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{
"id": "jvasp-46292",
"created_at": "2022-09-04T14:38:11.876647Z",
"updated_at": "2022-09-04T14:38:11.876677Z",
"structure_string": "Li2 Mn2 B2 O6\n1.0\n5.161043 -0.003019 -0.028621\n-2.539287 4.535444 0.015874\n-2.391102 -1.364656 5.267420\nLi Mn B O\n2 2 2 6\ndirect\n0.445351 0.376928 0.680356 Li\n0.554647 0.623070 0.319644 Li\n0.160716 0.747990 0.763994 Mn\n0.839282 0.252008 0.236006 Mn\n0.813763 0.075102 0.739883 B\n0.186235 0.924896 0.260116 B\n0.047997 0.311501 0.686783 O\n0.620447 0.127054 0.821647 O\n0.759997 0.787578 0.702415 O\n0.240001 0.212420 0.297584 O\n0.379551 0.872944 0.178353 O\n0.952001 0.688497 0.313216 O\n",
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{
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"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.470507 0.000000 0.000000\n-1.735254 3.006238 -0.000041\n0.000000 -0.000789 35.729645\nTe Mo W S\n6 2 2 2\ndirect\n0.333313 0.666627 0.717678 Te\n0.666701 0.333399 0.043062 Te\n0.666591 0.333179 0.411320 Te\n0.666656 0.333308 0.147046 Te\n0.666769 0.333534 0.514849 Te\n0.333374 0.666747 0.613738 Te\n0.333279 0.666555 0.463116 Mo\n0.666667 0.333334 0.279053 Mo\n0.333288 0.666575 0.094987 W\n0.666784 0.333567 0.665773 W\n0.333280 0.666559 0.320536 S\n0.333309 0.666619 0.237591 S\n",
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"volume": 372.7734610222307,
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{
"id": "jvasp-117276",
"created_at": "2022-09-04T14:38:46.765230Z",
"updated_at": "2022-09-04T14:38:46.765257Z",
"structure_string": "Li4 Al4 Ni4 O12\n1.0\n5.328401 -0.040994 -1.664262\n2.201105 5.095653 -1.922470\n0.083142 -0.024111 8.757941\nLi Al Ni O\n4 4 4 12\ndirect\n0.941552 0.132511 0.376855 Li\n0.441551 0.632512 0.876860 Li\n0.558447 0.367490 0.123142 Li\n0.058447 0.867490 0.623144 Li\n0.627185 0.786450 0.376085 Al\n0.127186 0.286452 0.876085 Al\n0.872813 0.713550 0.123915 Al\n0.372813 0.213549 0.623915 Al\n0.281497 0.463974 0.370296 Ni\n0.218503 0.036029 0.129705 Ni\n0.781495 0.963971 0.870295 Ni\n0.718502 0.536027 0.629704 Ni\n0.860841 0.021190 0.115897 O\n0.942504 0.789643 0.359341 O\n0.442503 0.289643 0.859342 O\n0.557494 0.710357 0.140658 O\n0.057496 0.210357 0.640658 O\n0.327636 0.095749 0.385180 O\n0.827634 0.595749 0.885180 O\n0.172364 0.404253 0.114819 O\n0.672362 0.904252 0.614819 O\n0.639159 0.478810 0.384102 O\n0.139159 0.978810 0.884102 O\n0.360838 0.521192 0.615898 O\n",
"nsites": 24,
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],
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{
"id": "jvasp-122511",
"created_at": "2022-09-04T14:38:54.396991Z",
"updated_at": "2022-09-04T14:38:54.397018Z",
"structure_string": "Ba4 V4 Cl4 O12\n1.0\n5.304803 -0.000000 0.000000\n0.000000 7.388706 0.000000\n-0.000000 -0.000000 10.541513\nBa V Cl O\n4 4 4 12\ndirect\n0.750000 0.596578 0.304253 Ba\n0.250000 0.403422 0.695747 Ba\n0.250000 0.096578 0.195747 Ba\n0.750000 0.903423 0.804252 Ba\n0.250000 0.951226 0.543246 V\n0.250000 0.548775 0.043246 V\n0.750000 0.048775 0.456754 V\n0.750000 0.451226 0.956753 V\n0.250000 0.075231 0.896080 Cl\n0.750000 0.575232 0.603919 Cl\n0.750000 0.924769 0.103920 Cl\n0.250000 0.424769 0.396080 Cl\n0.250000 0.783741 0.646014 O\n0.991993 0.404149 0.093642 O\n0.491993 0.904149 0.406358 O\n0.508006 0.095852 0.593642 O\n0.008007 0.904149 0.406358 O\n0.750000 0.283741 0.853986 O\n0.250000 0.716259 0.146014 O\n0.491993 0.595852 0.906358 O\n0.508006 0.404149 0.093642 O\n0.991993 0.095852 0.593642 O\n0.750000 0.216259 0.353986 O\n0.008007 0.595852 0.906358 O\n",
