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"results": [
{
"id": "jvasp-21161",
"created_at": "2022-09-04T14:37:49.798841Z",
"updated_at": "2022-09-04T14:37:49.798868Z",
"structure_string": "K2 Li2 Be2 F8\n1.0\n2.527103 -4.377071 -0.000000\n2.527103 4.377071 0.000000\n-0.000000 -0.000000 8.650791\nK Li Be F\n2 2 2 8\ndirect\n0.000000 0.000000 0.502184 K\n0.000000 0.000000 0.002185 K\n0.666666 0.333332 0.696574 Li\n0.333332 0.666666 0.196574 Li\n0.333332 0.666666 0.804110 Be\n0.666666 0.333332 0.304110 Be\n0.335127 0.372821 0.748523 F\n0.962304 0.335126 0.248523 F\n0.333332 0.666666 0.985560 F\n0.666666 0.333332 0.485560 F\n0.037694 0.664873 0.748523 F\n0.664872 0.627178 0.248523 F\n0.372821 0.037694 0.248523 F\n0.627178 0.962304 0.748523 F\n",
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{
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"structure_string": "K2 Be2 Pb1 F8\n1.0\n5.082974 0.000989 5.547973\n2.157895 4.602185 5.547973\n0.001555 0.000989 7.524401\nK Be Pb F\n2 2 1 8\ndirect\n0.202127 0.202127 0.202127 K\n0.797873 0.797873 0.797873 K\n0.596737 0.596737 0.596737 Be\n0.403263 0.403263 0.403263 Be\n0.000000 0.000000 0.000000 Pb\n0.257121 0.728303 0.728303 F\n0.728303 0.257121 0.728304 F\n0.728304 0.728303 0.257121 F\n0.327383 0.327383 0.327383 F\n0.672617 0.672617 0.672617 F\n0.271697 0.742878 0.271696 F\n0.271696 0.271696 0.742879 F\n0.742878 0.271696 0.271696 F\n",
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{
"id": "jvasp-21010",
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"updated_at": "2022-09-04T14:38:14.928269Z",
"structure_string": "Li12 Be6 F24\n1.0\n7.864062 0.001298 -2.519110\n-3.452506 7.065669 -2.519108\n0.000811 0.001297 8.257687\nLi Be F\n12 6 24\ndirect\n0.275620 0.102056 0.877010 Li\n0.102055 0.877010 0.275620 Li\n0.877009 0.275620 0.102056 Li\n0.724380 0.897945 0.122990 Li\n0.897944 0.122991 0.724381 Li\n0.122990 0.724381 0.897945 Li\n0.611999 0.438875 0.203643 Li\n0.438874 0.203643 0.612000 Li\n0.203642 0.612000 0.438875 Li\n0.388000 0.561126 0.796358 Li\n0.561125 0.796358 0.388000 Li\n0.796357 0.388001 0.561126 Li\n0.461694 0.053450 0.234010 Be\n0.234009 0.461694 0.053449 Be\n0.053449 0.234010 0.461694 Be\n0.538306 0.946551 0.765990 Be\n0.765990 0.538307 0.946551 Be\n0.946550 0.765991 0.538306 Be\n0.036188 0.362988 0.356717 F\n0.643283 0.963813 0.637012 F\n0.637012 0.643284 0.963812 F\n0.963812 0.637013 0.643284 F\n0.573068 0.930162 0.243314 F\n0.243314 0.573069 0.930162 F\n0.930161 0.243315 0.573068 F\n0.426932 0.069839 0.756686 F\n0.756685 0.426932 0.069839 F\n0.069838 0.756686 0.426932 F\n0.307448 0.975316 0.026699 F\n0.267225 0.311531 0.603993 F\n0.975315 0.026700 0.307449 F\n0.692551 0.024685 0.973301 F\n0.973300 0.692552 0.024684 F\n0.024684 0.973301 0.692552 F\n0.732775 0.688470 0.396007 F\n0.688469 0.396007 0.732775 F\n0.396006 0.732776 0.688469 F\n0.362988 0.356717 0.036188 F\n0.311530 0.603993 0.267225 F\n0.603993 0.267225 0.311531 F\n0.026699 0.307449 0.975316 F\n0.356717 0.036188 0.362988 F\n",
"nsites": 42,
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{
"id": "jvasp-21770",
"created_at": "2022-09-04T14:37:52.490094Z",
"updated_at": "2022-09-04T14:37:52.490102Z",
