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{
"id": "jvasp-9651",
"created_at": "2022-09-04T14:37:27.770675Z",
"updated_at": "2022-09-04T14:37:27.770695Z",
"structure_string": "Mg2 Sn4 O10\n1.0\n3.192731 0.010641 0.029719\n-0.015786 5.154502 -0.172287\n-0.116000 -0.456184 12.552460\nMg Sn O\n2 4 10\ndirect\n0.250614 0.860541 0.734619 Mg\n0.750607 0.140335 0.265594 Mg\n0.750502 0.404680 0.891485 Sn\n0.250562 0.596193 0.108733 Sn\n0.250652 0.618375 0.399425 Sn\n0.750657 0.382509 0.600793 Sn\n0.250613 0.383444 0.252117 O\n0.750599 0.617438 0.748102 O\n0.250532 0.654274 0.942524 O\n0.750528 0.346596 0.057695 O\n0.250661 0.642183 0.568858 O\n0.750628 0.358704 0.431361 O\n0.250650 0.146464 0.628255 O\n-0.249326 0.854422 0.371962 O\n0.750591 0.836085 0.155122 O\n0.250471 0.164786 0.845095 O\n",
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{
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"updated_at": "2022-09-04T14:37:27.837941Z",
"structure_string": "V2 Zn4 Sb2 O12\n1.0\n0.000000 5.251348 -0.010929\n7.720697 0.000000 0.000000\n0.000000 -0.077599 -5.284196\nV Zn Sb O\n2 4 2 12\ndirect\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.489434 0.750000 0.450070 Zn\n0.510566 0.250000 0.549931 Zn\n0.975391 0.750000 0.982794 Zn\n0.024609 0.250000 0.017207 Zn\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.327298 0.566321 0.676640 O\n0.607378 0.750000 0.075599 O\n0.672702 0.066320 0.323361 O\n0.129491 0.250000 0.418756 O\n0.170828 0.932350 0.178370 O\n0.829172 0.067651 0.821631 O\n0.170828 0.567651 0.178370 O\n0.327298 0.933680 0.676640 O\n0.870509 0.750000 0.581245 O\n0.672702 0.433680 0.323361 O\n0.829172 0.432350 0.821631 O\n0.392622 0.250000 0.924402 O\n",
"nsites": 20,
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"formula_full": "V2 Zn4 Sb2 O12",
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{
"id": "jvasp-12459",
"created_at": "2022-09-04T14:37:27.981581Z",
"updated_at": "2022-09-04T14:37:27.981605Z",
"structure_string": "Pr4 I10\n1.0\n0.000000 8.689954 -0.339500\n4.346658 0.000000 0.000000\n0.000000 -0.593655 -14.557847\nPr I\n4 10\ndirect\n0.090692 0.750000 0.154537 Pr\n0.909307 0.250000 0.845463 Pr\n0.580097 0.750000 0.657442 Pr\n0.419902 0.250000 0.342559 Pr\n0.660338 0.750000 0.275891 I\n0.339661 0.250000 0.724109 I\n0.151090 0.750000 0.928099 I\n0.848909 0.250000 0.071902 I\n0.695575 0.250000 0.508193 I\n0.304424 0.750000 0.491807 I\n0.050196 0.250000 0.318092 I\n0.949803 0.750000 0.681909 I\n0.361731 0.250000 0.120609 I\n0.638268 0.750000 0.879391 I\n",
"nsites": 14,
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"volume": 550.7588048609742,
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"formula_full": "Pr4 I10",
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{
"id": "jvasp-9100",
"created_at": "2022-09-04T14:37:28.166065Z",
"updated_at": "2022-09-04T14:37:28.166089Z",
"structure_string": "Ba2 N12\n1.0\n0.000000 5.490626 0.020113\n4.361468 0.000000 0.000000\n0.000000 -1.569629 -9.562635\nBa N\n2 12\ndirect\n0.169981 0.750000 0.216921 Ba\n0.830020 0.250000 0.783079 Ba\n0.707046 0.750000 0.332497 N\n0.292954 0.250000 0.667503 N\n0.859590 0.250000 0.095642 N\n0.140411 0.750000 0.904358 N\n0.647275 0.250000 0.106796 N\n0.352726 0.750000 0.893204 N\n0.436276 0.250000 0.115413 N\n0.563724 0.750000 0.884586 N\n0.224629 0.250000 0.419454 N\n0.775371 0.750000 0.580545 N\n0.258606 0.250000 0.543591 N\n0.741394 0.750000 0.456408 N\n",
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"volume": 228.8605420924279,
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"formula_full": "Ba2 N12",
