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{
"id": "mp-1208867",
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{
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"updated_at": "2021-11-28T01:36:52.907000Z",
"spacegroup": 227
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{
"id": "mp-1401382",
"created_at": "2022-09-04T14:45:12.125243Z",
"structure_string": "Sn4 O8\n1.0\n0.000000 4.523470 4.523470\n4.523470 0.000000 4.523470\n4.523470 4.523470 0.000000\nSn O\n4 8\ndirect\n0.625000 0.625000 0.125000 Sn\n0.125000 0.625000 0.625000 Sn\n0.625000 0.125000 0.625000 Sn\n0.625000 0.625000 0.625000 Sn\n0.390756 0.390756 0.390756 O\n0.390756 0.827732 0.390756 O\n0.390756 0.390756 0.827732 O\n0.827732 0.390756 0.390756 O\n0.422268 0.859244 0.859244 O\n0.859244 0.859244 0.422268 O\n0.859244 0.422268 0.859244 O\n0.859244 0.859244 0.859244 O\n",
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{
"id": "mp-1210241",
"created_at": "2022-09-04T14:45:12.562521Z",
"structure_string": "Pr2 Zr2 O28\n1.0\n-5.484364 -5.484364 0.000000\n-5.484364 0.000000 -5.484364\n0.000000 -5.484364 -5.484364\nPr Zr O\n2 2 28\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Zr\n0.875000 0.875000 0.875000 O\n0.375000 0.875000 0.875000 O\n0.875000 0.375000 0.875000 O\n0.875000 0.875000 0.375000 O\n0.503903 0.503903 0.184397 O\n0.807796 0.184397 0.503903 O\n0.184397 0.807796 0.503903 O\n0.503903 0.184397 0.503903 O\n0.942204 0.246097 0.565603 O\n0.246097 0.246097 0.565603 O\n0.503903 0.503903 0.807796 O\n0.184397 0.503903 0.807796 O\n0.246097 0.565603 0.246097 O\n0.942204 0.565603 0.246097 O\n0.807796 0.503903 0.184397 O\n0.246097 0.942204 0.246097 O\n0.565603 0.942204 0.246097 O\n0.503903 0.807796 0.503903 O\n0.565603 0.246097 0.942204 O\n0.246097 0.246097 0.942204 O\n0.184397 0.503903 0.503903 O\n0.503903 0.184397 0.807796 O\n0.807796 0.503903 0.503903 O\n0.503903 0.807796 0.184397 O\n0.246097 0.565603 0.942204 O\n0.565603 0.246097 0.246097 O\n0.246097 0.942204 0.565603 O\n0.942204 0.246097 0.246097 O\n",
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"formula_full": "Pr2 Zr2 O28",
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"updated_at": "2021-11-28T01:36:54.156000Z",
"spacegroup": 227
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{
"id": "mp-20660",
"created_at": "2022-09-04T14:45:12.679576Z",
"structure_string": "Np2 Al4\n1.0\n0.000000 3.874253 3.874253\n3.874253 0.000000 3.874253\n3.874253 3.874253 0.000000\nNp Al\n2 4\ndirect\n0.500000 0.500000 0.500000 Np\n0.750000 0.750000 0.750000 Np\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n",
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"formula_full": "Np2 Al4",
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{
"id": "mp-1045401",
"created_at": "2022-09-04T14:45:13.142280Z",
"structure_string": "Li2 Mn4 S8\n1.0\n0.000000 4.932553 4.932553\n4.932553 0.000000 4.932553\n4.932553 4.932553 0.000000\nLi Mn S\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.125000 0.625000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.411409 0.862864 0.862864 S\n0.862864 0.862864 0.411409 S\n0.862864 0.862864 0.862864 S\n0.838591 0.387136 0.387136 S\n0.387136 0.838591 0.387136 S\n0.387136 0.387136 0.838591 S\n0.862864 0.411409 0.862864 S\n0.387136 0.387136 0.387136 S\n",
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"volume": 240.01880928827023,
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"formula_full": "Li2 Mn4 S8",
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{
"id": "mp-1203677",
"created_at": "2022-09-04T14:45:13.545439Z",
