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{
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{
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"created_at": "2022-09-04T14:42:02.943433Z",
"structure_string": "Li14 Cr8 P18 O64\n1.0\n13.806384 0.000000 0.000000\n0.000000 13.806384 0.000000\n0.000000 0.000000 6.355580\nLi Cr P O\n14 8 18 64\ndirect\n0.000000 0.000000 0.000000 Li\n0.255132 0.895742 0.824775 Li\n0.395742 0.755132 0.324775 Li\n0.895742 0.744868 0.175225 Li\n0.755132 0.604258 0.675225 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.860322 Li\n0.000000 0.500000 0.360322 Li\n0.244868 0.395742 0.675225 Li\n0.500000 0.000000 0.139678 Li\n0.500000 0.000000 0.639678 Li\n0.744868 0.104258 0.824775 Li\n0.604258 0.244868 0.324775 Li\n0.104258 0.255132 0.175225 Li\n0.803459 0.878763 0.620296 Cr\n0.121237 0.803459 0.379704 Cr\n0.621237 0.696541 0.120296 Cr\n0.303459 0.621237 0.879704 Cr\n0.696541 0.378763 0.879704 Cr\n0.378763 0.303459 0.120296 Cr\n0.878763 0.196541 0.379704 Cr\n0.196541 0.121237 0.620296 Cr\n0.500000 0.500000 0.000000 P\n0.806028 0.559679 0.114261 P\n0.252297 0.608361 0.368940 P\n0.940321 0.693972 0.614261 P\n0.608361 0.747703 0.631060 P\n0.108361 0.752297 0.868940 P\n0.440321 0.806028 0.885739 P\n0.752297 0.891639 0.131060 P\n0.000000 0.000000 0.500000 P\n0.693972 0.059679 0.385739 P\n0.247703 0.108361 0.131060 P\n0.559679 0.193972 0.885739 P\n0.891639 0.247703 0.868940 P\n0.391639 0.252297 0.631060 P\n0.059679 0.306028 0.614261 P\n0.747703 0.391639 0.368940 P\n0.193972 0.440321 0.114261 P\n0.306028 0.940321 0.385739 P\n0.436769 0.562496 0.849230 O\n0.812631 0.892565 0.931162 O\n0.441781 0.915559 0.892677 O\n0.415559 0.941781 0.392677 O\n0.936769 0.937504 0.650770 O\n0.062496 0.936769 0.349230 O\n0.254785 0.987016 0.575844 O\n0.272397 0.995040 0.169805 O\n0.727603 0.004960 0.169805 O\n0.745215 0.012984 0.575844 O\n0.937504 0.063231 0.349230 O\n0.063231 0.062496 0.650770 O\n0.584441 0.058219 0.392677 O\n0.558219 0.084441 0.892677 O\n0.187369 0.107435 0.931162 O\n0.180595 0.141218 0.310337 O\n0.338287 0.156342 0.620132 O\n0.343658 0.161713 0.120132 O\n0.732884 0.163451 0.352422 O\n0.858782 0.180595 0.689663 O\n0.892565 0.187369 0.068838 O\n0.504960 0.227603 0.669805 O\n0.663451 0.232884 0.852422 O\n0.512984 0.245215 0.075844 O\n0.012984 0.254785 0.424156 O\n0.163451 0.267116 0.647578 O\n0.004960 0.272397 0.830195 O\n0.392565 0.312631 0.431162 O\n0.358782 0.319405 0.810337 O\n0.232884 0.336549 0.147578 O\n0.843658 0.338287 0.379868 O\n0.838287 0.343658 0.879868 O\n0.680595 0.358782 0.189663 O\n0.687369 0.392565 0.568838 O\n0.058219 0.415559 0.607323 O\n0.084441 0.441781 0.107323 O\n0.563231 0.437504 0.849230 O\n0.437504 0.436769 0.150770 O\n0.245215 0.487016 0.924156 O\n0.227603 0.495040 0.330195 O\n0.772397 0.504960 0.330195 O\n0.754785 0.512984 0.924156 O\n0.562496 0.563231 0.150770 O\n0.819405 0.858782 0.310337 O\n0.915559 0.558219 0.107323 O\n0.941781 0.584441 0.607323 