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{
"id": "jvasp-10849",
"created_at": "2022-09-04T14:38:33.567933Z",
"updated_at": "2022-09-04T14:38:33.567957Z",
"structure_string": "Mg2 V4 O8\n1.0\n5.968039 0.000081 0.003492\n-2.983369 -5.167931 0.002098\n-2.980560 1.718038 -4.875857\nMg V O\n2 4 8\ndirect\n0.749999 0.874999 0.125002 Mg\n0.250002 0.125001 0.874999 Mg\n0.500000 0.000000 0.500001 V\n-0.000000 0.500000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.518870 0.259435 0.740657 O\n0.018868 0.278214 0.259441 O\n0.018884 0.740671 0.259433 O\n0.481119 0.740547 0.721794 O\n0.981116 0.259329 0.740567 O\n0.518882 0.259453 0.278207 O\n0.481130 0.740565 0.259344 O\n0.981132 0.721786 0.740559 O\n",
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{
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"structure_string": "Ho2 Fe8 Ge4\n1.0\n7.200081 -0.000000 0.000000\n0.000000 7.200081 0.000000\n-0.000000 -0.000000 3.769272\nHo Fe Ge\n2 8 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.582877 0.140615 -0.000000 Fe\n0.417123 0.859384 -0.000000 Fe\n0.640615 0.917123 0.500000 Fe\n0.082877 0.359385 0.500000 Fe\n0.359385 0.082877 0.500000 Fe\n0.917123 0.640615 0.500000 Fe\n0.140615 0.582877 -0.000000 Fe\n0.859384 0.417123 -0.000000 Fe\n0.281709 0.281709 -0.000000 Ge\n0.718290 0.718290 -0.000000 Ge\n0.781709 0.218291 0.500000 Ge\n0.218291 0.781709 0.500000 Ge\n",
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{
"id": "jvasp-116745",
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"updated_at": "2022-09-04T14:38:33.256574Z",
"structure_string": "Y2 Mg2 Mo2 S8\n1.0\n6.659063 0.000078 3.883893\n2.257337 6.174960 3.780144\n0.038953 -0.038854 7.583629\nY Mg Mo S\n2 2 2 8\ndirect\n0.500000 0.500001 0.499999 Y\n0.000000 0.499999 0.500001 Y\n0.874607 0.875398 0.875395 Mg\n0.125393 0.124603 0.124605 Mg\n0.500000 0.500000 -0.000001 Mo\n0.500000 0.000000 0.500000 Mo\n0.714741 0.756112 0.756114 S\n0.262515 0.241392 0.733582 S\n0.262509 0.733582 0.241393 S\n0.726965 0.243885 0.243890 S\n0.737489 0.266418 0.758607 S\n0.273035 0.756116 0.756109 S\n0.285259 0.243889 0.243885 S\n0.737486 0.758607 0.266417 S\n",
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"elements": [
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"density": 3.5969068714912384,
"density_atomic": 0.04493855381874042,
"volume": 311.5365050791126,
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{
"id": "jvasp-117005",
"created_at": "2022-09-04T14:38:48.006232Z",
"updated_at": "2022-09-04T14:38:48.006257Z",
"structure_string": "Sr3 La1 Co2 O8\n1.0\n6.793059 0.009294 0.000000\n-4.677946 4.925704 0.000000\n-0.000000 -0.000000 5.366777\nSr La Co O\n3 1 2 8\ndirect\n0.643213 0.356785 -0.000000 Sr\n0.359490 0.640509 -0.000000 Sr\n0.856518 0.143480 0.500000 Sr\n0.140232 0.859766 0.500000 La\n0.497486 0.502513 0.500000 Co\n0.997279 0.002719 -0.000000 Co\n0.841886 0.158112 -0.000000 O\n0.333999 0.665999 0.500000 O\n0.658266 0.341732 0.500000 O\n0.160254 0.839744 -0.000000 O\n0.755993 0.750310 0.746361 O\n0.249689 0.244005 0.253639 O\n0.249689 0.244005 0.746361 O\n0.755993 0.750310 0.253639 O\n",
