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{
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{
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{
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{
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"structure_string": "P8 Pb8\n1.0\n6.061217 0.000000 0.000000\n0.000000 5.799615 0.000000\n0.000000 4.998151 11.731973\nP Pb\n8 8\ndirect\n0.842542 0.183968 0.079234 P\n0.657458 0.183968 0.579234 P\n0.157458 0.816032 0.920766 P\n0.342542 0.816032 0.420766 P\n0.651914 0.323971 0.921133 P\n0.848086 0.323971 0.421133 P\n0.348086 0.676029 0.078867 P\n0.151914 0.676029 0.578867 P\n0.362291 0.129227 0.134910 Pb\n0.137709 0.129227 0.634910 Pb\n0.637709 0.870773 0.865090 Pb\n0.862291 0.870773 0.365090 Pb\n0.869304 0.639725 0.134827 Pb\n0.630696 0.639725 0.634827 Pb\n0.130696 0.360275 0.865173 Pb\n0.369304 0.360275 0.365173 Pb\n",
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{
"id": "mp-1213585",
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"structure_string": "Eu8 W4 O24\n1.0\n-0.002100 0.000000 5.536663\n-8.013712 5.695657 2.542967\n-8.013712 -5.695657 2.542967\nEu W O\n8 4 24\ndirect\n0.250000 0.367405 0.632595 Eu\n0.750000 0.632595 0.367405 Eu\n0.250000 0.888954 0.111046 Eu\n0.750000 0.111046 0.888954 Eu\n0.389343 0.942072 0.710094 Eu\n0.610657 0.057928 0.289906 Eu\n0.110657 0.289906 0.057928 Eu\n0.889343 0.710094 0.942072 Eu\n0.062510 0.799409 0.505431 W\n0.937490 0.200591 0.494569 W\n0.437490 0.494569 0.200591 W\n0.562510 0.505431 0.799409 W\n0.076398 0.160325 0.685770 O\n0.923602 0.839675 0.314230 O\n0.423602 0.314230 0.839675 O\n0.576398 0.685770 0.160325 O\n0.370551 0.827813 0.381106 O\n0.629449 0.172187 0.618894 O\n0.129449 0.618894 0.172187 O\n0.870551 0.381106 0.827813 O\n0.134554 0.786842 0.679159 O\n0.865446 0.213158 0.320841 O\n0.365446 0.320841 0.213158 O\n0.634554 0.679159 0.786842 O\n0.237033 0.064702 0.477561 O\n0.762968 0.935298 0.522439 O\n0.262968 0.522439 0.935298 O\n0.737032 0.477561 0.064702 O\n0.012823 0.615766 0.545410 O\n0.987177 0.384234 0.454590 O\n0.487177 0.454590 0.384234 O\n0.512823 0.545410 0.615766 O\n0.570963 0.922381 0.897913 O\n0.429037 0.077619 0.102087 O\n0.929037 0.102087 0.077619 O\n0.070963 0.897913 0.922381 O\n",
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{
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"created_at": "2022-09-04T14:41:15.461244Z",
"structure_string": "Sr1 Eu1 W4 O12\n1.0\n0.000000 3.957108 3.959203\n0.000000 -3.957108 3.959203\n8.059957 0.000000 0.000000\nSr Eu W O\n1 1 4 12\ndirect\n0.004705 0.004705 -0.000000 Sr\n0.499138 0.499138 0.500000 Eu\n0.500971 0.000109 0.749825 W\n0.500971 0.000109 0.250175 W\n0.000109 0.500971 0.250175 W\n0.000109 0.500971 0.749825 W\n0.723776 0.276515 0.745532 O\n0.276515 0.723776 0.745532 O\n0.276515 0.723776 0.254468 O\n0.723776 0.276515 0.254468 O\n0.767145 0.767145 0.771427 O\n0.238874 0.238874 0.727610 O\n0.238874 0.238874 0.272390 O\n0.767145 0.767145 0.228573 O\n0.467271 0.015297 -0.000000 O\n0.524518 0.973490 0.500000 O\n0.015297 0.467271 -0.000000 O\n0.973490 0.524518 0.500000 O\n",
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{
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"structure_string": "Ta9 N3 O18\n1.0\n1.944600 10.462259 0.000000\n-1.944600 10.462259 0.000000\n0.000000 6.038491 10.416932\nTa N O\n9 3 18\ndirect\n0.999335 0.999335 0.000264 Ta\n0.815544 0.815544 0.000685 Ta\n0.182303 0.182303 0.001915 Ta\n0.919871 0.919871 0.632261 Ta\n0.081058 0.081058 0.373587 Ta\n0.104140 0.104140 0.627195 Ta\n0.891194 0.891194 0.374499 Ta\n0.709173 0.709173 0.369052 Ta\n0.289901 0.289901 0.633081 Ta\n0.828425 0.828425 0.590210 N\n0.173480 0.173480 0.403794 N\n0.024519 0.024519 0.580918 N\n0.627878 0.627878 0.581938 O\n0.374719 0.374719 0.414475 O\n0.402244 0.402244 0.625657 O\n0.599114 0.599114 0.370326 O\n0.205787 0.205787 0.619329 O\n0.794755 0.794755 0.380652 O\n0.754419 0.754419 0.190530 O\n0.246111 0.246111 0.811199 O\n0.290564 0.290564 0.001752 O\n0.708602 0.708602 0.998915 O\n0.097722 0.097722 0.989711 O\n0.901246 0.901246 0.009638 O\n0.976809 0.976809 0.412937 O\n0.127879 0.127879 0.188909 O\n0.870932 0.870932 0.812568 O\n0.499126 0.499126 0.001944 O\n0.949605 0.949605 0.196093 O\n0.048899 0.048899 0.805966 O\n",
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{
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{
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{
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{
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"density": 7.673264652630655,
"density_atomic": 0.07240949716076074,
"volume": 386.6896069977601,
"volume_molar": 8.316783013462832,
"formula_full": "Nb12 Cr12 C4",
"formula_reduced": "Nb3Cr3C",
"formula_anonymous": "AB3C3",
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"energy_per_atom": -9.9632080025,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -278.96982407,
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"total_magnetization": 0.004857,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.886000Z",
"spacegroup": 227
},
{
"id": "mp-1207374",
"created_at": "2022-09-04T14:41:01.447834Z",
"structure_string": "Ce2 Ge6 Au1\n1.0\n0.000000 4.183363 0.000000\n4.228024 0.000000 0.000000\n0.000000 -2.091682 -11.171003\nCe Ge Au\n2 6 1\ndirect\n0.778843 0.500000 0.557685 Ce\n0.116710 0.500000 0.233421 Ce\n0.492154 0.500000 0.984308 Ge\n0.379880 0.500000 0.759760 Ge\n0.991268 0.000000 0.982537 Ge\n0.879025 0.000000 0.758049 Ge\n0.672415 0.000000 0.344830 Ge\n0.236616 0.000000 0.473233 Ge\n0.560088 0.000000 0.120176 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Au"
],
"chemical_system": "Au-Ce-Ge",
"density": 7.673315545038955,
"density_atomic": 0.045549891432550026,
"volume": 197.58554229107526,
"volume_molar": 13.220977197975424,
"formula_full": "Ce2 Ge6 Au1",
"formula_reduced": "Ce2Ge6Au",
"formula_anonymous": "AB2C6",
"energy": -46.3675222,
"energy_per_atom": -5.151946911111112,
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"total_magnetization": 1.0099018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.064000Z",
"spacegroup": 38
}
]
}