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"results": [
{
"id": "jvasp-38599",
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"structure_string": "K2 P4 Au2 S14\n1.0\n3.932615 4.603190 -0.038080\n-3.932614 4.603190 0.038078\n-0.618569 -0.000002 14.994323\nK P Au S\n2 4 2 14\ndirect\n0.245422 0.245422 0.750000 K\n0.754578 0.754578 0.250000 K\n0.647965 0.684449 0.638136 P\n0.684449 0.647966 0.861864 P\n0.352034 0.315551 0.361864 P\n0.315551 0.352035 0.138136 P\n0.000001 0.499999 0.500000 Au\n0.499999 0.000000 0.000000 Au\n0.155979 0.230759 0.029744 S\n0.230759 0.155979 0.470256 S\n0.844021 0.769242 0.970256 S\n0.769242 0.844022 0.529744 S\n0.643567 0.206740 0.115131 S\n0.206740 0.643568 0.384869 S\n0.730500 0.323781 0.845120 S\n0.793260 0.356432 0.615131 S\n0.269500 0.676219 0.154880 S\n0.815211 0.815212 0.750000 S\n0.676220 0.269500 0.345120 S\n0.323781 0.730500 0.654880 S\n0.356432 0.793261 0.884869 S\n0.184788 0.184789 0.250000 S\n",
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{
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"structure_string": "Rb4 Cd4 Cl12\n1.0\n4.062515 0.000000 0.000000\n0.000000 8.926731 0.000000\n0.000000 0.000000 14.963538\nRb Cd Cl\n4 4 12\ndirect\n0.750001 0.075005 0.326284 Rb\n0.250000 0.924995 0.673716 Rb\n0.750001 0.575005 0.173716 Rb\n0.250000 0.424995 0.826284 Rb\n0.750001 0.333140 0.557352 Cd\n0.250000 0.666860 0.442648 Cd\n0.750001 0.833140 0.942648 Cd\n0.250000 0.166860 0.057352 Cd\n0.250000 0.027373 0.898453 Cl\n0.750001 0.972627 0.101547 Cl\n0.250000 0.527373 0.601547 Cl\n0.250000 0.788958 0.289660 Cl\n0.750001 0.711042 0.789660 Cl\n0.750001 0.832340 0.504465 Cl\n0.750001 0.332340 0.995535 Cl\n0.250000 0.667660 0.004465 Cl\n0.750001 0.211042 0.710340 Cl\n0.750001 0.472627 0.398453 Cl\n0.250000 0.288958 0.210340 Cl\n0.250000 0.167660 0.495535 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:31.124843Z",
"structure_string": "H24 C28 S2 N4\n1.0\n5.878051 0.000029 -0.000128\n0.000299 7.321886 0.000115\n0.000304 -0.000051 12.605569\nH C S N\n24 28 2 4\ndirect\n0.864035 0.550487 0.378184 H\n0.141201 0.292945 0.239910 H\n0.141218 0.292936 0.074924 H\n0.277615 0.050508 0.936649 H\n0.187754 0.926542 0.757994 H\n0.594471 0.250360 0.967362 H\n0.588209 0.901358 0.657422 H\n0.853306 0.787540 0.657422 H\n0.277600 0.050501 0.378180 H\n0.187745 0.926532 0.556837 H\n0.502856 0.126680 0.526494 H\n0.594459 0.250366 0.347477 H\n0.502862 0.126679 0.788345 H\n0.000381 0.792947 0.074918 H\n0.000398 0.792961 0.239911 H\n0.953929 0.426517 0.556837 H\n0.638776 0.626701 0.526484 H\n0.553477 0.401386 0.657417 H\n0.288411 0.287546 0.657420 H\n0.547137 0.750377 0.347467 H\n0.953923 0.426530 0.757987 H\n0.864019 0.550492 0.936640 H\n0.638774 0.626695 0.788351 H\n0.547126 0.750360 