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{
"id": "jvasp-49603",
"created_at": "2022-09-04T14:37:28.173052Z",
"updated_at": "2022-09-04T14:37:28.173080Z",
"structure_string": "Mg4 Sb4 O12\n1.0\n0.000000 5.531004 0.003146\n7.923919 0.000000 0.000000\n0.000000 -0.178371 -5.545478\nMg Sb O\n4 4 12\ndirect\n0.511293 0.250000 0.532725 Mg\n0.488706 0.750000 0.467274 Mg\n0.977841 0.250000 0.025066 Mg\n0.022158 0.750000 0.974933 Mg\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.311289 0.429133 0.353714 O\n0.639811 0.250000 0.880781 O\n0.688711 0.929134 0.646286 O\n0.139010 0.750000 0.600657 O\n0.136401 0.069135 0.819576 O\n0.863599 0.930865 0.180424 O\n0.136401 0.430865 0.819576 O\n0.311289 0.070867 0.353714 O\n0.860990 0.250000 0.399342 O\n0.688711 0.570867 0.646286 O\n0.863599 0.569135 0.180424 O\n0.360189 0.750000 0.119219 O\n",
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"density_atomic": 0.08229149544084863,
"volume": 243.03848037827993,
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"spacegroup": 11
},
{
"id": "jvasp-9204",
"created_at": "2022-09-04T14:37:28.286596Z",
"updated_at": "2022-09-04T14:37:28.286619Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.302474 0.107329 0.198661\n-0.186024 7.878588 -1.140086\n-0.421452 -1.661486 7.838051\nCa Mn O\n4 4 8\ndirect\n0.237068 0.785288 0.938214 Ca\n0.736997 0.185296 0.080594 Ca\n0.737103 0.919932 0.322493 Ca\n0.236967 0.050654 0.696317 Ca\n0.736863 0.421302 0.820356 Mn\n0.737014 0.667381 0.566615 Mn\n0.236840 0.303206 0.452192 Mn\n0.237017 0.549283 0.198448 Mn\n0.737163 0.434478 0.331910 O\n0.736848 0.185402 0.573957 O\n0.237238 0.785187 0.444854 O\n0.236994 0.536109 0.686897 O\n0.236902 0.312280 0.949096 O\n0.737029 0.916867 0.815722 O\n0.737176 0.658304 0.069713 O\n0.237055 0.053723 0.203088 O\n",
"nsites": 16,
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"density_atomic": 0.08055974025839395,
"volume": 198.6103722365574,
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"formula_full": "Ca4 Mn4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 11
},
{
"id": "jvasp-42296",
"created_at": "2022-09-04T14:37:28.380330Z",
"updated_at": "2022-09-04T14:37:28.380350Z",
"structure_string": "K2 Li4 Mn4 O8\n1.0\n0.000000 3.247522 0.020238\n12.493117 0.000000 0.000000\n0.000000 -0.323598 -5.398177\nK Li Mn O\n2 4 4 8\ndirect\n0.944574 0.250000 0.349146 K\n0.055425 0.750000 0.650854 K\n0.532286 0.643617 0.142460 Li\n0.532286 0.856384 0.142460 Li\n0.467713 0.356384 0.857540 Li\n0.467713 0.143617 0.857540 Li\n0.499999 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.957837 0.099837 0.718611 O\n0.042162 0.599837 0.281389 O\n0.042162 0.900163 0.281389 O\n0.577971 0.588917 0.828997 O\n0.577971 0.911083 0.828997 O\n0.422028 0.411083 0.171003 O\n0.422028 0.088917 0.171003 O\n0.957837 0.400163 0.718611 O\n",
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],
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"density_atomic": 0.08221759070061253,
"volume": 218.93125116673966,
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"formula_full": "K2 Li4 Mn4 O8",
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{
"id": "jvasp-49596",
"created_at": "2022-09-04T14:37:28.392958Z",
"updated_at": "2022-09-04T14:37:28.392976Z",
