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{
"id": "jvasp-61502",
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"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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{
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"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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"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-63583",
"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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{
"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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{
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"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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"volume": 141.3684381614141,
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"formula_full": "Cu2 Si1 Ni1 S4",
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{
"id": "jvasp-99151",
"created_at": "2022-09-04T14:36:31.063320Z",
"updated_at": "2022-09-04T14:36:31.063341Z",
"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",
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"formula_full": "Li4 Fe4 Se8 O24",
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{
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"created_at": "2022-09-04T14:35:41.426912Z",
"updated_at": "2022-09-04T14:35:41.426938Z",
"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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"created_at": "2022-09-04T14:37:33.806856Z",
"updated_at": "2022-09-04T14:37:33.806876Z",
"structure_string": "Na4 Ni4 F12\n1.0\n5.346565 0.000000 0.000000\n0.000000 5.576620 0.000000\n0.000000 0.000000 7.686630\nNa Ni F\n4 4 12\ndirect\n0.018534 0.935800 0.750000 Na\n0.518534 0.564200 0.250000 Na\n0.481467 0.435800 0.750000 Na\n0.981467 0.064200 0.250000 Na\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.610476 0.038486 0.750000 F\n0.110475 0.461514 0.250000 F\n0.692962 0.301950 0.056907 F\n0.192962 0.198050 0.943093 F\n0.807039 0.801950 0.443093 F\n0.192962 0.198050 0.556907 F\n0.307039 0.698050 0.943093 F\n0.807039 0.801950 0.056907 F\n0.389525 0.961514 0.250000 F\n0.692962 0.301950 0.443093 F\n0.307039 0.698050 0.556907 F\n0.889525 0.538486 0.750000 F\n",
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{
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{
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"created_at": "2022-09-04T14:37:36.782249Z",
"updated_at": "2022-09-04T14:37:36.782275Z",
"structure_string": "Rb6 Ni2 F14\n1.0\n7.932570 -0.000000 0.000000\n0.000000 7.932570 -0.000000\n-0.000000 -0.000000 5.883701\nRb Ni F\n6 2 14\ndirect\n0.187823 0.687823 0.500000 Rb\n0.687823 0.812177 0.500000 Rb\n0.312177 0.187823 0.500000 Rb\n0.812177 0.312177 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.338863 0.161137 0.000000 F\n0.838863 0.338863 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.612899 0.112899 0.219516 F\n0.112899 0.387101 0.219516 F\n0.112899 0.387101 0.780484 F\n0.387101 0.887101 0.219516 F\n0.887101 0.612899 0.780484 F\n0.661137 0.838863 0.000000 F\n0.612899 0.112899 0.780484 F\n0.387101 0.887101 0.780484 F\n0.887101 0.612899 0.219516 F\n0.161137 0.661137 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:35:50.661311Z",
"updated_at": "2022-09-04T14:35:50.661334Z",
"structure_string": "Mg2 Sc2 Se6\n1.0\n6.859132 0.461002 1.820605\n-3.879133 5.675609 1.820605\n0.188873 0.388939 6.443066\nMg Sc Se\n2 2 6\ndirect\n0.330291 0.669709 0.000001 Mg\n0.669709 0.330290 0.000001 Mg\n0.781297 0.781297 0.232147 Sc\n0.218703 0.218703 0.767855 Sc\n0.189044 0.885619 0.217052 Se\n0.810956 0.114381 0.782950 Se\n0.114381 0.810956 0.782950 Se\n0.885618 0.189043 0.217052 Se\n0.580918 0.580918 0.705369 Se\n0.419081 0.419081 0.294633 Se\n",
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}
]
}