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{
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{
"id": "jvasp-9656",
"created_at": "2022-09-04T14:37:28.562072Z",
"updated_at": "2022-09-04T14:37:28.562100Z",
"structure_string": "Y2 Mn4 O8\n1.0\n5.099350 0.106432 -2.526531\n-1.371907 4.893432 -2.562956\n-0.041642 -0.007993 6.327255\nY Mn O\n2 4 8\ndirect\n0.875000 0.125000 0.750001 Y\n0.125000 0.875000 0.250000 Y\n0.500000 -0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.720509 0.523094 0.851007 O\n0.130497 0.827913 0.851007 O\n0.279490 0.476906 0.148993 O\n0.869503 0.172087 0.148993 O\n0.523093 0.130498 0.351014 O\n0.827921 0.720516 0.351014 O\n0.172079 0.279484 0.648986 O\n0.476907 0.869502 0.648986 O\n",
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{
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"structure_string": "Li4 Nb3 Co3 Sn2 O16\n1.0\n5.858245 -0.060429 0.030493\n2.838717 5.124877 0.030493\n-0.029987 -0.017462 10.043654\nLi Nb Co Sn O\n4 3 3 2 16\ndirect\n0.337037 0.337038 0.093874 Li\n0.987732 0.987733 0.006308 Li\n0.978635 0.978636 0.512573 Li\n0.668940 0.668941 0.614684 Li\n0.178977 0.178978 0.785637 Nb\n0.839991 0.354283 0.286943 Nb\n0.354283 0.839992 0.286943 Nb\n0.166997 0.655162 0.785195 Co\n0.810074 0.810075 0.283713 Co\n0.655160 0.166997 0.785195 Co\n0.351500 0.351501 0.514940 Sn\n0.667385 0.667386 0.997201 Sn\n0.839677 0.839679 0.888791 O\n0.839226 0.313189 0.896091 O\n0.659413 0.659414 0.419642 O\n0.507772 0.973891 0.146014 O\n0.973890 0.507773 0.146014 O\n0.172669 0.172670 0.406448 O\n0.032659 0.487430 0.658176 O\n0.484834 0.484835 0.676629 O\n0.166957 0.680617 0.400228 O\n-0.000899 -0.000899 0.190690 O\n-0.004793 -0.004793 0.693634 O\n0.338713 0.338714 0.901364 O\n0.515288 0.515288 0.160750 O\n0.680616 0.166958 0.400228 O\n0.487428 0.032660 0.658176 O\n0.313188 0.839228 0.896091 O\n",
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"formula_full": "Li4 Nb3 Co3 Sn2 O16",
"formula_reduced": "Li4Nb3Co3(SnO8)2",
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{
"id": "jvasp-85497",
"created_at": "2022-09-04T14:36:10.408636Z",
"updated_at": "2022-09-04T14:36:10.408657Z",
"structure_string": "U1 H2 O4\n1.0\n2.950206 2.957443 -0.002935\n0.633480 2.323612 5.596049\n3.540671 -0.575356 6.277473\nU H O\n1 2 4\ndirect\n0.989044 0.046634 0.953037 U\n0.419978 0.578295 0.948450 H\n0.947073 0.514969 0.957629 H\n0.170394 0.699350 0.933560 O\n0.803648 0.393913 0.972512 O\n0.484790 0.046638 0.953031 O\n0.989620 0.546634 0.453037 O\n",
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"volume": 99.39433810231328,
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"formula_full": "U1 H2 O4",
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"spacegroup": 5
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{
"id": "jvasp-29796",
"created_at": "2022-09-04T14:37:18.860266Z",
"updated_at": "2022-09-04T14:37:18.860294Z",
"structure_string": "U1 H2 O4\n1.0\n2.901045 2.902253 0.692963\n0.570975 3.539057 6.286306\n3.524419 0.584718 6.293210\nU H O\n1 2 4\ndirect\n0.024454 0.966741 0.028401 U\n0.492998 0.924797 0.597447 H\n0.555930 0.397697 0.070343 H\n0.372530 0.781372 0.847081 O\n0.676394 0.148047 0.213781 O\n0.524455 0.967320 0.027820 O\n0.024449 0.462497 0.532643 O\n",
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{
"id": "jvasp-9971",
"created_at": "2022-09-04T14:37:27.339198Z",
"updated_at": "2022-09-04T14:37:27.339230Z",
"structure_string": "Mg2 Mo4 O8\n1.0\n5.980715 0.038039 0.004993\n2.957132 5.198538 0.016414\n2.975420 1.732194 4.992524\nMg Mo O\n2 4 8\ndirect\n0.859545 0.359560 0.921330 Mg\n0.104774 0.604772 0.185654 Mg\n0.477098 0.977104 0.516430 Mo\n0.530060 0.030045 0.909835 Mo\n0.029376 0.977101 0.516429 Mo\n0.477099 0.529369 0.516437 Mo\n0.234051 0.734073 0.797785 O\n0.719385 0.776537 0.227566 O\n0.276546 0.219384 0.227569 O\n0.771139 0.271146 0.716652 O\n0.771128 0.741066 0.716650 O\n0.241058 0.271113 0.716697 O\n0.276521 0.776495 0.227595 O\n0.732230 0.232237 0.303357 O\n",