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"density_atomic": 0.07786044064764228,
"volume": 179.80889760638595,
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{
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"created_at": "2022-09-04T14:38:30.671650Z",
"updated_at": "2022-09-04T14:38:30.671666Z",
"structure_string": "Ag2 B2 F10\n1.0\n6.633715 -0.000000 0.000000\n0.000000 6.633715 0.000000\n0.000000 0.000000 4.055367\nAg B F\n2 2 10\ndirect\n-0.000000 0.500000 0.808672 Ag\n0.500000 0.000000 0.191329 Ag\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.691211 F\n-0.000000 0.500000 0.308790 F\n0.082156 0.154563 0.799624 F\n0.345437 0.582156 0.799624 F\n0.845436 0.082156 0.200377 F\n0.582156 0.654563 0.200377 F\n0.417844 0.345437 0.200377 F\n0.154563 0.917843 0.200377 F\n0.654563 0.417844 0.799624 F\n0.917843 0.845436 0.799624 F\n",
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{
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"created_at": "2022-09-04T14:38:43.233653Z",
"updated_at": "2022-09-04T14:38:43.233680Z",
"structure_string": "Cu2 Ni1 Sn3 S8\n1.0\n6.367305 -0.002667 3.582713\n2.093789 6.013204 3.582713\n-0.003755 -0.002667 7.306051\nCu Ni Sn S\n2 1 3 8\ndirect\n0.385626 0.385625 0.385626 Cu\n0.614375 0.614373 0.614374 Cu\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 -0.000000 Sn\n0.000000 -0.000000 0.500000 Sn\n0.500000 -0.000000 0.000000 Sn\n0.764453 0.232878 0.764453 S\n0.747750 0.747749 0.747749 S\n0.767121 0.235547 0.235547 S\n0.235548 0.235547 0.767120 S\n0.235548 0.767120 0.235547 S\n0.252250 0.252250 0.252250 S\n0.232880 0.764452 0.764452 S\n0.764453 0.764452 0.232879 S\n",
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"density_atomic": 0.050018588620624985,
"volume": 279.8959424102413,
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"formula_full": "Cu2 Ni1 Sn3 S8",
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{
"id": "jvasp-116861",
"created_at": "2022-09-04T14:38:43.570501Z",
"updated_at": "2022-09-04T14:38:43.570528Z",
"structure_string": "Li2 Cr4 O8\n1.0\n5.761688 0.007614 0.821509\n2.809616 5.030225 0.821509\n0.683785 0.401899 4.941536\nLi Cr O\n2 4 8\ndirect\n0.647046 0.352954 0.250000 Li\n0.352954 0.647046 0.750001 Li\n0.370693 0.120472 0.758440 Cr\n0.629307 0.879528 0.241561 Cr\n0.879528 0.629306 0.741562 Cr\n0.120472 0.370694 0.258439 Cr\n0.722069 0.985036 0.512660 O\n0.525129 0.759945 0.979170 O\n0.277931 0.014965 0.487341 O\n0.759945 0.525129 0.479170 O\n0.985036 0.722068 0.012660 O\n0.474871 0.240055 0.020831 O\n0.240055 0.474871 0.520831 O\n0.014964 0.277932 0.987341 O\n",
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{
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"created_at": "2022-09-04T14:38:33.224975Z",
"updated_at": "2022-09-04T14:38:33.224993Z",
"structure_string": "Ca2 Ag4 O8\n1.0\n3.304738 0.000000 0.000000\n-1.652369 5.319911 0.000000\n0.000000 -0.000000 9.919954\nCa Ag O\n2 4 8\ndirect\n0.391021 0.782042 0.750000 Ca\n0.608979 0.217958 0.250000 Ca\n0.867430 0.734862 0.070232 Ag\n0.132570 0.265138 0.929767 Ag\n0.867430 0.734862 0.429768 Ag\n0.132570 0.265138 0.570232 Ag\n0.219695 0.439391 0.387220 O\n0.780305 0.560609 0.612780 O\n0.780305 0.560609 0.887220 O\n0.219695 0.439391 0.112780 O\n0.957134 0.914268 0.250000 O\n0.042866 0.085732 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:35:53.859022Z",
