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{
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{
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{
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{
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{
"id": "mp-21048",
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"structure_string": "Cr4 P4\n1.0\n3.063179 0.000000 0.000000\n0.000000 5.334564 0.000000\n0.000000 0.000000 5.948189\nCr P\n4 4\ndirect\n0.250000 0.508853 0.690077 Cr\n0.750000 0.491147 0.309923 Cr\n0.250000 0.008853 0.809923 Cr\n0.750000 0.991147 0.190077 Cr\n0.250000 0.682683 0.064446 P\n0.750000 0.317317 0.935554 P\n0.250000 0.182683 0.435554 P\n0.750000 0.817317 0.564446 P\n",
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{
"id": "mp-583070",
"created_at": "2022-09-04T14:41:31.309513Z",
"structure_string": "Re24 Te60\n1.0\n13.403496 0.000000 0.000000\n0.000000 13.464907 0.000000\n0.000000 0.000000 14.506957\nRe Te\n24 60\ndirect\n0.054336 0.546399 0.114211 Re\n0.054336 0.046399 0.385789 Re\n0.945664 0.453601 0.885789 Re\n0.131852 0.977789 0.546352 Re\n0.554336 0.953601 0.114211 Re\n0.497010 0.632347 0.452047 Re\n0.868148 0.022211 0.453648 Re\n0.445664 0.046399 0.885789 Re\n0.368148 0.977789 0.046352 Re\n0.497010 0.132347 0.047953 Re\n0.554336 0.453601 0.385789 Re\n0.631852 0.022211 0.953648 Re\n0.997010 0.867653 0.452047 Re\n0.368148 0.477789 0.453648 Re\n0.502990 0.367653 0.547953 Re\n0.002990 0.132347 0.547953 Re\n0.631852 0.522211 0.546352 Re\n0.997010 0.367653 0.047953 Re\n0.502990 0.867653 0.952047 Re\n0.868148 0.522211 0.046352 Re\n0.945664 0.953601 0.614211 Re\n0.445664 0.546399 0.614211 Re\n0.002990 0.632347 0.952047 Re\n0.131852 0.477789 0.953648 Re\n0.573123 0.203306 0.888011 Te\n0.691971 0.842847 0.020280 Te\n0.680409 0.063141 0.383149 Te\n0.819591 0.063141 0.883149 Te\n0.035668 0.819120 0.879201 Te\n0.319591 0.436859 0.883149 Te\n0.191971 0.157153 0.479720 Te\n0.191971 0.657153 0.020280 Te\n0.535668 0.180880 0.620799 Te\n0.819591 0.563141 0.616851 Te\n0.684094 0.609310 0.383932 Te\n0.080626 0.562534 0.789961 Te\n0.136500 0.614391 0.276054 Te\n0.308029 0.657153 0.520280 Te\n0.926877 0.703306 0.111989 Te\n0.680409 0.563141 0.116851 Te\n0.964332 0.180880 0.120799 Te\n0.180409 0.936859 0.116851 Te\n0.808029 0.842847 0.520280 Te\n0.464332 0.319120 0.120799 Te\n0.636500 0.385609 0.223946 Te\n0.136500 0.114391 0.223946 Te\n0.919374 0.937466 0.289961 Te\n0.964332 0.680880 0.379201 Te\n0.419374 0.062534 0.210039 Te\n0.000000 0.500000 0.500000 Te\n0.573123 0.703306 0.611989 Te\n0.863500 0.885609 0.776054 Te\n0.308029 0.157153 0.979720 Te\n0.184094 0.890690 0.383932 Te\n0.319591 0.936859 0.616851 Te\n0.184094 0.390690 0.116068 Te\n0.363500 0.114391 0.723946 Te\n0.426877 0.796694 0.111989 Te\n0.035668 0.319120 0.620799 Te\n0.000000 0.000000 0.000000 Te\n0.808029 0.342847 0.979720 Te\n0.535668 0.680880 0.879201 Te\n0.464332 0.819120 0.379201 Te\n0.080626 0.062534 0.710039 Te\n0.419374 0.562534 0.289961 Te\n0.500000 0.500000 0.000000 Te\n0.073123 0.296694 0.888011 Te\n0.315906 0.390690 0.616068 Te\n0.580626 0.937466 0.789961 Te\n0.691971 0.342847 0.479720 Te\n0.919374 0.437466 0.210039 Te\n0.073123 0.796694 0.611989 Te\n0.863500 0.385609 0.723946 Te\n0.636500 0.885609 0.276054 Te\n0.580626 0.437466 0.710039 Te\n0.426877 0.296694 0.388011 Te\n0.315906 0.890690 0.883932 Te\n0.815906 0.109310 0.616068 Te\n0.363500 0.614391 0.776054 Te\n0.684094 0.109310 0.116068 Te\n0.815906 0.609310 0.883932 Te\n0.180409 0.436859 0.383149 Te\n0.926877 0.203306 0.388011 Te\n0.500000 0.000000 0.500000 Te\n",
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{
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"id": "mp-755738",
"created_at": "2022-09-04T14:41:29.138945Z",
"structure_string": "Rb8 O4\n1.0\n4.736416 0.000000 0.000000\n0.000000 7.303639 0.000000\n0.000000 0.000000 8.813853\nRb O\n8 4\ndirect\n0.250000 0.009849 0.154178 Rb\n0.250000 0.134991 0.588902 Rb\n0.750000 0.365009 0.088902 Rb\n0.750000 0.490151 0.654178 Rb\n0.250000 0.509849 0.345822 Rb\n0.250000 0.634991 0.911098 Rb\n0.750000 0.865009 0.411098 Rb\n0.750000 0.990151 0.845822 Rb\n0.750000 0.258018 0.407945 O\n0.250000 0.241982 0.907945 O\n0.750000 0.758018 0.092055 O\n0.250000 0.741982 0.592055 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Rb",
"O"
],
"chemical_system": "O-Rb",
"density": 4.072346934346211,
"density_atomic": 0.03935739129215355,
"volume": 304.898256871826,
"volume_molar": 15.301168503006446,
"formula_full": "Rb8 O4",
"formula_reduced": "Rb2O",
"formula_anonymous": "AB2",
"energy": -40.85071718,
"energy_per_atom": -3.4042264316666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.10271718,
"band_gap": 1.6455,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.796000Z",
"spacegroup": 62
},
{
"id": "mp-1184185",
"created_at": "2022-09-04T14:41:31.456320Z",
"structure_string": "Cu1 Pb3\n1.0\n-2.404532 2.404532 4.605555\n2.404532 -2.404532 4.605555\n2.404532 2.404532 -4.605555\nCu Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Pb"
],
"chemical_system": "Cu-Pb",
"density": 10.681423573128637,
"density_atomic": 0.037554060767656626,
"volume": 106.51311517941073,
"volume_molar": 16.035924309912602,
"formula_full": "Cu1 Pb3",
"formula_reduced": "CuPb3",
"formula_anonymous": "AB3",
"energy": -14.19324095,
"energy_per_atom": -3.5483102375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.19324095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.480000Z",
"spacegroup": 139
}
]
}