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{
"id": "jvasp-9102",
"created_at": "2022-09-04T14:37:27.588939Z",
"updated_at": "2022-09-04T14:37:27.588971Z",
"structure_string": "Sm6 O9\n1.0\n3.623282 0.000000 -0.000000\n-1.811641 7.032288 -1.247458\n-0.000000 0.020723 8.886888\nSm O\n6 9\ndirect\n0.033639 0.067277 0.812121 Sm\n0.966361 0.932722 0.187879 Sm\n0.309714 0.619426 0.862254 Sm\n0.690286 0.380574 0.137746 Sm\n0.365139 0.730277 0.511931 Sm\n0.634861 0.269723 0.488069 Sm\n0.500000 -0.000000 0.000000 O\n0.527029 0.054057 0.655698 O\n0.472971 0.945943 0.344302 O\n0.203752 0.407504 0.625966 O\n0.796248 0.592496 0.374033 O\n0.175188 0.350375 0.971840 O\n0.128858 0.257715 0.284676 O\n0.871142 0.742285 0.715323 O\n0.824812 0.649625 0.028159 O\n",
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"structure_string": "Rb4 S6\n1.0\n6.417512 -0.028226 -0.000000\n-2.029109 6.088348 0.000000\n0.000000 -0.000000 7.634640\nRb S\n4 6\ndirect\n0.427554 0.572445 0.813296 Rb\n0.572445 0.427554 0.313296 Rb\n0.895658 0.104341 0.538719 Rb\n0.104341 0.895659 0.038719 Rb\n0.387090 0.064128 0.653383 S\n0.612910 0.935872 0.153383 S\n0.935871 0.612910 0.653383 S\n0.064128 0.387090 0.153383 S\n0.794289 0.205710 -0.001379 S\n0.205711 0.794289 0.498621 S\n",
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},
{
"id": "jvasp-22549",
"created_at": "2022-09-04T14:37:31.113181Z",
"updated_at": "2022-09-04T14:37:31.113205Z",
"structure_string": "Ga4 Te6\n1.0\n8.474904 0.008726 0.006170\n6.367516 10.954432 -0.047498\n4.245012 4.853709 3.432090\nGa Te\n4 6\ndirect\n0.121408 0.993109 0.246179 Ga\n0.125913 0.667464 0.258119 Ga\n0.621408 0.340224 0.225507 Ga\n0.625913 0.665870 0.260511 Ga\n0.977230 0.004873 0.998342 Te\n0.010310 0.321406 0.037930 Te\n0.510309 0.011927 0.002149 Te\n0.015140 0.633789 0.028467 Te\n0.477231 0.328460 0.012961 Te\n0.515139 0.699545 0.929833 Te\n",
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"volume": 320.2926816289977,
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"formula_full": "Ga4 Te6",
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"spacegroup": 9
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{
"id": "jvasp-16519",
"created_at": "2022-09-04T14:37:42.152846Z",
"updated_at": "2022-09-04T14:37:42.152878Z",
"structure_string": "Ga3 Ni2\n1.0\n2.034439 -3.523752 0.000000\n2.034439 3.523752 -0.000000\n0.000000 -0.000000 4.906810\nGa Ni\n3 2\ndirect\n0.666667 0.333333 0.639252 Ga\n0.333333 0.666667 0.360748 Ga\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.142368 Ni\n0.333333 0.666667 0.857632 Ni\n",
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{
"id": "jvasp-39526",
"created_at": "2022-09-04T14:37:41.034927Z",
"updated_at": "2022-09-04T14:37:41.034951Z",
"structure_string": "Si12 N8\n1.0\n6.713527 -0.000000 0.000000\n-0.000000 6.713527 -0.000000\n0.000000 -0.000000 6.713527\nSi N\n12 8\ndirect\n0.821627 0.821627 0.500000 Si\n0.178374 0.500000 0.178374 Si\n0.821627 0.500000 0.821627 Si\n0.821627 0.500000 0.178374 Si\n0.500000 0.821627 0.821627 Si\n0.500000 0.178374 0.178374 Si\n0.178374 0.500000 0.821627 Si\n0.500000 0.821627 0.178374 Si\n0.821627 0.178374 0.500000 Si\n0.178374 0.821627 0.500000 Si\n0.178374 0.178374 0.500000 Si\n0.500000 0.178374 0.821627 Si\n0.721131 0.278869 0.278869 N\n0.721132 0.721132 0.278869 N\n0.278869 0.278869 0.278869 N\n0.278869 0.721132 0.721132 N\n0.721132 0.278869 0.721132 N\n0.278869 0.278869 0.721131 N\n0.721131 0.721131 0.721131 N\n0.278869 0.721131 0.278869 N\n",