"nsites": 24,
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{
"id": "jvasp-24337",
"created_at": "2022-09-04T14:38:10.299391Z",
"updated_at": "2022-09-04T14:38:10.299421Z",
"structure_string": "Na9 Li9 C9 O27\n1.0\n7.203083 -12.476105 0.000000\n7.203083 12.476104 -0.000000\n-0.000000 -0.000000 3.274060\nNa Li C O\n9 9 9 27\ndirect\n0.094324 0.870216 0.500000 Na\n0.426815 0.547445 0.500000 Na\n0.805775 0.549042 0.500000 Na\n0.775891 0.905676 0.500000 Na\n0.129783 0.224108 0.500000 Na\n0.452554 0.879369 0.500000 Na\n0.450957 0.256732 0.500000 Na\n0.743267 0.194224 0.500000 Na\n0.120631 0.573185 0.500000 Na\n0.579535 0.475287 0.000000 Li\n0.179606 0.430922 0.000000 Li\n0.875678 0.772589 0.000000 Li\n0.569077 0.748683 0.000000 Li\n0.524713 0.104248 0.000000 Li\n0.895751 0.420464 0.000000 Li\n0.896911 0.124321 0.000000 Li\n0.251316 0.820394 0.000000 Li\n0.227411 0.103088 0.000000 Li\n0.654759 0.991311 0.000000 C\n0.666667 0.333333 0.000000 C\n0.336551 0.345240 0.000000 C\n0.681828 0.668232 0.500000 C\n0.333333 0.666667 0.000000 C\n0.986403 0.318172 0.500000 C\n0.008689 0.663448 0.000000 C\n0.331768 0.013596 0.500000 C\n0.000000 0.000000 0.000000 C\n0.088453 0.091732 0.000000 O\n0.087954 0.389020 0.500000 O\n0.433376 0.084385 0.500000 O\n0.419562 0.659860 0.000000 O\n0.651008 0.566624 0.500000 O\n0.249580 0.351233 0.000000 O\n0.747502 0.077909 0.000000 O\n0.908267 0.996719 0.000000 O\n0.956619 0.216789 0.500000 O\n0.761845 0.417093 0.000000 O\n0.003280 0.911547 0.000000 O\n0.330407 0.252498 0.000000 O\n0.655248 0.238154 0.000000 O\n0.648767 0.898347 0.000000 O\n0.610980 0.698933 0.500000 O\n0.301066 0.912046 0.500000 O\n0.915615 0.348991 0.500000 O\n0.783211 0.739831 0.500000 O\n0.260169 0.043380 0.500000 O\n0.922091 0.669593 0.000000 O\n0.002864 0.570471 0.000000 O\n0.340139 0.759702 0.000000 O\n0.582906 0.344752 0.000000 O\n0.101652 0.750419 0.000000 O\n0.567608 0.997136 0.000000 O\n0.240298 0.580437 0.000000 O\n0.429528 0.432392 0.000000 O\n",
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"formula_full": "Na9 Li9 C9 O27",
"formula_reduced": "NaLiCO3",
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},
{
"id": "jvasp-86229",
"created_at": "2022-09-04T14:36:17.648647Z",
"updated_at": "2022-09-04T14:36:17.648671Z",
"structure_string": "Tl2 P2 Au2 Se6\n1.0\n6.458711 0.021447 -3.005196\n-3.883328 5.970670 -0.132130\n0.014311 -0.006659 8.347047\nTl P Au Se\n2 2 2 6\ndirect\n0.943249 0.285504 0.228752 Tl\n0.056750 0.714497 0.771248 Tl\n0.621613 0.030925 0.652539 P\n0.378386 0.969075 0.347461 P\n0.760394 0.760394 -0.000000 Au\n0.239606 0.239606 -0.000000 Au\n0.422924 0.764141 0.187065 Se\n0.518538 0.322455 0.327267 Se\n0.577075 0.235860 0.812935 Se\n0.481461 0.677545 0.672733 Se\n0.004812 0.808730 0.327267 Se\n0.995188 0.191271 0.672733 Se\n",
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"volume": 322.75430903154216,
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{
"id": "jvasp-57838",
"created_at": "2022-09-04T14:37:19.440679Z",
"updated_at": "2022-09-04T14:37:19.440705Z",
