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"results": [
{
"id": "jvasp-48166",
"created_at": "2022-09-04T14:35:41.426912Z",
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"structure_string": "Li1 Mn5 O3 F5\n1.0\n-0.012728 4.475342 4.475342\n4.456801 0.034823 4.426557\n4.456801 4.426557 0.034823\nLi Mn O F\n1 5 3 5\ndirect\n0.647271 0.608413 0.608413 Li\n0.992844 0.968586 0.968586 Mn\n0.219279 0.288791 0.288791 Mn\n0.638905 0.133490 0.613532 Mn\n0.638905 0.613532 0.133490 Mn\n0.129438 0.625421 0.625421 Mn\n0.383787 0.399813 0.399813 O\n0.847087 0.387689 0.387689 O\n0.860968 0.848932 0.848932 O\n0.387029 0.871674 0.392168 F\n0.387029 0.392168 0.871674 F\n0.865684 0.378381 0.863904 F\n0.865684 0.863904 0.378381 F\n0.386090 0.869203 0.869203 F\n",
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{
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"structure_string": "Li4 Fe4 Se8 O24\n1.0\n8.379714 0.006090 -2.690483\n-4.454312 7.097703 -2.690511\n-0.003367 -0.006127 8.801068\nLi Fe Se O\n4 4 8 24\ndirect\n0.374997 0.689964 0.814956 Li\n0.310040 0.124997 0.685040 Li\n0.874991 0.560035 0.185033 Li\n0.439961 0.624999 0.314959 Li\n0.165867 0.625000 0.040866 Fe\n0.875000 0.834135 0.459136 Fe\n0.375000 0.415864 0.540865 Fe\n0.584134 0.124999 0.959135 Fe\n0.130680 0.962364 0.274870 Se\n0.062505 0.287633 0.668315 Se\n0.605810 0.937500 0.225128 Se\n0.037628 0.312503 0.168310 Se\n0.712369 0.380678 0.774873 Se\n0.144191 0.869318 0.831690 Se\n0.619317 0.394188 0.331685 Se\n0.687498 0.855812 0.725130 Se\n0.263127 0.880539 0.212177 O\n0.697289 0.572284 0.272259 O\n0.630539 0.513122 0.712174 O\n0.175036 0.550024 0.227741 O\n0.949048 0.736876 0.617416 O\n0.486873 0.199047 0.117413 O\n0.685953 0.840795 0.520296 O\n0.429499 0.409204 0.345158 O\n0.081635 0.369461 0.882585 O\n0.800951 0.918367 0.287829 O\n0.574967 0.302706 0.874991 O\n0.052704 0.824963 0.374990 O\n0.834343 0.314052 0.154841 O\n0.159209 0.679503 0.845161 O\n0.668365 0.050952 0.787827 O\n0.064051 0.084343 0.654843 O\n0.590790 0.935950 0.020294 O\n0.915657 0.570494 0.979706 O\n0.449977 0.677715 0.625008 O\n0.119461 0.331634 0.382582 O\n0.320497 0.165657 0.479707 O\n0.322281 0.947289 0.772259 O\n0.427718 0.699979 0.125012 O\n0.300026 0.425037 0.727741 O\n",
"nsites": 40,
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"formula_full": "Li4 Fe4 Se8 O24",
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{
"id": "jvasp-91635",
"created_at": "2022-09-04T14:36:22.507736Z",
"updated_at": "2022-09-04T14:36:22.507753Z",
"structure_string": "Cu2 Si1 Ni1 S4\n1.0\n-4.771866 0.000000 0.138940\n0.174342 0.000000 -4.772338\n0.000000 -6.214343 0.000000\nCu Si Ni S\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Si\n0.500001 0.500000 0.000000 Ni\n0.253465 0.253457 0.756601 S\n0.253465 0.253457 0.243398 S\n0.746536 0.746543 0.243398 S\n0.746536 0.746543 0.756601 S\n",
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"formula_full": "Cu2 Si1 Ni1 S4",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-48650",
"created_at": "2022-09-04T14:38:06.882967Z",
"updated_at": "2022-09-04T14:38:06.882992Z",
"structure_string": "Li1 Mn7 O3 F9\n1.0\n6.270094 0.017364 -0.009833\n0.024331 6.329564 -0.017272\n0.033363 0.001248 6.356134\nLi Mn O F\n1 7 3 9\ndirect\n0.512032 0.491731 0.510148 Li\n0.061301 0.566837 0.241896 Mn\n0.434706 0.261799 0.055761 Mn\n0.236587 0.927204 0.546888 Mn\n0.987132 0.035150 0.033308 Mn\n0.738418 0.033758 0.418676 Mn\n0.568559 0.765944 0.950157 Mn\n0.961016 0.430941 0.749607 Mn\n0.658676 0.042098 0.100528 O\n0.026407 0.877279 0.317218 O\n0.117941 0.334932 0.027569 O\n0.447403 0.579614 0.202237 F\n0.206670 0.567227 0.571849 F\n0.422395 0.190537 0.454061 F\n0.569094 0.802732 0.591028 F\n0.287051 0.933890 0.876363 F\n0.818783 0.410921 0.431443 F\n0.600332 0.438891 0.815834 F\n0.941090 0.097929 0.685708 F\n0.904391 0.710578 0.919724 F\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:36:05.466509Z",
