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{
"id": "jvasp-44619",
"created_at": "2022-09-04T14:38:14.982496Z",
"updated_at": "2022-09-04T14:38:14.982506Z",
"structure_string": "Li5 Cr2 Fe5 O12\n1.0\n5.022532 0.178713 -0.127437\n2.353194 4.440749 0.127437\n-0.665628 1.062783 9.567632\nLi Cr Fe O\n5 2 5 12\ndirect\n0.167464 0.676785 0.509155 Li\n0.324233 0.840288 0.991614 Li\n0.676785 0.167464 0.990845 Li\n0.840289 0.324234 0.508386 Li\n0.920142 0.920142 0.750000 Li\n0.249192 0.249192 0.750000 Cr\n0.749767 0.749767 0.250000 Cr\n0.418555 0.418555 0.250000 Fe\n0.511334 0.000792 0.509799 Fe\n0.580196 0.580196 0.750000 Fe\n0.079213 0.079213 0.250000 Fe\n0.000792 0.511334 0.990201 Fe\n0.804799 0.026237 0.371784 O\n0.951003 0.225451 0.866154 O\n0.225451 0.951003 0.633846 O\n0.112711 0.368446 0.367450 O\n0.368446 0.112711 0.132550 O\n0.301094 0.530619 0.870082 O\n0.530619 0.301094 0.629918 O\n0.452476 0.728905 0.368612 O\n0.728904 0.452477 0.131388 O\n0.612409 0.867875 0.866148 O\n0.867875 0.612409 0.633852 O\n0.026237 0.804799 0.128216 O\n",
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"formula_full": "Li5 Cr2 Fe5 O12",
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{
"id": "jvasp-46461",
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"structure_string": "Li4 Cr2 Fe2 O8\n1.0\n-2.867713 0.000912 -0.002728\n-0.001555 -4.924232 0.009398\n1.424500 0.867096 9.530493\nLi Cr Fe O\n4 2 2 8\ndirect\n0.994888 -0.000028 -0.000385 Li\n0.746179 0.244738 0.502457 Li\n0.494865 0.499920 0.999602 Li\n0.243368 0.755375 0.496742 Li\n0.869678 0.624480 0.749159 Cr\n0.119967 0.375531 0.250048 Cr\n0.370123 0.124971 0.750053 Fe\n0.619517 0.875017 0.249142 Fe\n0.926693 0.306924 0.863249 O\n0.176256 0.056643 0.362683 O\n0.562667 0.189743 0.135391 O\n0.677077 0.561812 0.364331 O\n0.312553 0.438195 0.634876 O\n0.813379 0.943357 0.636510 O\n0.062951 0.693060 0.135947 O\n0.426974 0.810252 0.863812 O\n",
"nsites": 16,
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"elements": [
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"formula_full": "Li4 Cr2 Fe2 O8",
"formula_reduced": "Li2CrFeO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 12
},
{
"id": "jvasp-43146",
"created_at": "2022-09-04T14:36:40.507692Z",
"updated_at": "2022-09-04T14:36:40.507717Z",
"structure_string": "Li2 Cr3 Fe1 O8\n1.0\n5.810706 -0.011121 -0.007863\n2.895721 5.037779 -0.007863\n2.895721 1.671846 4.752284\nLi Cr Fe O\n2 3 1 8\ndirect\n0.122455 0.122455 0.122455 Li\n0.500007 0.500008 0.500008 Li\n0.013532 0.497378 0.497378 Cr\n0.497378 0.013533 0.497378 Cr\n0.497378 0.497378 0.013533 Cr\n0.881505 0.881507 0.881506 Fe\n0.259961 0.259961 0.259961 O\n0.248419 0.248421 0.714761 O\n0.248419 0.714762 0.248420 O\n0.714761 0.248420 0.248420 O\n0.278317 0.747473 0.747472 O\n0.747472 0.278319 0.747472 O\n0.747472 0.747473 0.278318 O\n0.742922 0.742923 0.742923 O\n",
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"elements": [
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"formula_full": "Li2 Cr3 Fe1 O8",
"formula_reduced": "Li2Cr3FeO8",
"formula_anonymous": "AB2C3D8",
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},
{
"id": "jvasp-43150",
"created_at": "2022-09-04T14:36:40.968230Z",
"updated_at": "2022-09-04T14:36:40.968250Z",