0.967369 H\n0.773250 0.923871 0.657419 C\n0.838262 0.017944 0.554643 C\n0.058049 0.002237 0.513128 C\n0.109322 0.069949 0.412487 C\n0.673914 0.110877 0.494677 C\n0.838269 0.017949 0.760192 C\n0.673922 0.110879 0.820160 C\n0.109335 0.069956 0.902344 C\n0.940549 0.153648 0.962933 C\n0.722925 0.178760 0.920822 C\n0.904097 0.145606 0.157416 C\n0.722914 0.178761 0.394014 C\n0.058058 0.002244 0.801703 C\n0.940535 0.153648 0.351900 C\n0.467719 0.610888 0.494670 C\n0.083600 0.502237 0.801699 C\n0.201079 0.653650 0.351898 C\n0.032313 0.569942 0.412487 C\n0.083608 0.502228 0.513127 C\n0.237495 0.645599 0.157414 C\n0.418699 0.678769 0.394008 C\n0.303393 0.517949 0.554639 C\n0.303389 0.517954 0.760190 C\n0.467714 0.610886 0.820162 C\n0.418689 0.678760 0.920824 C\n0.201064 0.653645 0.962931 C\n0.032300 0.569946 0.902338 C\n0.368430 0.423884 0.657416 C\n0.439251 0.478716 0.157416 S\n0.702330 0.978747 0.157416 S\n0.995543 0.215343 0.066906 N\n0.146055 0.715342 0.066904 N\n0.146074 0.715357 0.247925 N\n0.995527 0.215350 0.247926 N\n",
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{
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"structure_string": "Na3 Nd3 H6 S6 O27\n1.0\n6.972492 -0.000000 -0.000000\n-3.486246 6.038355 0.000000\n0.000000 0.000000 12.884591\nNa Nd H S O\n3 3 6 6 27\ndirect\n0.529221 0.529222 0.500000 Na\n0.470778 0.000000 0.833333 Na\n-0.000000 0.470779 0.166667 Na\n0.432926 0.000000 0.333333 Nd\n-0.000000 0.432927 0.666667 Nd\n0.567073 0.567074 0.000000 Nd\n0.043571 0.099855 0.372311 H\n0.099855 0.043571 0.627689 H\n0.943716 0.900146 0.294355 H\n0.956429 0.056284 0.961022 H\n0.900145 0.943717 0.705645 H\n0.056284 0.956430 0.038978 H\n0.545269 0.558283 0.244336 S\n0.441717 0.986987 0.577669 S\n0.013013 0.454731 0.911003 S\n0.986986 0.441717 0.422331 S\n0.558283 0.545270 0.755663 S\n0.454730 0.013013 0.088997 S\n0.388507 0.130048 0.511413 O\n0.869952 0.258460 0.844747 O\n0.167550 0.409401 0.970629 O\n0.241850 0.832450 0.637296 O\n0.132925 0.643385 0.838235 O\n0.643384 0.132925 0.161765 O\n0.121104 0.617886 0.346938 O\n0.617885 0.121105 0.653061 O\n0.510459 0.867076 0.504901 O\n0.832449 0.241850 0.362704 O\n0.496780 0.878896 0.013606 O\n0.758150 0.590600 0.696038 O\n0.077781 0.000000 0.333333 O\n0.590599 0.758151 0.303962 O\n0.356616 0.489541 0.171568 O\n0.867075 0.510459 0.495099 O\n0.503219 0.382115 0.319727 O\n0.382115 0.503220 0.680272 O\n0.409400 0.167551 0.029371 O\n0.130048 0.388508 0.488587 O\n0.878895 0.496781 0.986394 O\n0.922219 0.922220 0.000000 O\n0.611492 0.741541 0.821920 O\n-0.000000 0.077781 0.666667 O\n0.489541 0.356616 0.828432 O\n0.741540 0.611493 0.178080 O\n0.258459 0.869953 0.155253 O\n",
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{
"id": "jvasp-19077",
"created_at": "2022-09-04T14:37:09.569612Z",