"updated_at": "2022-09-04T14:35:53.859042Z",
"structure_string": "Zn1 Cd1 Se4 C4 N4\n1.0\n4.346614 0.000022 1.256530\n2.173404 8.041662 0.628335\n-0.056163 0.000050 8.354681\nZn Cd Se C N\n1 1 4 4 4\ndirect\n0.749936 0.500115 0.500029 Zn\n0.499990 0.000009 -0.000004 Cd\n0.301369 0.718476 0.026543 Se\n0.672189 0.026509 0.281415 Se\n0.980792 0.973349 0.718622 Se\n0.045829 0.281269 0.973370 Se\n0.455185 0.641277 0.203842 C\n0.341002 0.203845 0.358698 C\n0.903965 0.796167 0.641266 C\n0.299859 0.358715 0.796164 C\n0.554894 0.588981 0.318062 N\n0.127029 0.318074 0.411091 N\n0.856395 0.682026 0.588883 N\n0.461559 0.411185 0.682023 N\n",
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{
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"created_at": "2022-09-04T14:35:56.420327Z",
"updated_at": "2022-09-04T14:35:56.420356Z",
"structure_string": "Li2 Fe3 Sb1 O8\n1.0\n5.964008 0.147028 0.103964\n3.109334 5.091468 0.103964\n3.109334 1.795175 4.765628\nLi Fe Sb O\n2 3 1 8\ndirect\n0.125932 0.125932 0.125931 Li\n0.874068 0.874069 0.874067 Li\n-0.000000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.500000 0.500001 -0.000001 Fe\n0.500000 0.500000 0.499999 Sb\n0.265920 0.265920 0.265920 O\n0.255030 0.255029 0.719407 O\n0.255030 0.719407 0.255029 O\n0.719407 0.255030 0.255029 O\n0.280592 0.744970 0.744969 O\n0.744970 0.280593 0.744969 O\n0.744970 0.744971 0.280592 O\n0.734079 0.734080 0.734079 O\n",
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{
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"created_at": "2022-09-04T14:35:49.984460Z",
"updated_at": "2022-09-04T14:35:49.984489Z",
"structure_string": "Sr2 H8 N4\n1.0\n-2.733144 2.733144 5.484319\n2.733144 -2.733144 5.484319\n2.733144 2.733144 -5.484319\nSr H N\n2 8 4\ndirect\n0.749999 0.250000 0.499999 Sr\n0.000000 0.000000 0.000000 Sr\n0.452740 0.101978 0.649237 H\n0.452740 0.803502 0.350762 H\n0.297260 0.446497 0.149237 H\n0.297259 0.148021 0.850761 H\n0.898022 0.547260 0.350762 H\n0.196497 0.547259 0.649237 H\n0.553502 0.702740 0.850761 H\n0.851978 0.702740 0.149237 H\n0.989396 0.489397 0.499999 N\n0.760603 0.760603 0.000000 N\n0.510603 0.010603 0.499999 N\n0.239397 0.239397 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:35:54.581189Z",
"updated_at": "2022-09-04T14:35:54.581209Z",
"structure_string": "Li1 Co5 O7 F1\n1.0\n-0.019108 4.028383 4.028383\n4.028383 -0.019108 4.028383\n4.028383 4.028383 -0.019108\nLi Co O F\n1 5 7 1\ndirect\n0.008629 0.008629 0.008629 Li\n0.245080 0.245080 0.245080 Co\n0.619331 0.619331 0.125579 Co\n0.619331 0.125579 0.619331 Co\n0.125579 0.619331 0.619331 Co\n0.625660 0.625660 0.625660 Co\n0.835904 0.387246 0.387246 O\n0.384470 0.384470 0.384470 O\n0.387246 0.835904 0.387246 O\n0.387246 0.387246 0.835904 O\n0.860601 0.860601 0.417319 O\n0.860601 0.417319 0.860601 O\n0.417319 0.860601 0.860601 O\n0.873000 0.873000 0.873000 F\n",
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]
}