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{
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"structure_string": "Al1 Fe4 Cu3 O12\n1.0\n5.808682 0.000000 -2.053679\n-2.904342 5.030467 -2.053679\n0.000000 0.000000 6.161038\nAl Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.532286 0.826821 0.705466 O\n0.294535 0.467715 0.173180 O\n0.826820 0.705466 0.532286 O\n0.878645 0.173180 0.705465 O\n0.826820 0.294535 0.121355 O\n0.705466 0.878646 0.173180 O\n0.467714 0.173180 0.294535 O\n0.705465 0.532286 0.826821 O\n0.173180 0.705466 0.878646 O\n0.294535 0.121355 0.826820 O\n0.173180 0.294535 0.467715 O\n0.121355 0.826821 0.294535 O\n",
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{
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"structure_string": "Nd2 Fe15 Co2 H3\n1.0\n6.328654 0.010050 0.693674\n0.622885 6.297934 0.693674\n0.011075 0.010050 6.366547\nNd Fe Co H\n2 15 2 3\ndirect\n0.654788 0.654789 0.654789 Nd\n0.345210 0.345210 0.345210 Nd\n0.662457 0.149932 0.662458 Fe\n0.149931 0.662458 0.662458 Fe\n0.662457 0.662458 0.149931 Fe\n0.337541 0.850067 0.337541 Fe\n0.850067 0.337542 0.337541 Fe\n0.337541 0.337542 0.850068 Fe\n0.717186 0.000000 0.282813 Fe\n0.282813 0.717186 -0.000001 Fe\n0.282813 0.000000 0.717187 Fe\n-0.000001 0.717186 0.282813 Fe\n0.717186 0.282813 -0.000001 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n-0.000001 0.282813 0.717187 Fe\n0.905266 0.905268 0.905268 Co\n0.094731 0.094732 0.094732 Co\n-0.000001 0.500000 0.500000 H\n0.499999 0.500000 -0.000001 H\n0.499999 0.000000 0.500000 H\n",
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{
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"updated_at": "2022-09-04T14:38:33.629599Z",
"structure_string": "Li2 Ti2 Ni2 O8\n1.0\n5.941530 -0.000000 0.000000\n2.970765 4.983092 -0.122557\n2.970765 1.545482 4.738956\nLi Ti Ni O\n2 2 2 8\ndirect\n0.118978 0.131022 0.131022 Li\n0.881024 0.868977 0.868978 Li\n0.500000 -0.000000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.000001 0.500000 0.500000 Ni\n0.500001 0.500000 0.500000 Ni\n0.268746 0.258511 0.258511 O\n0.257104 0.268675 0.717119 O\n0.257104 0.717118 0.268676 O\n0.714233 0.258511 0.258511 O\n0.285769 0.741488 0.741489 O\n0.742898 0.731324 0.282882 O\n0.742898 0.282881 0.731325 O\n0.731256 0.741488 0.741489 O\n",
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{
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"created_at": "2022-09-04T14:38:41.221916Z",
"updated_at": "2022-09-04T14:38:41.221942Z",
"structure_string": "Yb4 Sc4 Sb4 O1\n1.0\n4.448349 0.000000 0.000000\n0.000000 4.448349 -0.000000\n0.000000 0.000000 16.033059\nYb Sc Sb O\n4 4 4 1\ndirect\n0.500000 0.500000 0.330625 Yb\n0.000000 0.000000 0.835067 Yb\n0.000000 0.000000 0.164933 Yb\n0.500000 0.500000 0.669375 Yb\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.131760 Sb\n0.000000 0.000000 0.632468 Sb\n0.000000 0.000000 0.367532 Sb\n0.500000 0.500000 0.868240 Sb\n0.000000 0.000000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:38:34.295155Z",