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},
{
"id": "jvasp-20390",
"created_at": "2022-09-04T14:37:42.202265Z",
"updated_at": "2022-09-04T14:37:42.202286Z",
"structure_string": "V6 B4\n1.0\n5.730548 -0.000000 -0.000000\n0.000000 5.730548 0.000000\n-0.000000 0.000000 3.020410\nV B\n6 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.320492 0.820493 0.500000 V\n0.820493 0.679508 0.500000 V\n0.179508 0.320492 0.500000 V\n0.679508 0.179508 0.500000 V\n0.109497 0.609497 0.000000 B\n0.609497 0.890503 0.000000 B\n0.390503 0.109497 0.000000 B\n0.890503 0.390503 0.000000 B\n",
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],
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"density": 5.8409453774456335,
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"formula_full": "V6 B4",
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"spacegroup": 127
},
{
"id": "jvasp-41030",
"created_at": "2022-09-04T14:37:42.051856Z",
"updated_at": "2022-09-04T14:37:42.051873Z",
"structure_string": "Ag4 Cl6\n1.0\n-6.635291 0.000000 0.000000\n3.317645 -5.746330 0.000000\n-3.317645 1.915444 6.047650\nAg Cl\n4 6\ndirect\n0.657347 0.342654 0.027961 Ag\n0.842653 0.157348 0.472040 Ag\n0.157346 0.842653 0.527960 Ag\n0.342654 0.657348 0.972040 Ag\n0.929685 0.429684 0.250000 Cl\n0.570316 0.749999 0.250000 Cl\n0.250000 0.070316 0.250000 Cl\n0.750001 0.929685 0.749999 Cl\n0.429684 0.250000 0.749999 Cl\n0.070316 0.570316 0.749999 Cl\n",
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"elements": [
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"density": 4.6390219711351826,
"density_atomic": 0.04336734288748473,
"volume": 230.58825683521124,
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"formula_full": "Ag4 Cl6",
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"spacegroup": 167
},
{
"id": "jvasp-20400",
"created_at": "2022-09-04T14:37:40.339284Z",
"updated_at": "2022-09-04T14:37:40.339300Z",
"structure_string": "Nb3 Au2\n1.0\n3.348012 -0.000000 -0.729909\n-0.159130 3.344228 -0.729909\n0.001250 0.001312 8.049170\nNb Au\n3 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.400086 0.400087 0.800174 Nb\n0.599913 0.599913 0.199826 Nb\n0.199089 0.199089 0.398177 Au\n0.800910 0.800911 0.601822 Au\n",
"nsites": 5,
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"formula_full": "Nb3 Au2",
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},
{
"id": "jvasp-58351",
"created_at": "2022-09-04T14:37:49.330416Z",
"updated_at": "2022-09-04T14:37:49.330427Z",
"structure_string": "Tb8 C12\n1.0\n6.755537 0.000000 -2.388443\n-3.377768 5.850466 -2.388443\n-0.000000 -0.000000 7.165328\nTb C\n8 12\ndirect\n0.101929 0.101929 0.101929 Tb\n0.000000 0.898071 0.500001 Tb\n0.500000 0.000000 0.898071 Tb\n0.000000 0.398071 0.500000 Tb\n0.500000 0.000000 0.398071 Tb\n0.398071 0.500000 0.000001 Tb\n0.601930 0.601930 0.601930 Tb\n0.898071 0.500000 0.000001 Tb\n0.794533 0.044532 0.750001 C\n0.044532 0.750001 0.794533 C\n0.750000 0.794533 0.044533 C\n0.705468 0.455468 0.250001 C\n0.250000 0.705468 0.455469 C\n0.955468 0.205468 0.750001 C\n0.205468 0.750001 0.955469 C\n0.544532 0.294532 0.250001 C\n0.294532 0.250000 0.544533 C\n0.750000 0.955468 0.205469 C\n0.250000 0.544533 0.294533 C\n0.455468 0.250000 0.705468 C\n",