"structure_string": "Ce2 Cd40 Ni4\n1.0\n0.000000 7.910714 7.910714\n7.910714 0.000000 7.910714\n7.910714 7.910714 0.000000\nCe Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ce\n0.568774 0.300195 0.300195 Cd\n0.300195 0.568774 0.830835 Cd\n0.300195 0.830835 0.568774 Cd\n0.830835 0.300195 0.300195 Cd\n0.300195 0.300195 0.568774 Cd\n0.568774 0.830835 0.300195 Cd\n0.830835 0.568774 0.300195 Cd\n0.300195 0.300195 0.830835 Cd\n0.300195 0.568774 0.300195 Cd\n0.830835 0.300195 0.568774 Cd\n0.568774 0.300195 0.830835 Cd\n0.300195 0.830835 0.300195 Cd\n0.681226 0.949805 0.949805 Cd\n0.949805 0.681226 0.419165 Cd\n0.949805 0.419165 0.681226 Cd\n0.419165 0.949805 0.949805 Cd\n0.949805 0.949805 0.681226 Cd\n0.681226 0.419165 0.949805 Cd\n0.419165 0.681226 0.949805 Cd\n0.949805 0.949805 0.419165 Cd\n0.949805 0.681226 0.949805 Cd\n0.419165 0.949805 0.681226 Cd\n0.681226 0.949805 0.419165 Cd\n0.949805 0.419165 0.949805 Cd\n0.863897 0.863897 0.136103 Cd\n0.136103 0.136103 0.863897 Cd\n0.863897 0.136103 0.863897 Cd\n0.136103 0.863897 0.136103 Cd\n0.136103 0.863897 0.863897 Cd\n0.863897 0.136103 0.136103 Cd\n0.386103 0.386103 0.113897 Cd\n0.113897 0.113897 0.386103 Cd\n0.386103 0.113897 0.386103 Cd\n0.113897 0.386103 0.113897 Cd\n0.113897 0.386103 0.386103 Cd\n0.386103 0.113897 0.113897 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
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{
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{
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{
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"structure_string": "La4 Ce4 O14\n1.0\n0.000000 5.613700 5.613700\n5.613700 0.000000 5.613700\n5.613700 5.613700 0.000000\nLa Ce O\n4 4 14\ndirect\n0.125000 0.625000 0.625000 La\n0.625000 0.625000 0.625000 La\n0.625000 0.125000 0.625000 La\n0.625000 0.625000 0.125000 La\n0.125000 0.625000 0.125000 Ce\n0.125000 0.125000 0.625000 Ce\n0.125000 0.125000 0.125000 Ce\n0.625000 0.125000 0.125000 Ce\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n0.219400 0.780600 0.780600 O\n0.780600 0.219400 0.780600 O\n0.219400 0.219400 0.780600 O\n0.219400 0.780600 0.219400 O\n0.780600 0.780600 0.219400 O\n0.469400 0.030600 0.030600 O\n0.780600 0.219400 0.219400 O\n0.030600 0.469400 0.030600 O\n0.469400 0.030600 0.469400 O\n0.030600 0.030600 0.469400 O\n0.469400 0.469400 0.030600 O\n0.030600 0.469400 0.469400 O\n",
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"updated_at": "2021-11-28T01:36:53.474000Z",
"spacegroup": 227
},
{
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"created_at": "2022-09-04T14:45:14.281513Z",
"structure_string": "Nd2 Rh4\n1.0\n0.000000 3.837759 3.837759\n3.837759 0.000000 3.837759\n3.837759 3.837759 0.000000\nNd Rh\n2 4\ndirect\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Nd\n0.125000 0.125000 0.625000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Nd-Rh",
"density": 10.283709617644325,
"density_atomic": 0.05307477456884092,
"volume": 113.04805434863728,
"volume_molar": 11.346521598860397,
"formula_full": "Nd2 Rh4",
"formula_reduced": "NdRh2",
"formula_anonymous": "AB2",
"energy": -42.92216641,
"energy_per_atom": -7.153694401666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.92216641,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 3.7e-05,
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"updated_at": "2021-11-28T01:36:48.841000Z",
"spacegroup": 227
},
{
"id": "mp-1232132",
"created_at": "2022-09-04T14:45:14.685742Z",
"structure_string": "Eu4 Mg2 Se8\n1.0\n0.000000 5.979974 5.979974\n5.979974 0.000000 5.979974\n5.979974 5.979974 0.000000\nEu Mg Se\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Eu\n0.125000 0.125000 0.625000 Eu\n0.625000 0.125000 0.125000 Eu\n0.125000 0.125000 0.125000 Eu\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.877363 0.877363 0.877363 Se\n0.367911 0.877363 0.877363 Se\n0.877363 0.367911 0.877363 Se\n0.877363 0.877363 0.367911 Se\n0.372637 0.372637 0.882089 Se\n0.372637 0.882089 0.372637 Se\n0.882089 0.372637 0.372637 Se\n0.372637 0.372637 0.372637 Se\n",
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"elements": [
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],
"chemical_system": "Eu-Mg-Se",
"density": 5.001339126645389,
"density_atomic": 0.032734081002764724,
"volume": 427.68880540185495,
"volume_molar": 18.397158482901563,
"formula_full": "Eu4 Mg2 Se8",
"formula_reduced": "Eu2MgSe4",
"formula_anonymous": "AB2C4",
"energy": -95.66872587,
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"updated_at": "2021-11-28T01:36:53.115000Z",
"spacegroup": 227
}
]
}