"updated_at": "2022-09-04T14:37:09.569638Z",
"structure_string": "Mg4 Al8 S16\n1.0\n5.952668 0.000000 0.000000\n-0.000000 7.255276 0.000000\n0.000000 0.000000 12.554974\nMg Al S\n4 8 16\ndirect\n0.002348 0.750000 0.266200 Mg\n0.502348 0.250000 0.233800 Mg\n0.997653 0.250000 0.733800 Mg\n0.497653 0.750000 0.766199 Mg\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.411368 0.250000 0.914172 Al\n0.088633 0.250000 0.414172 Al\n0.588633 0.750000 0.085827 Al\n0.911368 0.750000 0.585827 Al\n0.760646 0.995725 0.158869 S\n0.739355 0.995725 0.658869 S\n0.239355 0.004275 0.841130 S\n0.739355 0.504275 0.658869 S\n0.239355 0.495725 0.841130 S\n0.260645 0.004275 0.341131 S\n0.770176 0.750000 0.925816 S\n0.711977 0.250000 0.415219 S\n0.229825 0.250000 0.074184 S\n0.729825 0.750000 0.425816 S\n0.288023 0.750000 0.584780 S\n0.788023 0.250000 0.915219 S\n0.760646 0.504275 0.158869 S\n0.211977 0.750000 0.084780 S\n0.270176 0.250000 0.574184 S\n0.260645 0.495725 0.341131 S\n",
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{
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"structure_string": "Cu12 Bi4 S12\n1.0\n6.754786 0.000000 0.000000\n0.000000 7.532961 0.000000\n0.000000 0.000000 10.650028\nCu Bi S\n12 4 12\ndirect\n0.627218 0.364859 0.082625 Cu\n0.872783 0.635141 0.582625 Cu\n0.063564 0.311484 0.599313 Cu\n0.029919 0.952997 0.546737 Cu\n0.436436 0.688516 0.099313 Cu\n0.127218 0.135141 0.917375 Cu\n0.372783 0.864859 0.417375 Cu\n0.936436 0.811484 0.900687 Cu\n0.529919 0.547003 0.453263 Cu\n0.563565 0.188516 0.400687 Cu\n0.970082 0.452997 0.953263 Cu\n0.470081 0.047003 0.046737 Cu\n0.127052 0.327882 0.260624 Bi\n0.372949 0.672118 0.760624 Bi\n0.627052 0.172118 0.739377 Bi\n0.872949 0.827882 0.239377 Bi\n0.397314 0.320702 0.567291 S\n0.102686 0.679298 0.067291 S\n0.602687 0.820702 0.932709 S\n0.120829 0.944062 0.750533 S\n0.411069 0.305651 0.924853 S\n0.088931 0.694349 0.424853 S\n0.911069 0.194349 0.075147 S\n0.588931 0.805651 0.575147 S\n0.379171 0.055938 0.250532 S\n0.897314 0.179298 0.432709 S\n0.879171 0.444062 0.749468 S\n0.620830 0.555938 0.249468 S\n",
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{
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"created_at": "2022-09-04T14:35:40.762844Z",
"updated_at": "2022-09-04T14:35:40.762869Z",
"structure_string": "Te2 S8 N8 Cl8\n1.0\n7.035868 0.027496 1.088873\n1.245859 8.719087 0.788060\n0.033325 0.015588 8.842756\nTe S N Cl\n2 8 8 8\ndirect\n0.577211 0.697552 0.949123 Te\n0.077211 0.949123 0.697552 Te\n0.029056 0.496339 0.963394 S\n0.882194 0.242908 0.170299 S\n0.910734 0.707540 0.186669 S\n0.410734 0.186670 0.707540 S\n0.382194 0.170299 0.242907 S\n0.261222 0.411860 0.467774 S\n0.761222 0.467775 0.411860 S\n0.529057 0.963394 0.496338 S\n0.009231 0.329214 