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"density": 8.300077193039465,
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},
{
"id": "jvasp-13971",
"created_at": "2022-09-04T14:37:42.175629Z",
"updated_at": "2022-09-04T14:37:42.175644Z",
"structure_string": "Nd2 O3\n1.0\n3.113754 -5.393180 0.000000\n3.113754 5.393180 0.000000\n0.000000 0.000000 3.215323\nNd O\n2 3\ndirect\n0.666666 0.333332 0.500000 Nd\n0.333332 0.666666 0.500000 Nd\n0.499863 0.999999 0.000000 O\n0.999999 0.499863 0.000000 O\n0.500136 0.500136 0.000000 O\n",
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"formula_full": "Nd2 O3",
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},
{
"id": "jvasp-20291",
"created_at": "2022-09-04T14:37:35.652966Z",
"updated_at": "2022-09-04T14:37:35.652984Z",
"structure_string": "Sm16 O24\n1.0\n8.954383 -0.000000 -3.165853\n-4.477192 7.754724 -3.165853\n0.000000 0.000000 9.497558\nSm O\n16 24\ndirect\n0.250000 0.718879 0.468880 Sm\n0.500000 0.500000 0.500000 Sm\n-0.000000 -0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n-0.000000 0.500000 0.000000 Sm\n0.250000 0.218879 0.968880 Sm\n0.531120 0.750000 0.281121 Sm\n0.281121 0.531120 0.750000 Sm\n0.968879 0.250000 0.218880 Sm\n0.750000 0.281121 0.531121 Sm\n0.750000 0.781120 0.031121 Sm\n0.718879 0.468879 0.250000 Sm\n0.468879 0.250000 0.718880 Sm\n0.781120 0.031121 0.750000 Sm\n0.218879 0.968879 0.250000 Sm\n0.031121 0.750000 0.781121 Sm\n0.230121 0.458488 0.470752 O\n0.029248 0.487736 0.759369 O\n0.228367 0.269879 0.740631 O\n0.271632 0.012263 0.041512 O\n0.529248 0.769879 0.541512 O\n0.269879 0.740631 0.228368 O\n0.987736 0.958488 0.728368 O\n0.259369 0.771632 0.730121 O\n0.512263 0.240631 0.970752 O\n0.958488 0.728367 0.987737 O\n0.730120 0.259369 0.771633 O\n0.240631 0.970751 0.512264 O\n0.541512 0.529248 0.769880 O\n0.759369 0.029248 0.487737 O\n0.769879 0.541512 0.529249 O\n0.771632 0.730120 0.259369 O\n0.970751 0.512263 0.240631 O\n0.470751 0.230121 0.458488 O\n0.012263 0.041512 0.271632 O\n0.740631 0.228367 0.269880 O\n0.487736 0.759369 0.029249 O\n0.041512 0.271632 0.012263 O\n0.728367 0.987736 0.958489 O\n0.458488 0.470751 0.230121 O\n",
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{
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"created_at": "2022-09-04T14:37:49.519923Z",
"updated_at": "2022-09-04T14:37:49.519942Z",
"structure_string": "Pu6 O4\n1.0\n-6.152107 -0.000000 -0.000000\n3.076054 -5.327881 0.000000\n-3.076054 1.775961 5.535663\nPu O\n6 4\ndirect\n0.250001 0.082572 0.249999 Pu\n0.917429 0.417428 0.249999 Pu\n0.582574 0.750001 0.249999 Pu\n0.417427 0.250000 0.749999 Pu\n0.082573 0.582572 0.749999 Pu\n0.750001 0.917426 0.749999 Pu\n0.662862 0.337138 0.011414 O\n0.837137 0.162862 0.488584 O\n0.162862 0.837139 0.511415 O\n0.337138 0.662862 0.988585 O\n",
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"volume": 181.4462678749217,
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"formula_full": "Pu6 O4",
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"spacegroup": 167
}
]
}