"structure_string": "Li4 Si4 N4 O4\n1.0\n4.785311 0.000000 0.000000\n0.000000 5.219618 0.000000\n0.000000 0.000000 6.365193\nLi Si N O\n4 4 4 4\ndirect\n0.997214 0.598415 0.387796 Li\n0.497214 0.401585 0.612203 Li\n0.497214 0.901585 0.387796 Li\n0.997214 0.098415 0.612203 Li\n0.511268 0.419579 0.121719 Si\n0.511268 0.919579 0.878281 Si\n0.011268 0.080421 0.121719 Si\n0.011268 0.580421 0.878281 Si\n0.147119 0.391523 0.086769 N\n0.647118 0.608477 0.913231 N\n0.647118 0.108477 0.086769 N\n0.147119 0.891523 0.913231 N\n0.594399 0.042374 0.653647 O\n0.094399 0.457626 0.653647 O\n0.094399 0.957626 0.346353 O\n0.594399 0.542374 0.346353 O\n",
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{
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"created_at": "2022-09-04T14:38:46.436419Z",
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"structure_string": "Li4 Mn4 Co2 O12\n1.0\n4.859938 -0.000080 -0.405746\n-2.429851 4.232613 0.202710\n-0.804827 -0.000443 9.889351\nLi Mn Co O\n4 4 2 12\ndirect\n0.586222 0.327629 0.740402 Li\n0.741366 0.327533 0.259573 Li\n0.258636 0.672467 0.740427 Li\n0.413780 0.672372 0.259597 Li\n0.839061 0.678117 0.500004 Mn\n0.666695 0.333354 -0.000006 Mn\n0.333304 0.666646 0.000005 Mn\n0.160938 0.321882 0.499996 Mn\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.129351 0.657986 0.395064 O\n0.964125 0.660887 0.893220 O\n0.870649 0.342014 0.604937 O\n0.471355 0.342001 0.395056 O\n0.303210 0.339058 0.893255 O\n0.211167 0.000020 0.610414 O\n0.788833 -0.000020 0.389585 O\n0.625642 -0.000026 0.892820 O\n0.374359 0.000027 0.107178 O\n0.528645 0.657997 0.604944 O\n0.696790 0.660942 0.106743 O\n0.035875 0.339114 0.106777 O\n",
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"formula_full": "Li4 Mn4 Co2 O12",
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{
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"created_at": "2022-09-04T14:38:34.231588Z",
"updated_at": "2022-09-04T14:38:34.231602Z",
"structure_string": "Ba1 Mo4 P2 O16\n1.0\n6.590072 -0.000000 -3.630143\n-1.999665 6.279362 -3.630143\n-0.050806 -0.069499 7.704568\nBa Mo P O\n1 4 2 16\ndirect\n0.000000 0.000000 0.000000 Ba\n0.246276 0.491512 0.737789 Mo\n0.753724 0.753724 0.262212 Mo\n0.491512 0.246276 0.737789 Mo\n0.508487 0.508487 0.262212 Mo\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.034754 0.546401 0.841487 O\n0.283634 0.283634 0.825834 O\n0.359597 0.076239 0.435837 O\n0.457801 0.716365 0.174166 O\n0.704915 0.965245 0.158514 O\n0.716365 0.457800 0.174166 O\n0.965245 0.704915 0.158514 O\n0.806730 0.295085 0.841487 O\n0.295085 0.806730 0.841487 O\n0.923761 0.923760 0.564164 O\n0.546401 0.034755 0.841487 O\n0.542199 0.542199 0.825834 O\n0.193269 0.453598 0.158514 O\n0.076239 0.359597 0.435837 O\n0.453598 0.193269 0.158514 O\n0.640402 0.640402 0.564164 O\n",
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{
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"created_at": "2022-09-04T14:38:34.241636Z",
"updated_at": "2022-09-04T14:38:34.241661Z",
"structure_string": "Li2 Dy2 S4 O16\n1.0\n7.486568 -0.000000 0.000000\n0.000000 7.486568 0.000000\n-0.000000 -0.000000 5.849598\nLi Dy S O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n-0.000000 0.500000 0.250000 Dy\n0.500000 0.000000 0.750000 Dy\n0.776478 0.723523 0.750000 S\n0.223522 0.276478 0.750000 S\n0.723523 0.223522 0.250000 S\n0.276478 0.776478 0.250000 S\n0.708206 0.405401 0.346421 O\n0.291795 0.594600 0.346421 O\n0.094599 0.791795 0.153579 O\n0.905401 0.208205 0.153579 O\n0.405401 0.291795 0.653579 O\n0.594600 0.708206 0.653579 O\n0.185530 0.414388 0.932530 O\n0.414388 0.814471 0.067470 O\n0.314470 0.914388 0.432530 O\n0.685530 0.085612 0.432530 O\n0.208205 0.094599 0.846421 O\n0.585613 0.185530 0.067470 O\n0.085612 0.314470 0.567470 O\n0.914388 0.685530 0.567470 O\n0.814471 0.585613 0.932530 O\n0.791795 0.905401 0.846421 O\n",