"updated_at": "2022-09-04T14:36:05.466538Z",
"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.551054 4.551054 3.314955\n4.551054 -4.551054 3.314955\n4.551054 4.551054 -3.314955\nSr Cu B O\n2 4 4 12\ndirect\n0.749999 0.749999 0.000000 Sr\n0.250000 0.250000 0.000000 Sr\n0.614050 0.885948 0.500000 Cu\n0.385949 0.114051 0.500000 Cu\n0.885948 0.385949 0.271897 Cu\n0.114051 0.614050 0.728102 Cu\n0.703973 0.203973 0.907946 B\n0.203973 0.296026 0.500000 B\n0.296026 0.796026 0.092053 B\n0.796026 0.703973 0.500000 B\n0.598030 0.098031 0.696061 O\n0.401969 0.901968 0.303938 O\n0.901968 0.598030 0.500000 O\n0.672006 0.353214 0.025221 O\n0.327993 0.646785 0.974779 O\n0.353214 0.327993 0.681207 O\n0.646785 0.672006 0.318792 O\n0.827992 0.853214 0.681207 O\n0.172007 0.146785 0.318792 O\n0.146785 0.827992 0.974779 O\n0.853214 0.172007 0.025221 O\n0.098031 0.401969 0.500000 O\n",
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"elements": [
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"formula_full": "Sr2 Cu4 B4 O12",
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{
"id": "jvasp-15822",
"created_at": "2022-09-04T14:35:56.686644Z",
"updated_at": "2022-09-04T14:35:56.686672Z",
"structure_string": "Sn2 P6\n1.0\n5.593711 0.032338 0.628381\n0.565327 5.565164 0.628381\n0.035581 0.032338 5.628783\nSn P\n2 6\ndirect\n0.744201 0.744200 0.744200 Sn\n0.255800 0.255800 0.255799 Sn\n0.202020 0.202020 0.743173 P\n0.202020 0.743173 0.202019 P\n0.797980 0.256827 0.797979 P\n0.797981 0.797980 0.256826 P\n0.256827 0.797980 0.797980 P\n0.743173 0.202020 0.202019 P\n",
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},
{
"id": "jvasp-67940",
"created_at": "2022-09-04T14:35:51.394483Z",
"updated_at": "2022-09-04T14:35:51.394510Z",
"structure_string": "Y2 Be1 Br1\n1.0\n3.525286 0.000000 -0.000000\n0.000000 3.525286 0.000000\n0.000000 0.000000 8.868799\nY Be Br\n2 1 1\ndirect\n0.000000 0.000000 0.983153 Y\n0.500001 0.500001 0.282571 Y\n0.000000 0.000000 0.443632 Be\n0.500001 0.500001 0.790643 Br\n",
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{
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"created_at": "2022-09-04T14:36:00.999254Z",
"updated_at": "2022-09-04T14:36:00.999285Z",
"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.549020 4.549020 3.318106\n4.549020 -4.549020 3.318106\n4.549020 4.549020 -3.318106\nSr Cu B O\n2 4 4 12\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.852584 0.852584 0.228176 Cu\n0.624407 0.624407 0.771824 Cu\n0.147417 0.375593 0.000000 Cu\n0.375593 0.147417 0.000000 Cu\n0.950028 0.542074 0.000000 B\n0.457927 0.457927 0.407954 B\n0.542074 0.950028 0.000000 B\n0.049973 0.049973 0.592046 B\n0.830833 0.634476 0.000000 O\n0.634476 0.830833 0.000000 O\n0.169168 0.169168 0.803643 O\n0.923976 0.398867 0.818738 O\n0.580129 0.105239 0.181262 O\n0.601134 0.419872 0.525110 O\n0.894762 0.076024 0.474890 O\n0.076024 0.894762 0.474890 O\n0.419872 0.601134 0.525110 O\n0.398867 0.923976 0.818738 O\n0.105239 0.580129 0.181262 O\n0.365525 0.365525 0.196357 O\n",
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"formula_full": "Sr2 Cu4 B4 O12",
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{
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"updated_at": "2022-09-04T14:38:08.042243Z",