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{
"id": "jvasp-57141",
"created_at": "2022-09-04T14:38:34.086751Z",
"updated_at": "2022-09-04T14:38:34.086780Z",
"structure_string": "Nb2 Co2 O8\n1.0\n3.828254 -0.000010 -0.000062\n-1.914113 5.831387 -1.879021\n-0.000105 0.002904 6.528818\nNb Co O\n2 2 8\ndirect\n0.104445 0.208868 0.237895 Nb\n0.895553 0.791131 0.762105 Nb\n0.796512 0.593020 0.172538 Co\n0.203486 0.406980 0.827463 Co\n0.941936 0.883856 0.135350 O\n0.058063 0.116144 0.864650 O\n0.737450 0.474906 0.863880 O\n0.142782 0.285541 0.530376 O\n0.643636 0.287262 0.199534 O\n0.857216 0.714459 0.469625 O\n0.262549 0.525094 0.136121 O\n0.356362 0.712738 0.800467 O\n",
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{
"id": "jvasp-117235",
"created_at": "2022-09-04T14:38:49.523465Z",
"updated_at": "2022-09-04T14:38:49.523488Z",
"structure_string": "Ni4 Ge4 N8\n1.0\n5.382604 -0.000000 0.000000\n0.000000 6.436040 0.000000\n0.000000 -0.000000 5.164328\nNi Ge N\n4 4 8\ndirect\n0.576096 0.876945 0.997025 Ni\n0.423903 0.123055 0.497024 Ni\n0.923903 0.376945 0.497024 Ni\n0.076096 0.623055 0.997025 Ni\n0.578220 0.375663 0.998443 Ge\n0.421779 0.624337 0.498443 Ge\n0.921778 0.875663 0.498443 Ge\n0.078221 0.124337 0.998443 Ge\n0.573098 0.385416 0.363589 N\n0.426901 0.614584 0.863590 N\n0.926901 0.885416 0.863590 N\n0.073099 0.114584 0.363589 N\n0.591991 0.862820 0.381945 N\n0.408008 0.137180 0.881946 N\n0.908007 0.362820 0.881946 N\n0.091992 0.637180 0.381945 N\n",
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{
"id": "jvasp-44722",
"created_at": "2022-09-04T14:38:10.277432Z",
"updated_at": "2022-09-04T14:38:10.277455Z",
"structure_string": "Li3 Cr3 Si1 O8\n1.0\n0.000000 4.945246 0.010992\n5.765481 0.000000 0.000000\n0.000000 -1.583690 -4.804501\nLi Cr Si O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.764035 0.000000 Li\n0.500000 0.235965 0.000000 Li\n-0.000000 0.751861 0.500000 Cr\n-0.000000 0.248139 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Si\n0.732825 0.000000 0.294713 O\n0.719215 0.765686 0.711396 O\n0.765704 0.500000 0.270768 O\n0.280786 0.765686 0.288604 O\n0.719215 0.234314 0.711396 O\n0.267176 0.000000 0.705287 O\n0.234297 0.500000 0.729233 O\n0.280786 0.234314 0.288604 O\n",
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{
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"structure_string": "Te2 Mo4 Se6\n1.0\n3.385287 0.000000 0.000000\n-1.692643 2.931755 -0.000099\n0.000000 -0.001233 36.107360\nTe Mo Se\n2 4 6\ndirect\n0.666695 0.333386 0.416664 Te\n0.666702 0.333402 0.520992 Te\n0.333234 0.666466 0.096464 Mo\n0.333364 0.666726 0.468828 Mo\n0.666600 0.333199 0.277264 Mo\n0.666810 0.333618 0.660361 Mo\n0.333286 0.666570 0.323099 Se\n0.333500 0.666999 0.706113 Se\n0.666545 0.333086 0.050706 Se\n0.666593 0.333181 0.142281 Se\n0.333248 0.666494 0.231459 Se\n0.333444 0.666886 0.614519 Se\n",
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{
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"structure_string": "Mn1 Be2 Ru1\n1.0\n-1.942484 1.942484 2.747167\n1.942484 -1.942484 2.747167\n1.942484 1.942484 -2.747167\nMn Be Ru\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Ru\n",
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"structure_string": "Ti1 P3\n1.0\n3.360391 -0.000000 -1.076039\n-0.001487 3.653016 -0.004644\n-0.243386 0.006224 5.025067\nTi P\n1 3\ndirect\n0.328329 -0.000026 0.656662 Ti\n0.621675 0.000034 0.243349 P\n0.140529 0.499981 0.281058 P\n0.909463 0.500011 0.818932 P\n",
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}
]
}