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{
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"structure_string": "Co6 P4 O16\n1.0\n4.736850 0.000082 0.000072\n-0.000117 5.896110 -0.109269\n-0.000131 -0.057617 10.227228\nCo P O\n6 4 16\ndirect\n0.499999 0.500001 0.500002 Co\n0.015404 0.761285 0.722889 Co\n0.484593 0.761284 0.222888 Co\n0.000000 0.499998 -0.000003 Co\n0.515405 0.238715 0.777111 Co\n0.984594 0.238717 0.277111 Co\n0.927535 0.746629 0.403010 P\n0.572464 0.746630 0.903010 P\n0.072464 0.253369 0.596990 P\n0.427537 0.253371 0.096989 P\n0.251487 0.733236 0.399148 O\n0.807127 0.944864 0.322805 O\n0.692877 0.944866 0.822808 O\n0.751489 0.266763 0.100852 O\n0.248513 0.733240 0.899148 O\n0.748513 0.266758 0.600852 O\n0.809182 0.745883 0.544580 O\n0.276848 0.467388 0.164918 O\n0.690816 0.745877 0.044580 O\n0.190815 0.254122 0.455420 O\n0.776847 0.532611 0.335082 O\n0.307128 0.055135 0.177195 O\n0.223147 0.467385 0.664921 O\n0.723147 0.532614 0.835079 O\n0.309184 0.254116 0.955420 O\n0.192878 0.055133 0.677192 O\n",
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"structure_string": "Li4 Mn6 F16\n1.0\n10.340685 0.000000 0.000000\n-0.000000 4.625428 2.371969\n-0.000000 0.021429 6.327465\nLi Mn F\n4 6 16\ndirect\n0.138921 0.093581 0.352417 Li\n0.638921 0.406419 0.647584 Li\n0.361079 0.593581 0.352417 Li\n0.861079 0.906419 0.647584 Li\n0.141671 0.865153 0.895768 Mn\n0.000000 0.500000 0.500000 Mn\n0.641671 0.634848 0.104233 Mn\n0.858328 0.134847 0.104233 Mn\n0.500000 0.000000 0.500000 Mn\n0.358329 0.365153 0.895768 Mn\n0.192195 0.421745 0.058764 F\n0.042570 0.751063 0.667840 F\n0.561072 0.630984 0.800297 F\n0.061072 0.869017 0.199704 F\n0.542570 0.748938 0.332161 F\n0.317846 0.761820 0.576654 F\n0.807804 0.578255 0.941237 F\n0.957430 0.248938 0.332161 F\n0.457430 0.251063 0.667840 F\n0.938928 0.130984 0.800297 F\n0.438928 0.369017 0.199704 F\n0.817845 0.738181 0.423346 F\n0.182154 0.261820 0.576654 F\n0.692195 0.078255 0.941237 F\n0.682154 0.238181 0.423346 F\n0.307804 0.921745 0.058764 F\n",
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{
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"created_at": "2022-09-04T14:38:32.881900Z",
"updated_at": "2022-09-04T14:38:32.881915Z",
"structure_string": "Mn2 Nb8 S16\n1.0\n3.335879 -5.777912 0.000000\n3.335879 5.777912 -0.000000\n0.000000 -0.000000 11.768885\nMn Nb S\n2 8 16\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.010924 0.505462 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.505462 0.494538 0.750000 Nb\n0.494538 0.505462 0.250000 Nb\n0.494538 0.989076 0.250000 Nb\n0.505462 0.010924 0.750000 Nb\n0.989076 0.494538 0.750000 Nb\n0.164430 0.835570 0.615153 S\n0.164430 0.328861 0.884848 S\n0.835570 0.671140 0.384848 S\n0.835570 0.164430 0.384848 S\n0.671140 0.835570 0.884848 S\n0.328861 0.164430 0.115153 S\n0.164430 0.328861 0.615153 S\n0.666667 0.333333 0.612685 S\n0.835570 0.164430 0.115153 S\n0.671140 0.835570 0.615153 S\n0.333333 0.666667 0.112685 S\n0.164430 0.835570 0.884848 S\n0.666667 0.333333 0.887316 S\n0.333333 0.666667 0.387315 S\n0.835570 0.671140 0.115153 S\n0.328861 0.164430 0.384848 S\n",
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{
"id": "jvasp-56631",
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"updated_at": "2022-09-04T14:38:33.388039Z",