"structure_string": "Na4 Li2 Be4 F14\n1.0\n7.600023 0.000000 0.000000\n-0.000000 7.600023 -0.000000\n0.000000 0.000000 4.831777\nNa Li Be F\n4 2 4 14\ndirect\n0.834859 0.665140 0.492705 Na\n0.334859 0.834859 0.507296 Na\n0.665140 0.165141 0.507296 Na\n0.165141 0.334859 0.492705 Na\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.858311 0.358312 0.931799 Be\n0.358312 0.141688 0.068202 Be\n0.141688 0.641688 0.931799 Be\n0.641688 0.858311 0.068202 Be\n0.182815 0.083711 0.207304 F\n0.083711 0.817184 0.792697 F\n0.641929 0.858071 0.750831 F\n0.141929 0.641929 0.249170 F\n0.858071 0.358071 0.249170 F\n0.358071 0.141929 0.750831 F\n0.416289 0.317185 0.207304 F\n0.000000 0.500000 0.819548 F\n0.682815 0.416289 0.792697 F\n0.317185 0.583710 0.792697 F\n0.817184 0.916289 0.207304 F\n0.583710 0.682815 0.207304 F\n0.500000 0.000000 0.180452 F\n0.916289 0.182815 0.792697 F\n",
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{
"id": "jvasp-91486",
"created_at": "2022-09-04T14:35:59.953971Z",
"updated_at": "2022-09-04T14:35:59.953999Z",
"structure_string": "Li12 Zr2 Be2 F24\n1.0\n6.251952 -0.000000 -2.080278\n-0.692193 6.213515 -2.080278\n-0.022389 -0.025022 10.367483\nLi Zr Be F\n12 2 2 24\ndirect\n0.853299 0.103299 0.206597 Li\n0.733665 0.000000 0.500000 Li\n0.396701 0.646700 0.293402 Li\n0.266335 0.500000 0.500000 Li\n0.500000 0.766335 -0.000000 Li\n0.733665 0.500000 0.500000 Li\n0.000000 0.766335 -0.000000 Li\n0.000000 0.233665 -0.000000 Li\n0.266335 0.000000 0.500000 Li\n0.500000 0.233665 -0.000000 Li\n0.603299 0.353299 0.706597 Li\n0.146701 0.896700 0.793402 Li\n0.875000 0.625000 0.250000 Zr\n0.125000 0.375000 0.750000 Zr\n0.375000 0.125000 0.250000 Be\n0.625000 0.875000 0.749999 Be\n0.425735 0.981882 0.351471 F\n0.922246 0.385104 0.344492 F\n0.922246 0.959386 0.344492 F\n0.210617 0.231612 0.921236 F\n0.789382 0.310376 0.078764 F\n0.518117 0.074265 0.148529 F\n0.869588 0.925735 0.851470 F\n0.574265 0.630411 0.648529 F\n0.885104 0.422246 0.844492 F\n0.481883 0.925735 0.851470 F\n0.114896 0.577753 0.155507 F\n0.540613 0.577753 0.155507 F\n0.459387 0.422246 0.844492 F\n0.731612 0.710617 0.421235 F\n0.810376 0.289383 0.578764 F\n0.189624 0.710617 0.421236 F\n0.210618 0.689623 0.921235 F\n0.789383 0.768387 0.078764 F\n0.077754 0.614895 0.655507 F\n0.574265 0.018118 0.648529 F\n0.425735 0.369588 0.351471 F\n0.130412 0.074265 0.148529 F\n0.268388 0.289383 0.578764 F\n0.077754 0.040613 0.655507 F\n",
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{
"id": "jvasp-20862",
"created_at": "2022-09-04T14:38:34.119604Z",
"updated_at": "2022-09-04T14:38:34.119620Z",
"structure_string": "Na8 Be4 F16\n1.0\n4.931988 0.000000 0.000000\n-0.000000 6.565522 0.000000\n0.000000 0.000000 10.898307\nNa Be F\n8 4 16\ndirect\n0.514374 0.250000 0.778891 Na\n0.014374 0.750000 0.721110 Na\n0.485626 0.750000 0.221110 Na\n0.985627 0.250000 0.278890 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.925841 0.750000 0.403817 Be\n0.074160 0.250000 0.596183 Be\n0.574160 0.750000 0.903817 Be\n0.425841 0.250000 0.096183 Be\n0.197593 0.250000 0.461426 F\n0.697593 0.750000 0.038574 F\n0.757992 0.250000 0.593158 F\n0.257992 0.750000 0.906843 F\n0.242009 0.750000 0.406843 F\n0.742009 0.250000 0.093158 F\n0.801924 0.943056 0.338234 F\n0.198077 0.056944 0.661766 F\n0.301923 0.056944 0.161766 F\n0.198077 0.443056 0.661766 F\n0.801924 0.556944 0.338234 F\n0.301923 0.443056 0.161766 F\n0.302407 0.250000 0.961426 F\n0.698077 0.943056 0.838235 F\n0.698077 0.556944 0.838235 F\n0.802407 0.750000 0.538574 F\n",