"structure_string": "K2 In1 Cu1 Br6\n1.0\n6.537161 -0.000000 3.774232\n2.179054 6.163295 3.774232\n-0.000000 -0.000000 7.548464\nK In Cu Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.744502 0.255497 0.255497 Br\n0.255497 0.255497 0.744502 Br\n0.255497 0.744502 0.744502 Br\n0.255497 0.744502 0.255497 Br\n0.744502 0.255497 0.744502 Br\n0.744502 0.744502 0.255497 Br\n",
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"spacegroup": 225
},
{
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"created_at": "2022-09-04T14:38:48.685386Z",
"updated_at": "2022-09-04T14:38:48.685402Z",
"structure_string": "Li8 Fe4 O12\n1.0\n4.896672 -0.069112 0.865263\n-2.404183 8.129993 0.171452\n-0.039525 -0.121182 4.892809\nLi Fe O\n8 4 12\ndirect\n0.000001 0.500001 0.000003 Li\n0.999999 -0.000001 0.499997 Li\n0.500001 0.750001 0.750000 Li\n0.500000 0.249999 0.250000 Li\n0.000069 0.169504 0.008435 Li\n0.000075 0.669505 0.508437 Li\n-0.000071 0.830497 0.991562 Li\n-0.000070 0.330494 0.491564 Li\n0.500010 0.583416 0.250276 Fe\n0.499991 0.916583 0.249722 Fe\n0.500010 0.083419 0.750276 Fe\n0.499992 0.416582 0.749724 Fe\n0.723566 0.466611 0.390884 O\n0.727894 0.609791 0.890354 O\n0.727892 0.109790 0.390354 O\n0.272109 0.390210 0.109645 O\n0.272107 0.890209 0.609645 O\n0.723617 0.287952 0.854780 O\n0.723618 0.787952 0.354781 O\n0.276436 0.533390 0.609116 O\n0.276434 0.033389 0.109116 O\n0.276383 0.712048 0.145218 O\n0.276384 0.212049 0.645219 O\n0.723566 0.966610 0.890883 O\n",
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"formula_full": "Li8 Fe4 O12",
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},
{
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"created_at": "2022-09-04T14:35:47.626927Z",
"updated_at": "2022-09-04T14:35:47.626954Z",
"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.549308 4.549308 3.318005\n4.549308 -4.549308 3.318005\n4.549308 4.549308 -3.318005\nSr Cu B O\n2 4 4 12\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.853236 0.853236 0.228162 Cu\n0.625074 0.625074 0.771839 Cu\n0.146765 0.374927 0.000000 Cu\n0.374927 0.146765 0.000000 Cu\n0.950209 0.542248 0.000000 B\n0.457753 0.457753 0.407961 B\n0.542248 0.950209 0.000000 B\n0.049792 0.049792 0.592040 B\n0.831785 0.635456 0.000000 O\n0.635456 0.831785 0.000000 O\n0.168216 0.168216 0.803671 O\n0.923820 0.398687 0.818742 O\n0.579945 0.105078 0.181258 O\n0.601314 0.420056 0.525133 O\n0.894923 0.076181 0.474868 O\n0.076181 0.894923 0.474868 O\n0.420056 0.601314 0.525133 O\n0.398687 0.923820 0.818742 O\n0.105078 0.579945 0.181258 O\n0.364545 0.364545 0.196329 O\n",
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"elements": [
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],
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"density": 4.018106601859226,
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"volume": 274.6804238411485,
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"formula_full": "Sr2 Cu4 B4 O12",
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{
"id": "jvasp-100121",
"created_at": "2022-09-04T14:36:16.887536Z",
"updated_at": "2022-09-04T14:36:16.887559Z",
"structure_string": "Rb2 In1 Sb1 F6\n1.0\n5.828205 -0.000000 3.364916\n1.942735 5.494884 3.364916\n-0.000000 -0.000000 6.729831\nRb In Sb F\n2 1 1 6\ndirect\n0.749999 0.749999 0.750002 Rb\n0.250000 0.250000 0.250001 Rb\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Sb\n0.768577 0.231422 0.231423 F\n0.231422 0.231422 0.768579 F\n0.231421 0.768578 0.768579 F\n0.231421 0.768578 0.231423 F\n0.768577 0.231422 0.768579 F\n0.768577 0.768578 0.231424 F\n",
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}
]
}