0.041195 N\n0.350996 0.040427 0.626311 N\n0.351939 0.344768 0.613683 N\n0.851939 0.613684 0.344768 N\n0.245463 0.299755 0.339829 N\n0.850997 0.626311 0.040426 N\n0.509230 0.041195 0.329214 N\n0.745463 0.339830 0.299754 N\n0.308498 0.697732 0.674393 Cl\n0.172611 0.954244 0.964543 Cl\n0.928411 0.223434 0.697462 Cl\n0.808499 0.674393 0.697731 Cl\n0.049580 0.951293 0.417487 Cl\n0.428412 0.697463 0.223434 Cl\n0.549580 0.417487 0.951293 Cl\n0.672611 0.964544 0.954243 Cl\n",
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{
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"created_at": "2022-09-04T14:37:19.531348Z",
"updated_at": "2022-09-04T14:37:19.531381Z",
"structure_string": "Rb8 Te4\n1.0\n5.552510 -0.000000 0.000000\n-0.000000 8.888148 0.000000\n0.000000 0.000000 10.977699\nRb Te\n8 4\ndirect\n0.750000 0.969080 0.179327 Rb\n0.250000 0.030921 0.820673 Rb\n0.750000 0.469080 0.320673 Rb\n0.250000 0.530921 0.679327 Rb\n0.750000 0.847252 0.570974 Rb\n0.250000 0.152748 0.429026 Rb\n0.750000 0.347252 0.929026 Rb\n0.250000 0.652749 0.070974 Rb\n0.750000 0.753451 0.884839 Te\n0.250000 0.246549 0.115161 Te\n0.750000 0.253451 0.615161 Te\n0.250000 0.746549 0.384839 Te\n",
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{
"id": "jvasp-86754",
"created_at": "2022-09-04T14:36:21.260917Z",
"updated_at": "2022-09-04T14:36:21.260942Z",
"structure_string": "Rb8 Te4\n1.0\n5.553327 0.000000 0.000000\n0.000000 8.888047 0.000000\n0.000000 0.000000 10.975667\nRb Te\n8 4\ndirect\n0.250000 0.030861 0.179403 Rb\n0.750000 0.969139 0.820597 Rb\n0.750000 0.347256 0.071000 Rb\n0.250000 0.152745 0.571000 Rb\n0.250000 0.652745 0.929000 Rb\n0.250000 0.530862 0.320597 Rb\n0.750000 0.847256 0.429000 Rb\n0.750000 0.469139 0.679403 Rb\n0.250000 0.246568 0.884922 Te\n0.750000 0.253432 0.384922 Te\n0.250000 0.746568 0.615079 Te\n0.750000 0.753432 0.115078 Te\n",
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{
"id": "jvasp-86152",
"created_at": "2022-09-04T14:36:20.057075Z",
"updated_at": "2022-09-04T14:36:20.057098Z",
"structure_string": "Rb8 Te4\n1.0\n5.552971 -0.000000 0.000000\n0.000000 8.886730 0.000000\n0.000000 0.000000 10.977196\nRb Te\n8 4\ndirect\n0.250000 0.030921 0.179378 Rb\n0.750000 0.969079 0.820622 Rb\n0.750000 0.347175 0.070999 Rb\n0.250000 0.152825 0.570999 Rb\n0.250000 0.652825 0.929001 Rb\n0.250000 0.530921 0.320622 Rb\n0.750000 0.847175 0.429001 Rb\n0.750000 0.469079 0.679378 Rb\n0.250000 0.246536 0.884899 Te\n0.750000 0.253464 0.384899 Te\n0.250000 0.746536 0.615102 Te\n0.750000 0.753464 0.115101 Te\n",
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{
"id": "jvasp-59148",
"created_at": "2022-09-04T14:38:32.852624Z",
"updated_at": "2022-09-04T14:38:32.852636Z",