"structure_string": "Ho4 Se4 O12 F4\n1.0\n0.000000 6.602497 0.030501\n6.866468 0.000000 0.000000\n0.000000 -1.104126 -7.070181\nHo Se O F\n4 4 12 4\ndirect\n0.137752 0.140663 0.823854 Ho\n0.862248 0.859337 0.176146 Ho\n0.862247 0.640664 0.676146 Ho\n0.137753 0.359337 0.323854 Ho\n0.643750 0.383298 0.208626 Se\n0.356250 0.616703 0.791374 Se\n0.356251 0.883298 0.291374 Se\n0.643749 0.116702 0.708626 Se\n0.824868 0.535200 0.352383 O\n0.824868 0.964800 0.852383 O\n0.175132 0.035200 0.147617 O\n0.823049 0.304348 0.716695 O\n0.514535 0.811921 0.136886 O\n0.514534 0.688080 0.636886 O\n0.485465 0.311921 0.363114 O\n0.823049 0.195652 0.216695 O\n0.175132 0.464800 0.647617 O\n0.485465 0.188079 0.863114 O\n0.176951 0.695652 0.283305 O\n0.176951 0.804348 0.783305 O\n0.169203 0.110583 0.523331 F\n0.830797 0.610583 0.976669 F\n0.169203 0.389417 0.023331 F\n0.830797 0.889417 0.476669 F\n",
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{
"id": "jvasp-29048",
"created_at": "2022-09-04T14:37:14.631194Z",
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"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.470626 -0.000000 0.000000\n-1.735312 3.005727 -0.000136\n0.000000 -0.001730 35.686146\nTe Mo W S\n6 2 2 2\ndirect\n0.333331 0.666659 0.340234 Te\n0.333366 0.666732 0.708893 Te\n0.666680 0.333357 0.033634 Te\n0.666601 0.333200 0.137176 Te\n0.333333 0.666667 0.236091 Te\n0.333374 0.666748 0.604811 Te\n0.333291 0.666580 0.085344 Mo\n0.333340 0.666679 0.472500 Mo\n0.666704 0.333406 0.288138 W\n0.666680 0.333358 0.656924 W\n0.666633 0.333264 0.430989 S\n0.666679 0.333354 0.514012 S\n",
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{
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"structure_string": "Na2 Ni2 B2 O6\n1.0\n4.998981 -0.030014 0.017618\n-2.467402 -4.349129 -0.106328\n-1.097927 -0.112435 -5.439037\nNa Ni B O\n2 2 2 6\ndirect\n0.653126 0.320331 0.746012 Na\n0.343804 0.674248 0.250688 Na\n0.998451 0.997291 0.498367 Ni\n0.998439 0.997258 0.998363 Ni\n0.323416 0.657208 0.746887 B\n0.673471 0.337355 0.249811 B\n0.128795 0.344327 0.728365 O\n0.868082 0.650234 0.268355 O\n0.627790 0.782848 0.707035 O\n0.213305 0.842014 0.806428 O\n0.783616 0.152585 0.190271 O\n0.369098 0.211704 0.289660 O\n",
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},
{
"id": "jvasp-112605",
"created_at": "2022-09-04T14:38:42.098120Z",
"updated_at": "2022-09-04T14:38:42.098130Z",
"structure_string": "Ba2 Nd2 Cu2 Te6\n1.0\n7.797322 0.016029 0.000000\n-6.509598 4.292275 0.000000\n-0.000000 -0.000000 11.669624\nBa Nd Cu Te\n2 2 2 6\ndirect\n0.250987 0.749015 0.250000 Ba\n0.749014 0.250987 0.750000 Ba\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.533351 0.466650 0.250000 Cu\n0.466650 0.533351 0.750000 Cu\n0.640943 0.359058 0.065599 Te\n0.359057 0.640944 0.934401 Te\n0.359057 0.640944 0.565598 Te\n0.640943 0.359058 0.434401 Te\n0.928126 0.071874 0.250000 Te\n0.071875 0.928127 0.750000 Te\n",
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],
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{
"id": "jvasp-28750",
"created_at": "2022-09-04T14:38:33.726437Z",
"updated_at": "2022-09-04T14:38:33.726456Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224952 -0.000000 -0.000002\n-1.612476 2.792884 -0.000017\n-0.000020 -0.000237 34.073254\nMo W Se S\n2 2 2 6\ndirect\n0.333314 0.666636 0.096902 Mo\n0.666661 0.333317 0.279088 Mo\n0.333338 0.666676 0.468410 W\n0.666679 0.333364 0.658513 W\n0.666666 0.333333 0.417891 Se\n0.666675 0.333348 0.518930 Se\n0.333338 0.666673 0.324767 S\n0.333347 0.666700 0.704389 S\n0.666655 0.333319 0.051274 S\n0.666643 0.333291 0.142568 S\n0.333325 0.666644 0.233429 S\n0.333339 0.666684 0.612588 S\n",
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}
]
}