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{
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"structure_string": "Li4 Mn2 V6 O16\n1.0\n5.778700 0.000311 -0.000032\n2.889117 4.892008 -1.668965\n0.000091 0.001266 10.009169\nLi Mn V O\n4 2 6 16\ndirect\n0.320251 0.359536 0.559925 Li\n0.820211 0.359535 0.059925 Li\n0.745697 0.508695 0.751444 Li\n0.245610 0.508695 0.251441 Li\n0.188609 0.622792 0.937137 Mn\n0.688603 0.622791 0.437136 Mn\n0.499341 0.001281 0.010198 V\n0.734438 0.001261 0.245195 V\n0.264373 0.001333 0.245250 V\n0.234308 0.001329 0.745239 V\n0.764312 0.001263 0.745207 V\n-0.000642 0.001281 0.510199 V\n0.120977 0.222210 0.626344 O\n0.338945 0.788252 0.375727 O\n0.838942 0.788301 0.875740 O\n0.872756 0.788303 0.375741 O\n0.372805 0.788254 0.875728 O\n0.620932 0.222232 0.126355 O\n0.156807 0.222212 0.126347 O\n0.620807 0.758407 0.126396 O\n0.388877 0.222240 0.358420 O\n0.888885 0.222238 0.858419 O\n0.892420 0.215209 0.369204 O\n0.392367 0.215209 0.869204 O\n0.605869 0.788265 0.642665 O\n0.120789 0.758407 0.626395 O\n0.656830 0.222233 0.626358 O\n0.105872 0.788265 0.142665 O\n",
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{
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"created_at": "2022-09-04T14:38:34.242797Z",
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"structure_string": "Na3 Mo1 O3 F3\n1.0\n4.937018 0.004096 3.148950\n1.728539 4.624535 3.148950\n0.005899 0.004096 5.855767\nNa Mo O F\n3 1 3 3\ndirect\n0.773065 0.773066 0.773063 Na\n0.490206 0.490206 0.490205 Na\n0.271018 0.271018 0.271019 Na\n-0.000217 -0.000217 -0.000217 Mo\n0.310624 0.746984 0.093993 O\n0.093993 0.310624 0.746983 O\n0.746983 0.093993 0.310625 O\n0.641024 0.176598 0.870909 F\n0.176597 0.870909 0.641023 F\n0.870909 0.641023 0.176597 F\n",
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{
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"created_at": "2022-09-04T14:38:46.168747Z",
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"structure_string": "Li3 Fe1 Cu3 O8\n1.0\n5.006613 -0.063547 2.908828\n1.643968 4.729438 2.908828\n-0.090578 -0.063547 5.789582\nLi Fe Cu O\n3 1 3 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 -0.000000 0.000000 Li\n0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000001 0.500000 Cu\n0.262431 0.262431 0.262431 O\n0.774408 0.774408 0.229466 O\n0.229466 0.774408 0.774409 O\n0.737569 0.737569 0.737570 O\n0.774408 0.229465 0.774409 O\n0.225591 0.225591 0.770534 O\n0.770534 0.225591 0.225592 O\n0.225591 0.770534 0.225591 O\n",
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{
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"created_at": "2022-09-04T14:38:45.792149Z",
"updated_at": "2022-09-04T14:38:45.792169Z",
"structure_string": "Rb2 Ce1 Ag1 Cl6\n1.0\n6.620291 -0.000000 3.822227\n2.206764 6.241670 3.822227\n-0.000000 -0.000000 7.644454\nRb Ce Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.751757 0.248243 0.248243 Cl\n0.248243 0.248243 0.751757 Cl\n0.248243 0.751757 0.751757 Cl\n0.248243 0.751757 0.248244 Cl\n0.751757 0.248243 0.751757 Cl\n0.751756 0.751757 0.248244 Cl\n",
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]
}