"structure_string": "Li4 Cr4 Fe2 O12\n1.0\n4.963798 0.034409 0.000000\n-2.464739 4.308774 -0.000000\n-0.000000 0.000000 9.954226\nLi Cr Fe O\n4 4 2 12\ndirect\n0.148486 0.648486 0.750000 Li\n0.351514 0.851513 0.250000 Li\n0.648486 0.148486 0.750000 Li\n0.851514 0.351514 0.250000 Li\n0.161365 0.838633 0.500000 Cr\n0.338634 0.661365 0.000000 Cr\n0.661366 0.338634 0.000000 Cr\n0.838634 0.161366 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.506294 0.168491 0.394146 O\n0.823215 0.823215 0.397888 O\n0.331509 0.993706 0.894147 O\n0.676784 0.676784 0.897888 O\n0.323216 0.323215 0.102112 O\n0.006293 0.668490 0.105854 O\n0.493706 0.831509 0.605854 O\n0.168490 0.506293 0.394146 O\n0.993707 0.331509 0.894147 O\n0.831509 0.493706 0.605854 O\n0.176784 0.176784 0.602112 O\n0.668491 0.006294 0.105854 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Li4 Cr4 Fe2 O12",
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"formula_anonymous": "AB2C2D6",
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{
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"created_at": "2022-09-04T14:37:54.115799Z",
"updated_at": "2022-09-04T14:37:54.115816Z",
"structure_string": "Li3 Cr3 Fe1 O8\n1.0\n5.788910 -0.007888 -0.002932\n-2.887524 5.017146 -0.000965\n-2.894408 -1.664764 4.767554\nLi Cr Fe O\n3 3 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.500001 0.500001 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.500001 0.500000 0.000001 Cr\n0.500000 -0.000000 0.000000 Cr\n0.000001 0.500001 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.483661 0.741825 0.225507 O\n0.982675 0.233484 0.216180 O\n0.982676 0.749183 0.216179 O\n0.516340 0.258176 0.774494 O\n0.466973 0.233481 0.216176 O\n0.017327 0.766518 0.783820 O\n0.017325 0.250818 0.783822 O\n0.533029 0.766521 0.783825 O\n",
"nsites": 15,
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"elements": [
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"formula_full": "Li3 Cr3 Fe1 O8",
"formula_reduced": "Li3Cr3FeO8",
"formula_anonymous": "AB3C3D8",
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},
{
"id": "jvasp-41334",
"created_at": "2022-09-04T14:37:34.790532Z",
"updated_at": "2022-09-04T14:37:34.790553Z",
"structure_string": "Li6 Cr3 Fe3 O12\n1.0\n4.967746 0.006616 0.003047\n0.818400 6.401027 0.047124\n0.822961 0.630702 6.369763\nLi Cr Fe O\n6 3 3 12\ndirect\n0.498300 0.163906 0.834461 Li\n0.499393 0.496765 0.500436 Li\n0.000581 -0.000462 0.003198 Li\n0.993052 0.338237 0.663922 Li\n0.506936 0.836139 0.161767 Li\n0.001712 0.665536 0.336089 Li\n0.750007 0.413742 0.086280 Cr\n0.250007 0.583910 0.916069 Cr\n0.250017 0.921055 0.578940 Cr\n0.750128 0.081299 0.418720 Fe\n0.249826 0.246485 0.253501 Fe\n0.750039 0.753824 0.746175 Fe\n0.120967 0.637990 0.633956 O\n0.877041 0.032998 0.695446 O\n0.623128 0.471016 0.802558 O\n0.879912 0.357899 0.366618 O\n0.876890 0.697471 0.028983 O\n0.619869 0.133492 0.142268 O\n0.384045 0.198828 0.529957 O\n0.379106 0.866030 0.861976 O\n0.623060 0.804642 0.467021 O\n0.121743 0.300866 0.971436 O\n0.378201 0.528464 0.199111 O\n0.116047 0.969877 0.301106 O\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Li6 Cr3 Fe3 O12",
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},
{
