486 0.643102 0.890546 H\n0.800751 0.368799 0.771528 H\n0.300751 0.131201 0.271528 H\n0.199249 0.631201 0.228472 H\n0.699249 0.868799 0.728472 H\n0.837523 0.438508 0.550826 H\n0.337523 0.061492 0.050826 H\n0.162477 0.561492 0.449174 H\n0.662477 0.938508 0.949174 H\n0.173777 0.246650 0.705206 H\n0.673777 0.253350 0.205206 H\n0.826223 0.753350 0.294794 H\n0.326223 0.746650 0.794794 H\n0.529319 0.136039 0.788202 H\n0.029319 0.363961 0.288202 H\n0.470681 0.863961 0.211798 H\n0.970681 0.636039 0.711798 H\n0.248748 0.538077 0.641246 H\n0.748748 0.961923 0.141246 H\n0.751252 0.461923 0.358754 H\n0.251252 0.038077 0.858754 H\n0.226045 0.325191 0.475763 H\n0.726045 0.174809 0.975763 H\n0.773955 0.674809 0.524237 H\n0.273955 0.825191 0.024237 H\n0.501858 0.442308 0.538890 C\n0.001858 0.057692 0.038890 C\n0.498142 0.557692 0.461110 C\n0.998142 0.942308 0.961110 C\n0.569315 0.474163 0.659711 C\n0.069315 0.025837 0.159711 C\n0.430685 0.525837 0.340289 C\n0.930685 0.974163 0.840289 C\n",
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{
"id": "mp-1022978",
"created_at": "2022-09-04T14:47:14.058871Z",
"structure_string": "Mg12 Mn2 Sn2\n1.0\n4.964773 0.000000 0.000000\n0.000000 6.346632 0.000000\n0.000000 0.000000 10.862485\nMg Mn Sn\n12 2 2\ndirect\n0.000000 0.744703 0.581856 Mg\n0.000000 0.255297 0.581856 Mg\n0.000000 0.000000 0.333519 Mg\n0.500000 0.744672 0.414268 Mg\n0.500000 0.255328 0.414268 Mg\n0.500000 0.000000 0.167858 Mg\n0.000000 0.244703 0.081856 Mg\n0.000000 0.755297 0.081856 Mg\n0.000000 0.500000 0.833519 Mg\n0.500000 0.244672 0.914268 Mg\n0.500000 0.755328 0.914268 Mg\n0.500000 0.500000 0.667858 Mg\n0.000000 0.000000 0.833928 Mn\n0.000000 0.500000 0.333928 Mn\n0.500000 0.000000 0.672448 Sn\n0.500000 0.500000 0.172448 Sn\n",
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{
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