O\n0.312631 0.607435 0.568838 O\n0.319405 0.641218 0.189663 O\n0.161713 0.656342 0.879868 O\n0.156342 0.661713 0.379868 O\n0.767116 0.663451 0.147578 O\n0.641218 0.680595 0.810337 O\n0.607435 0.687369 0.431162 O\n0.995040 0.727603 0.830195 O\n0.836549 0.732884 0.647578 O\n0.987016 0.745215 0.424156 O\n0.661713 0.843658 0.620132 O\n0.336549 0.767116 0.852422 O\n0.495040 0.772397 0.669805 O\n0.107435 0.812631 0.068838 O\n0.141218 0.819405 0.689663 O\n0.267116 0.836549 0.352422 O\n0.656342 0.838287 0.120132 O\n0.487016 0.754785 0.075844 O\n",
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{
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{
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N\n0.182879 0.324171 0.233102 N\n0.682879 0.175829 0.766898 N\n0.817121 0.824171 0.266898 N\n0.317121 0.675829 0.733102 N\n0.817121 0.675829 0.766898 N\n0.317121 0.824171 0.233102 N\n0.182879 0.175829 0.733102 N\n0.682879 0.324171 0.266898 N\n",
"nsites": 168,
"nelements": 5,
"elements": [
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"C",
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],
"chemical_system": "C-Co-H-I-N",
"density": 2.7673315654271167,
"density_atomic": 0.0554908707664494,
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"volume_molar": 10.85248920555969,
"formula_full": "Co8 H96 C16 I32 N16",
"formula_reduced": "CoH12C2(I2N)2",
"formula_anonymous": "AB2C2D4E12",
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"formation_energy": null,
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"energy_uncorrected": -760.51022533,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.322000Z",
"spacegroup": 61
},
{
"id": "mp-570920",
"created_at": "2022-09-04T14:42:47.416256Z",
"structure_string": "Ga10 Fe12\n1.0\n3.958899 5.019779 0.000000\n-3.958899 5.019779 0.000000\n0.000000 2.425019 7.296348\nGa Fe\n10 12\ndirect\n0.321522 0.321522 0.655030 Ga\n0.841618 0.234578 0.794913 Ga\n0.131123 0.131123 0.401402 Ga\n0.158382 0.765422 0.205087 Ga\n0.234578 0.841618 0.794913 Ga\n0.622718 0.622718 0.020121 Ga\n0.678478 0.678478 0.344970 Ga\n0.765422 0.158382 0.205087 Ga\n0.868877 0.868877 0.598598 Ga\n0.377282 0.377282 0.979879 Ga\n0.869052 0.869052 0.013193 Fe\n0.603448 0.603448 0.690555 Fe\n0.500000 0.000000 0.500000 Fe\n0.720328 0.279672 0.500000 Fe\n0.993025 0.456886 0.170142 Fe\n0.006975 0.543114 0.829858 Fe\n0.396552 0.396552 0.309445 Fe\n0.456886 0.993025 0.170142 Fe\n0.130948 0.130948 0.986807 Fe\n0.279672 0.720328 0.500000 Fe\n0.543114 0.006975 0.829858 Fe\n0.000000 0.500000 0.500000 Fe\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Fe-Ga",
"density": 7.829618294127698,
"density_atomic": 0.07586267042375179,
"volume": 289.9977008074321,
"volume_molar": 7.938213519721463,
"formula_full": "Ga10 Fe12",
"formula_reduced": "Ga5Fe6",
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"updated_at": "2021-11-28T01:35:49.944000Z",
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}
]
}