"id": "jvasp-45805",
"created_at": "2022-09-04T14:38:05.128865Z",
"updated_at": "2022-09-04T14:38:05.128890Z",
"structure_string": "Li8 Cr1 Fe3 O12\n1.0\n4.839255 -0.004218 -0.000412\n0.015366 4.840807 -0.000113\n0.000810 0.000096 8.253330\nLi Cr Fe O\n8 1 3 12\ndirect\n0.000000 0.499996 0.234002 Li\n0.999988 0.500002 0.923059 Li\n0.000002 -0.000005 0.251553 Li\n0.000001 0.000001 0.562484 Li\n0.499994 0.500000 0.068500 Li\n0.499996 0.500005 0.754019 Li\n0.499999 0.000000 0.418526 Li\n0.500005 0.000006 0.731867 Li\n0.000003 0.000001 0.898529 Cr\n0.499999 0.500001 0.401745 Fe\n0.500000 -0.000002 0.086660 Fe\n0.000001 0.500001 0.583453 Fe\n0.174797 0.713781 0.418515 O\n0.861141 0.252682 0.741877 O\n0.825205 0.286216 0.418514 O\n0.822386 0.214985 0.068655 O\n0.672078 0.782418 0.920096 O\n0.673777 0.715580 0.567620 O\n0.647987 0.750948 0.244262 O\n0.352015 0.249050 0.244262 O\n0.326227 0.284424 0.567618 O\n0.327924 0.217582 0.920098 O\n0.177618 0.785015 0.068653 O\n0.138860 0.747320 0.741877 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.011322224188508,
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"volume": 193.3422155425702,
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"formula_full": "Li8 Cr1 Fe3 O12",
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},
{
"id": "jvasp-43012",
"created_at": "2022-09-04T14:38:15.986912Z",
"updated_at": "2022-09-04T14:38:15.986927Z",
"structure_string": "Li2 Cr2 Fe2 O8\n1.0\n5.671868 -0.000000 -0.000000\n2.835934 5.020256 -0.000451\n2.835934 1.672994 4.733292\nLi Cr Fe O\n2 2 2 8\ndirect\n0.123565 0.126435 0.126435 Li\n0.876434 0.873565 0.873565 Li\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n-0.000001 0.500000 0.500000 Fe\n0.499999 0.500000 0.500000 Fe\n0.255730 0.265172 0.265172 O\n0.261096 0.266240 0.711567 O\n0.261096 0.711568 0.266240 O\n0.713925 0.265172 0.265172 O\n0.286074 0.734828 0.734828 O\n0.738903 0.733760 0.288432 O\n0.738903 0.288432 0.733760 O\n0.744269 0.734828 0.734828 O\n",
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],
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"volume": 134.78112156688195,
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"formula_full": "Li2 Cr2 Fe2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-46242",
"created_at": "2022-09-04T14:38:05.336490Z",
"updated_at": "2022-09-04T14:38:05.336522Z",
"structure_string": "Li4 Cr3 Fe1 O8\n1.0\n4.350425 2.511726 0.000749\n2.901146 -1.674552 4.754498\n2.900862 -5.024453 -0.000112\nLi Cr Fe O\n4 3 1 8\ndirect\n0.009649 0.996707 0.001649 Li\n0.990352 0.003294 0.498349 Li\n0.500000 0.000000 0.249999 Li\n0.500000 0.000000 0.749999 Li\n0.000000 0.500000 0.002972 Cr\n-0.000000 0.500001 0.497028 Cr\n0.500000 0.500001 0.749999 Cr\n0.500000 0.500000 0.249999 Fe\n0.244858 0.272558 0.363712 O\n0.241887 0.273206 0.863387 O\n0.740656 0.273850 0.115641 O\n0.259344 0.726151 0.384357 O\n0.259344 0.726151 0.889508 O\n0.755142 0.727443 0.136286 O\n0.740656 0.273851 0.610490 O\n0.758113 0.726795 0.636610 O\n",
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"formula_full": "Li4 Cr3 Fe1 O8",
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"formula_anonymous": "AB3C4D8",
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},
{
"id": "jvasp-47004",
