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{
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{
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{
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{
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"structure_string": "Li28 Fe4 O20 F4\n1.0\n2.826819 4.748651 0.128425\n0.017695 0.280671 10.873120\n8.478173 -4.747937 -0.110967\nLi Fe O F\n28 4 20 4\ndirect\n0.348387 0.763309 0.011091 Li\n0.848385 0.763323 0.511090 Li\n0.212709 0.633345 0.187123 Li\n0.712696 0.633343 0.687107 Li\n0.496207 0.911517 0.174806 Li\n0.996238 0.911516 0.674796 Li\n0.486934 0.429382 0.164232 Li\n0.986909 0.429374 0.664270 Li\n0.824576 0.758175 0.136787 Li\n0.324572 0.758198 0.636790 Li\n0.353331 0.774259 0.359378 Li\n0.853328 0.774252 0.859357 Li\n0.688023 0.627739 0.308508 Li\n0.187999 0.627740 0.808500 Li\n0.107196 0.271580 0.154073 Li\n0.607196 0.271583 0.654075 Li\n0.675718 0.264484 0.327407 Li\n0.175672 0.264487 0.827416 Li\n0.985065 0.929318 0.325746 Li\n0.485027 0.929316 0.825727 Li\n0.004726 0.412950 0.344709 Li\n0.504703 0.412954 0.844715 Li\n0.305230 0.129458 0.304857 Li\n0.805190 0.129479 0.804862 Li\n0.880329 0.130194 0.482948 Li\n0.380255 0.130189 0.982943 Li\n0.204692 0.261333 0.497208 Li\n0.704607 0.261367 0.997194 Li\n0.494079 0.002332 0.506459 Fe\n0.988443 0.502623 0.002556 Fe\n0.993900 0.002335 0.006386 Fe\n0.488418 0.502592 0.502519 Fe\n0.520086 0.170553 0.478857 O\n0.019653 0.170607 0.978751 O\n0.543847 0.670707 0.501090 O\n0.043932 0.670600 0.001083 O\n0.133342 0.459593 0.163577 O\n0.633304 0.459606 0.663502 O\n0.703392 0.433113 0.007165 O\n0.203487 0.433106 0.507165 O\n0.498523 0.725077 0.184460 O\n0.998482 0.725178 0.684410 O\n0.848810 0.930622 0.146935 O\n0.348833 0.930608 0.647009 O\n0.637096 0.452184 0.338406 O\n0.137008 0.452178 0.838466 O\n0.015329 0.226487 0.338486 O\n0.515124 0.226455 0.838512 O\n0.316080 0.954596 0.009704 O\n0.816141 0.954563 0.509731 O\n0.324235 0.956311 0.353673 O\n0.824157 0.956301 0.853587 O\n0.472964 0.222653 0.157890 F\n0.972979 0.222651 0.657897 F\n0.997601 0.722996 0.324986 F\n0.497526 0.722987 0.824930 F\n",
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},
{
"id": "mp-569823",
"created_at": "2022-09-04T14:40:59.890564Z",
"structure_string": "Y1 In1 Ag2\n1.0\n0.000000 3.511132 3.511132\n3.511132 0.000000 3.511132\n3.511132 3.511132 0.000000\nY In Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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"elements": [
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"In",
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],
"chemical_system": "Ag-In-Y",
"density": 8.045785355041131,
"density_atomic": 0.04620495214938583,
"volume": 86.57080710889058,
"volume_molar": 13.033539652913692,
"formula_full": "Y1 In1 Ag2",
"formula_reduced": "YInAg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:11.508000Z",
"spacegroup": 225
},
{
"id": "mp-1080223",
"created_at": "2022-09-04T14:40:59.893005Z",
"structure_string": "Mn8 H8 O16\n1.0\n6.258151 0.000000 0.000000\n0.000000 6.117364 0.000000\n0.000000 0.103905 8.792954\nMn H O\n8 8 16\ndirect\n0.253922 0.771605 0.248567 Mn\n0.753922 0.228395 0.751433 Mn\n0.252573 0.269515 0.255323 Mn\n0.752573 0.730485 0.744677 Mn\n0.477100 0.004078 0.000877 Mn\n0.022563 0.496129 0.495765 Mn\n0.977100 0.995922 0.999123 Mn\n0.522563 0.503871 0.504235 Mn\n0.369092 0.031698 0.714089 H\n0.648279 0.550163 0.232440 H\n0.237503 0.424976 0.995524 H\n0.729247 0.096900 0.473672 H\n0.869092 0.968302 0.285911 H\n0.148279 0.449837 0.767560 H\n0.737503 0.575024 0.004476 H\n0.229247 0.903100 0.526328 H\n0.446175 0.019575 0.227094 O\n0.008547 0.472146 0.721896 O\n0.995332 0.010287 0.227227 O\n0.560767 0.481354 0.727772 O\n0.231857 0.807264 0.020950 O\n0.761306 0.236359 0.521648 O\n0.233021 0.270883 0.028360 O\n0.772407 0.695395 0.518933 O\n0.946175 0.980425 0.772906 O\n0.508547 0.527854 0.278104 O\n0.495332 0.989713 0.772773 O\n0.060767 0.518646 0.272228 O\n0.733021 0.729117 0.971640 O\n0.272407 0.304605 0.481067 O\n0.731857 0.192736 0.979050 O\n0.261306 0.763641 0.478352 O\n",
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],
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"density": 3.4705956171264467,
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"volume": 336.6240664296143,
"volume_molar": 6.334992222633525,
"formula_full": "Mn8 H8 O16",
"formula_reduced": "MnHO2",
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"updated_at": "2021-11-28T01:35:13.463000Z",
"spacegroup": 4
}
]
}