"structure_string": "K6 Mo4 Br2 O14\n1.0\n2.989044 -5.177177 0.000000\n2.989044 5.177177 -0.000000\n0.000000 0.000000 15.688623\nK Mo Br O\n6 4 2 14\ndirect\n0.666666 0.333332 0.458012 K\n0.333332 0.666666 0.541988 K\n0.333332 0.666666 0.958012 K\n0.666666 0.333332 0.750000 K\n0.666666 0.333332 0.041988 K\n0.333332 0.666666 0.250000 K\n0.000000 0.000000 0.870208 Mo\n0.000000 0.000000 0.629791 Mo\n0.000000 0.000000 0.370208 Mo\n0.000000 0.000000 0.129791 Mo\n0.666666 0.333332 0.250000 Br\n0.333332 0.666666 0.750000 Br\n0.316633 0.158317 0.908914 O\n0.841682 0.683366 0.591086 O\n0.158317 0.316633 0.091086 O\n0.000000 0.000000 0.750000 O\n0.683366 0.841682 0.091086 O\n0.683366 0.841682 0.408914 O\n0.841682 0.158316 0.591086 O\n0.158316 0.841682 0.091086 O\n0.158317 0.316633 0.408914 O\n0.841682 0.683366 0.908914 O\n0.158316 0.841682 0.408914 O\n0.000000 0.000000 0.250000 O\n0.316633 0.158317 0.591086 O\n0.841682 0.158316 0.908914 O\n",
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{
"id": "jvasp-120613",
"created_at": "2022-09-04T14:38:47.857017Z",
"updated_at": "2022-09-04T14:38:47.857047Z",
"structure_string": "Ta4 H8 O14\n1.0\n6.725749 -0.067292 4.301887\n2.953680 6.111962 3.045072\n-0.060461 0.099045 7.346958\nTa H O\n4 8 14\ndirect\n0.276603 0.505531 0.789942 Ta\n0.744469 0.973396 0.822076 Ta\n0.789942 0.427924 0.276603 Ta\n0.822076 0.460058 0.744469 Ta\n0.980601 0.019399 0.980601 H\n0.230601 0.269399 0.230601 H\n0.211480 0.792139 0.005517 H\n0.005517 -0.009137 0.211480 H\n0.259137 0.244482 0.457861 H\n0.457861 0.038520 0.259137 H\n0.611786 0.888214 0.611786 H\n0.361786 0.638214 0.361786 H\n0.776540 0.530917 0.486041 O\n0.384686 0.607330 0.873456 O\n0.873456 0.134528 0.384686 O\n0.829507 0.170493 0.829507 O\n0.448883 0.551117 0.448883 O\n0.486042 0.206501 0.776540 O\n0.043499 0.763958 0.719083 O\n0.642670 0.865314 0.115472 O\n0.698883 0.801117 0.698883 O\n0.079506 0.420494 0.079506 O\n0.719083 0.473460 0.043498 O\n0.320927 0.179073 0.320927 O\n0.115473 0.376543 0.642670 O\n0.070927 0.929073 0.070927 O\n",
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{
"id": "jvasp-112412",
"created_at": "2022-09-04T14:38:40.036922Z",
"updated_at": "2022-09-04T14:38:40.036952Z",
"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.472495 -0.000000 0.000000\n0.000000 6.472495 0.000000\n-0.000000 -0.000000 10.038521\nRb Na Co O\n4 8 4 10\ndirect\n0.302018 0.302018 -0.000000 Rb\n0.197982 0.802017 0.500000 Rb\n0.802017 0.197982 0.500000 Rb\n0.697982 0.697982 -0.000000 Rb\n-0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776162 Na\n0.500000 0.000000 0.250000 Na\n0.500000 0.500000 0.276162 Na\n0.500000 0.500000 0.723837 Na\n0.000000 0.000000 0.223837 Na\n-0.000000 0.500000 0.250000 Na\n0.289769 0.289769 0.500000 Co\n0.210230 0.789769 -0.000000 Co\n0.710230 0.710230 0.500000 Co\n0.789769 0.210230 -0.000000 Co\n0.777146 0.777146 0.330385 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722853 0.277146 0.830385 O\n0.277146 0.722853 0.830385 O\n0.222854 0.222854 0.330385 O\n0.777146 0.777146 0.669615 O\n0.222854 0.222854 0.669615 O\n0.722853 0.277146 0.169615 O\n0.277146 0.722853 0.169615 O\n",
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"structure_string": "Ba6 Ni5 O15\n1.0\n7.189962 -0.000645 0.259260\n0.250056 7.185612 0.259260\n-0.000668 -0.000645 7.194635\nBa Ni O\n6 5 15\ndirect\n0.334554 0.665446 0.000000 Ba\n-0.000000 0.334554 0.665447 Ba\n0.665446 0.000001 0.334554 Ba\n0.148158 0.851842 0.500000 Ba\n0.500000 0.148159 0.851843 Ba\n0.851842 0.500000 0.148158 Ba\n0.500000 0.500000 0.500000 Ni\n0.710525 0.710525 0.710525 Ni\n0.289475 0.289475 0.289475 Ni\n0.905057 0.905058 0.905058 Ni\n0.094942 0.094943 0.094943 Ni\n0.766158 0.628484 0.472486 O\n0.233842 0.527515 0.371517 O\n0.527514 0.371517 0.233842 O\n0.371517 0.233842 0.527515 O\n0.000000 0.854021 0.145979 O\n0.854021 0.145980 0.000000 O\n0.331675 0.036564 0.193376 O\n0.963436 0.668326 0.806625 O\n0.668325 0.806625 0.963437 O\n0.806625 0.963437 0.668325 O\n0.193375 0.331675 0.036564 O\n0.472486 0.766159 0.628484 O\n0.036564 0.193376 0.331676 O\n0.145979 0.000001 0.854021 O\n0.628483 0.472486 0.766159 O\n",