"created_at": "2022-09-04T14:38:09.433986Z",
"updated_at": "2022-09-04T14:38:09.434009Z",
"structure_string": "Li5 Cr2 Fe3 O10\n1.0\n5.074119 0.041040 0.069348\n0.910919 4.936332 0.019342\n2.608726 2.080096 7.065844\nLi Cr Fe O\n5 2 3 10\ndirect\n0.503442 0.785872 0.408565 Li\n0.506858 0.607410 0.779506 Li\n0.999017 0.499267 0.500173 Li\n0.491239 0.391149 0.220808 Li\n0.494620 0.212668 0.591742 Li\n0.001893 0.901633 0.690210 Cr\n0.996184 0.096920 0.310123 Cr\n0.003182 0.689377 0.102274 Fe\n0.499023 0.999284 0.000156 Fe\n-0.005080 0.309173 0.898054 Fe\n0.223687 0.133881 0.455574 O\n0.226224 0.943335 0.846405 O\n0.774395 0.864671 0.544755 O\n0.743489 0.668182 0.941524 O\n0.254086 0.773800 0.236379 O\n0.227555 0.553957 0.663018 O\n0.770518 0.444589 0.337314 O\n0.743999 0.224761 0.763950 O\n0.254598 0.330385 0.058809 O\n0.771880 0.055220 0.153910 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.4049425671886295,
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"volume": 175.75412327488638,
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"formula_full": "Li5 Cr2 Fe3 O10",
"formula_reduced": "Li5Cr2Fe3O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
},
{
"id": "jvasp-92255",
"created_at": "2022-09-04T14:36:19.089048Z",
"updated_at": "2022-09-04T14:36:19.089064Z",
"structure_string": "Li2 Cr1 Fe1 O4\n1.0\n-2.866577 0.000049 -0.000011\n1.433285 -0.812957 -4.762687\n0.000086 -4.926866 0.008777\nLi Cr Fe O\n2 1 1 4\ndirect\n0.502849 0.005699 0.493646 Li\n-0.002850 -0.005699 0.006354 Li\n0.749999 0.500000 0.750001 Cr\n0.249999 0.500000 0.250000 Fe\n0.863301 0.726603 0.375248 O\n0.636698 0.273396 0.124753 O\n0.364525 0.729051 0.879078 O\n0.135472 0.270949 0.620924 O\n",
"nsites": 8,
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],
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"volume": 67.28510614934828,
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"formula_full": "Li2 Cr1 Fe1 O4",
"formula_reduced": "Li2CrFeO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 12
},
{
"id": "jvasp-46243",
"created_at": "2022-09-04T14:38:05.620429Z",
"updated_at": "2022-09-04T14:38:05.620461Z",
"structure_string": "Li4 Cr3 Ga1 O8\n1.0\n4.406586 2.544133 0.000681\n2.938214 -1.695679 4.774038\n2.937664 -5.088162 -0.000069\nLi Cr Ga O\n4 3 1 8\ndirect\n0.995576 0.001558 0.999220 Li\n0.004422 0.998442 0.500780 Li\n0.500000 -0.000000 0.250000 Li\n0.500000 -0.000000 0.750000 Li\n-0.000001 0.500000 -0.000018 Cr\n-0.000000 0.500000 0.500017 Cr\n0.499999 0.500000 0.750000 Cr\n0.500000 0.500000 0.250000 Ga\n0.240982 0.272810 0.363586 O\n0.241747 0.275980 0.862001 O\n0.742865 0.273137 0.112349 O\n0.257133 0.726864 0.387651 O\n0.257131 0.726866 0.885498 O\n0.759019 0.727190 0.136414 O\n0.742868 0.273134 0.614501 O\n0.758252 0.724019 0.638000 O\n",
"nsites": 16,
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"elements": [
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],
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"volume": 142.71521316574336,
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"formula_full": "Li4 Cr3 Ga1 O8",
"formula_reduced": "Li4Cr3GaO8",
"formula_anonymous": "AB3C4D8",
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"spacegroup": 12
}
]
}