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{
"id": "jvasp-21928",
"created_at": "2022-09-04T14:37:36.621957Z",
"updated_at": "2022-09-04T14:37:36.621972Z",
"structure_string": "Rb3 Na1 Be2 F8\n1.0\n2.877637 -4.984212 -0.000000\n2.877637 4.984212 0.000000\n-0.000000 -0.000000 7.479278\nRb Na Be F\n3 1 2 8\ndirect\n0.333334 0.666668 0.826003 Rb\n0.000000 0.000000 0.500000 Rb\n0.666668 0.333334 0.173997 Rb\n0.000000 0.000000 0.000000 Na\n0.333334 0.666668 0.261726 Be\n0.666668 0.333334 0.738275 Be\n0.370004 0.185002 0.816498 F\n0.629997 0.814999 0.183502 F\n0.814999 0.629997 0.816498 F\n0.814999 0.185002 0.816498 F\n0.333334 0.666668 0.466717 F\n0.666668 0.333334 0.533283 F\n0.185002 0.370004 0.183502 F\n0.185002 0.814999 0.183502 F\n",
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{
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"created_at": "2022-09-04T14:38:30.389087Z",
"updated_at": "2022-09-04T14:38:30.389116Z",
"structure_string": "Rb8 Be4 F16\n1.0\n5.862494 0.000000 0.000000\n0.000000 7.692749 0.000000\n0.000000 0.000000 10.226558\nRb Be F\n8 4 16\ndirect\n0.247528 0.484306 0.810161 Rb\n0.747528 0.515694 0.189839 Rb\n0.747528 0.015694 0.310161 Rb\n0.247528 0.984306 0.689839 Rb\n0.247518 0.161649 0.094552 Rb\n0.747518 0.838351 0.905448 Rb\n0.747518 0.338351 0.594552 Rb\n0.247518 0.661649 0.405448 Rb\n0.247551 0.238945 0.418485 Be\n0.747550 0.261055 0.918486 Be\n0.247551 0.738945 0.081515 Be\n0.747550 0.761055 0.581515 Be\n0.747495 0.693037 0.435903 F\n0.247495 0.306963 0.564097 F\n0.247596 0.535481 0.089388 F\n0.747596 0.464519 0.910613 F\n0.747596 0.964519 0.589388 F\n0.247596 0.035481 0.410613 F\n0.966185 0.187233 0.849166 F\n0.528925 0.187277 0.849117 F\n0.466185 0.812767 0.150834 F\n0.466185 0.312767 0.349166 F\n0.028926 0.312723 0.349117 F\n0.528925 0.687277 0.650883 F\n0.747495 0.193037 0.064097 F\n0.028926 0.812723 0.150883 F\n0.966185 0.687233 0.650834 F\n0.247495 0.806963 0.935903 F\n",
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{
"id": "jvasp-52863",
"created_at": "2022-09-04T14:36:59.815030Z",
"updated_at": "2022-09-04T14:36:59.815042Z",
"structure_string": "Rb1 Be2 F5\n1.0\n4.465517 -0.012669 0.050294\n-2.219766 4.151221 -0.147191\n-0.070789 -0.397011 6.108462\nRb Be F\n1 2 5\ndirect\n0.040334 0.015869 0.989132 Rb\n0.280538 0.684382 0.399830 Be\n0.612056 0.347345 0.578409 Be\n0.398704 0.691186 0.168706 F\n0.896392 0.409281 0.406382 F\n0.287415 0.015860 0.489128 F\n0.503007 0.622434 0.571860 F\n0.723551 0.340641 0.809550 F\n",
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{
"id": "jvasp-22868",
"created_at": "2022-09-04T14:37:35.752198Z",
"updated_at": "2022-09-04T14:37:35.752208Z",