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"structure_string": "Mn2 V2 H8 O4 F10\n1.0\n5.839789 0.002587 -2.857501\n-1.918849 6.272081 3.469942\n0.008851 -0.016844 7.424268\nMn V H O F\n2 2 8 4 10\ndirect\n-0.000000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.477844 0.195446 0.989415 H\n0.792631 0.304040 0.510615 H\n0.522022 0.010609 0.804036 H\n0.207011 0.489413 0.695440 H\n0.522157 0.804555 0.010585 H\n0.207369 0.695961 0.489385 H\n0.477978 0.989392 0.195964 H\n0.792989 0.510588 0.304559 H\n0.267014 0.570332 0.570178 O\n0.626503 0.929809 0.929658 O\n0.373498 0.070192 0.070342 O\n0.732986 0.429669 0.429821 O\n0.079159 0.337633 0.910495 F\n0.930447 0.250030 0.249970 F\n0.069553 0.749971 0.750030 F\n0.079389 0.911131 0.337427 F\n0.331029 0.589499 0.162373 F\n0.920841 0.662368 0.089505 F\n0.669169 0.837426 0.411127 F\n0.920610 0.088870 0.662573 F\n0.668971 0.410502 0.837626 F\n0.330831 0.162575 0.588873 F\n",
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"structure_string": "Tm2 Al20 Fe4\n1.0\n6.730589 -0.002427 0.000000\n-0.830900 6.679104 0.000000\n-0.000000 0.000000 8.949967\nTm Al Fe\n2 20 4\ndirect\n0.872759 0.127241 0.750000 Tm\n0.127241 0.872758 0.250000 Tm\n0.478055 0.217796 0.250000 Al\n0.521945 0.782202 0.750000 Al\n0.782203 0.521945 0.250000 Al\n0.217797 0.478054 0.750000 Al\n0.581817 0.861713 0.250000 Al\n0.418183 0.138286 0.750000 Al\n0.138286 0.418183 0.250000 Al\n0.861714 0.581816 0.750000 Al\n0.845348 0.154651 0.403096 Al\n0.154652 0.845348 0.596905 Al\n0.845348 0.154651 0.096904 Al\n0.227622 0.227622 -0.000000 Al\n0.772378 0.772377 -0.000000 Al\n0.772378 0.772377 0.500000 Al\n0.227622 0.227622 0.500000 Al\n0.626873 0.373127 0.954254 Al\n0.373127 0.626872 0.045747 Al\n0.373127 0.626872 0.454254 Al\n0.626873 0.373127 0.545747 Al\n0.154652 0.845348 0.903096 Al\n0.500000 -0.000000 -0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n",
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"structure_string": "Li2 Mo4 As2 O18\n1.0\n5.490971 0.000000 0.000000\n0.000000 7.635231 0.000000\n0.000000 0.000000 8.898410\nLi Mo As O\n2 4 2 18\ndirect\n0.000000 0.500000 0.389930 Li\n0.500000 0.000000 0.610070 Li\n0.500000 0.209580 0.263287 Mo\n0.500000 0.790420 0.263287 Mo\n0.000000 0.709580 0.736712 Mo\n0.000000 0.290420 0.736712 Mo\n0.000000 0.000000 0.043813 As\n0.500000 0.500000 0.956187 As\n0.000000 0.500000 0.613330 O\n0.759239 0.500000 0.851201 O\n0.500000 0.308610 0.058642 O\n0.500000 0.691390 0.058642 O\n0.744571 0.318979 0.335659 O\n0.500000 0.000000 0.386670 O\n0.259240 0.000000 0.148799 O\n0.240760 0.500000 0.851201 O\n0.000000 0.191390 0.941358 O\n0.744571 0.681020 0.335659 O\n0.755429 0.818979 0.664341 O\n0.255429 0.681020 0.335659 O\n0.244571 0.818979 0.664341 O\n0.755429 0.181021 0.664341 O\n0.255429 0.318979 0.335659 O\n0.000000 0.808610 0.941358 O\n0.244571 0.181021 0.664341 O\n0.740760 0.000000 0.148799 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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],
"chemical_system": "As-Li-Mo-O",
"density": 3.71876300027223,
"density_atomic": 0.0696930714405996,
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"volume_molar": 8.640946130682098,
"formula_full": "Li2 Mo4 As2 O18",
"formula_reduced": "LiMo2AsO9",
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"spacegroup": 59
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{
"id": "jvasp-116775",
"created_at": "2022-09-04T14:38:45.162857Z",
"updated_at": "2022-09-04T14:38:45.162879Z",
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"formula_full": "Sr2 Ca2 Ni2 P4 O16",
"formula_reduced": "SrCaNi(PO4)2",
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}