"structure_string": "In10 S10 Cl2\n1.0\n0.000000 9.032580 -0.029589\n3.973750 0.000000 0.000000\n0.000000 -1.006989 -15.080378\nIn S Cl\n10 10 2\ndirect\n0.658682 0.250000 0.446122 In\n0.341318 0.750000 0.553878 In\n0.134731 0.250000 0.063446 In\n0.865269 0.750000 0.936554 In\n0.956348 0.750000 0.354224 In\n0.043652 0.250000 0.645776 In\n0.237836 0.750000 0.290606 In\n0.762164 0.250000 0.709394 In\n0.620073 0.750000 0.155437 In\n0.379927 0.250000 0.844563 In\n0.208239 0.750000 0.704342 S\n0.791761 0.250000 0.295658 S\n0.034481 0.250000 0.898324 S\n0.965519 0.750000 0.101676 S\n0.678066 0.750000 0.802197 S\n0.467759 0.750000 0.399401 S\n0.165180 0.250000 0.498126 S\n0.834820 0.750000 0.501875 S\n0.532240 0.250000 0.600599 S\n0.321934 0.250000 0.197803 S\n0.329814 0.750000 0.004017 Cl\n0.670186 0.250000 0.995983 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"In",
"S",
"Cl"
],
"chemical_system": "Cl-In-S",
"density": 4.722541558733324,
"density_atomic": 0.04063526607628462,
"volume": 541.401647492584,
"volume_molar": 14.819986040437463,
"formula_full": "In10 S10 Cl2",
"formula_reduced": "In5S5Cl",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.721332174318182,
"spacegroup": 11
},
{
"id": "jvasp-21535",
"created_at": "2022-09-04T14:36:17.427239Z",
"updated_at": "2022-09-04T14:36:17.427265Z",
"structure_string": "Ca4 Te8 O20\n1.0\n0.000000 9.419572 0.113045\n5.693558 0.000000 0.000000\n0.000000 -4.638447 -10.145689\nCa Te O\n4 8 20\ndirect\n0.018947 0.199024 0.640015 Ca\n0.981053 0.699024 0.859986 Ca\n0.981053 0.800976 0.359986 Ca\n0.018947 0.300976 0.140015 Ca\n0.348218 0.151201 0.989785 Te\n0.651781 0.848799 0.010216 Te\n0.348219 0.348799 0.489785 Te\n0.651781 0.651201 0.510216 Te\n0.732529 0.175778 0.775111 Te\n0.732529 0.324222 0.275111 Te\n0.267471 0.824222 0.224890 Te\n0.267471 0.675778 0.724890 Te\n0.771507 0.897083 0.896675 O\n0.886085 0.348084 0.911765 O\n0.113915 0.848084 0.588235 O\n0.150520 0.001905 0.295450 O\n0.849480 0.501905 0.204551 O\n0.849480 -0.001905 0.704551 O\n0.150520 0.498096 0.795450 O\n0.228493 0.397083 0.603325 O\n0.771507 0.602918 0.396675 O\n0.478580 0.606647 0.593314 O\n0.198958 0.974810 0.847500 O\n0.801041 0.474810 0.652500 O\n0.801042 0.025190 0.152500 O\n0.198958 0.525190 0.347500 O\n0.886085 0.151916 0.411765 O\n0.521420 0.106647 0.906687 O\n0.521420 0.393353 0.406687 O\n0.478580 0.893353 0.093314 O\n0.228493 0.102917 0.103325 O\n0.113915 0.651917 0.088235 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ca",
"Te",
"O"
],
"chemical_system": "Ca-O-Te",
"density": 4.606294091482619,
"density_atomic": 0.059134770843676576,
"volume": 541.1367887869618,
"volume_molar": 10.183755976529605,
"formula_full": "Ca4 Te8 O20",
"formula_reduced": "CaTe2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.7346316816666667,
"spacegroup": 14
}
]
}