"structure_string": "Rb2 Be6 Zn2 F18\n1.0\n3.366955 -5.831736 -0.000000\n3.366955 5.831736 -0.000000\n0.000000 0.000000 9.762434\nRb Be Zn F\n2 6 2 18\ndirect\n0.666666 0.333332 0.500000 Rb\n0.666666 0.333332 0.000000 Rb\n0.212377 0.277023 0.750000 Be\n0.212376 0.935353 0.250000 Be\n0.722975 0.787622 0.250000 Be\n0.064646 0.277023 0.250000 Be\n0.064645 0.787622 0.750000 Be\n0.722975 0.935353 0.750000 Be\n0.333332 0.666666 0.000000 Zn\n0.333332 0.666666 0.500000 Zn\n0.084757 0.414407 0.118679 F\n0.585591 0.915242 0.881321 F\n0.084757 0.670349 0.881321 F\n0.084757 0.670349 0.618679 F\n0.585591 0.915242 0.618679 F\n0.329650 0.414407 0.881321 F\n0.242115 0.187001 0.250000 F\n0.944887 0.757884 0.250000 F\n0.329650 0.414407 0.618679 F\n0.812997 0.757884 0.750000 F\n0.944887 0.187001 0.750000 F\n0.242115 0.055112 0.750000 F\n0.585591 0.670349 0.118679 F\n0.329649 0.915242 0.381321 F\n0.585591 0.670349 0.381321 F\n0.084757 0.414407 0.381321 F\n0.812998 0.055111 0.250000 F\n0.329649 0.915242 0.118679 F\n",
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{
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"created_at": "2022-09-04T14:37:51.597357Z",
"updated_at": "2022-09-04T14:37:51.597393Z",
"structure_string": "Sm4 Be4 F16\n1.0\n5.272448 0.000000 0.000000\n0.000000 6.774663 0.000000\n0.000000 0.000000 8.246358\nSm Be F\n4 4 16\ndirect\n0.783539 0.899651 0.863221 Sm\n0.283539 0.100348 0.136779 Sm\n0.783539 0.600348 0.363221 Sm\n0.283539 0.399652 0.636779 Sm\n0.283475 0.634230 0.050585 Be\n0.783476 0.365770 0.949415 Be\n0.783476 0.134230 0.449415 Be\n0.283475 0.865769 0.550585 Be\n0.783424 0.942431 0.350685 F\n0.283424 0.057569 0.649315 F\n0.783424 0.557568 0.850685 F\n0.783418 0.410378 0.131882 F\n0.046436 0.730285 0.596665 F\n0.546436 0.269715 0.403335 F\n0.046436 0.769714 0.096665 F\n0.546436 0.230285 0.903335 F\n0.020508 0.269705 0.403365 F\n0.520508 0.730294 0.596636 F\n0.020508 0.230295 0.903365 F\n0.520508 0.769705 0.096636 F\n0.283418 0.910378 0.368118 F\n0.783418 0.089622 0.631882 F\n0.283418 0.589621 0.868118 F\n0.283424 0.442431 0.149315 F\n",
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},
{
"id": "jvasp-22440",
"created_at": "2022-09-04T14:37:49.735078Z",
"updated_at": "2022-09-04T14:37:49.735097Z",
"structure_string": "Sr4 Be4 F16\n1.0\n0.000000 5.383236 0.025358\n8.236757 0.000000 0.000000\n0.000000 -5.218972 -6.854755\nSr Be F\n4 4 16\ndirect\n0.031446 0.308031 0.331052 Sr\n0.968555 0.808031 0.168948 Sr\n0.968555 0.691969 0.668948 Sr\n0.031447 0.191969 0.831053 Sr\n0.431377 0.953590 0.683628 Be\n0.568625 0.453590 0.816373 Be\n0.568625 0.046410 0.316373 Be\n0.431376 0.546411 0.183628 Be\n0.299625 0.542718 0.303760 F\n0.700376 0.042718 0.196240 F\n0.760672 0.317421 0.970913 F\n0.239330 0.817421 0.529088 F\n0.239330 0.682579 0.029087 F\n0.760671 0.182579 0.470913 F\n0.410357 0.123469 0.597951 F\n0.208163 0.411965 0.678512 F\n0.589644 0.876531 0.402050 F\n0.410357 0.376531 0.097950 F\n0.299625 0.957283 0.803760 F\n0.791839 0.911965 0.821489 F\n0.791838 0.588035 0.321489 F\n0.208163 0.088035 0.178511 F\n0.589645 0.623470 0.902050 F\n0.700377 0.457282 0.696241 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Be",
"F"
],
"chemical_system": "Be-F-Sr",
"density": 3.786025583010057,
"density_atomic": 0.07924648462696658,
"volume": 302.85255065854494,
"volume_molar": 7.599252873294951,
"formula_full": "Sr4 Be4 F16",
"formula_reduced": "SrBeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}