"structure_string": "Mg4 Cr2 Sb2 O12\n1.0\n0.000000 5.132471 0.002029\n7.601631 0.000000 0.000000\n0.000000 -0.049838 -5.330544\nMg Cr Sb O\n4 2 2 12\ndirect\n0.481110 0.750000 0.427265 Mg\n0.518890 0.250000 0.572734 Mg\n0.998742 0.750000 0.959806 Mg\n0.001258 0.250000 0.040193 Mg\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.320544 0.570685 0.682522 O\n0.626076 0.750000 0.069644 O\n0.679456 0.070685 0.317477 O\n0.139430 0.250000 0.427656 O\n0.178994 0.929230 0.187114 O\n0.821005 0.070770 0.812885 O\n0.178994 0.570770 0.187114 O\n0.320544 0.929315 0.682522 O\n0.860569 0.750000 0.572343 O\n0.679456 0.429315 0.317477 O\n0.821005 0.429230 0.812885 O\n0.373924 0.250000 0.930355 O\n",
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],
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"volume": 207.97120857400643,
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"formula_full": "Mg4 Cr2 Sb2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 11
},
{
"id": "jvasp-57435",
"created_at": "2022-09-04T14:37:28.363869Z",
"updated_at": "2022-09-04T14:37:28.363888Z",
"structure_string": "Ca2 Al4 O8\n1.0\n0.000000 5.608828 0.013589\n3.783215 0.000000 0.000000\n0.000000 -1.388366 -6.965495\nCa Al O\n2 4 8\ndirect\n0.731344 0.749999 0.428753 Ca\n0.268655 0.250000 0.571247 Ca\n0.846106 0.749999 0.870121 Al\n0.153893 0.250000 0.129878 Al\n0.344017 0.749999 0.887043 Al\n0.655982 0.250000 0.112956 Al\n0.943170 0.250000 0.307623 O\n0.857882 0.250000 0.928298 O\n0.458069 0.250000 0.304088 O\n0.643289 0.749999 0.074610 O\n0.541930 0.749999 0.695911 O\n0.142117 0.749999 0.071702 O\n0.356711 0.250000 0.925389 O\n0.056830 0.749999 0.692376 O\n",
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"spacegroup": 11
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{
"id": "jvasp-51019",
"created_at": "2022-09-04T14:37:28.808516Z",
"updated_at": "2022-09-04T14:37:28.808539Z",
"structure_string": "Ba2 H8 O6\n1.0\n0.000000 6.280276 0.196795\n4.181743 0.000000 0.000000\n0.000000 -2.633479 -6.637349\nBa H O\n2 8 6\ndirect\n0.863064 0.250000 0.712909 Ba\n0.136936 0.749999 0.287090 Ba\n0.617932 0.749999 0.890011 H\n0.382069 0.250000 0.109988 H\n0.247777 0.749999 0.867640 H\n0.752223 0.250000 0.132359 H\n0.673959 0.557039 0.325134 H\n0.673959 0.942960 0.325134 H\n0.326041 0.442961 0.674866 H\n0.326041 0.057039 0.674866 H\n0.617948 0.749999 0.380900 O\n0.382052 0.250000 0.619100 O\n0.783764 0.749999 0.919963 O\n0.216236 0.250000 0.080037 O\n0.197438 0.749999 0.718950 O\n0.802562 0.250000 0.281049 O\n",
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"volume": 172.14616813853743,
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"formula_full": "Ba2 H8 O6",
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"spacegroup": 11
},
{
"id": "jvasp-47709",
"created_at": "2022-09-04T14:37:29.066799Z",
"updated_at": "2022-09-04T14:37:29.066820Z",
"structure_string": "Ba2 C2 O6\n1.0\n0.000000 4.559451 0.173703\n5.357659 0.000000 0.000000\n0.000000 -2.323045 -6.531408\nBa C O\n2 2 6\ndirect\n0.343714 0.231197 0.231417 Ba\n0.656286 0.731197 0.768583 Ba\n0.753800 0.731201 0.245674 C\n0.246200 0.231200 0.754327 C\n0.827408 0.940992 0.181586 O\n0.827407 0.521436 0.181546 O\n0.588175 0.731177 0.363416 O\n0.411825 0.231176 0.636584 O\n0.172591 0.440992 0.818415 O\n0.172592 0.021436 0.818455 O\n",
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"spacegroup": 11
},
{
"id": "jvasp-44487",
"created_at": "2022-09-04T14:37:29.117321Z",
"updated_at": "2022-09-04T14:37:29.117349Z",
"structure_string": "Li4 V2 As2 C2 O14\n1.0\n0.000000 5.011166 0.017022\n6.526315 0.000000 0.000000\n0.000000 -0.488936 -8.603267\nLi V As C O\n4 2 2 2 14\ndirect\n0.780411 0.489647 0.207378 Li\n0.780411 0.010352 0.207378 Li\n0.219589 0.510352 0.792623 Li\n0.219589 0.989647 0.792623 Li\n0.204544 0.250000 0.332315 V\n0.795456 0.749999 0.667685 V\n0.286857 0.749999 0.415914 As\n0.713143 0.250000 0.584087 As\n0.275042 0.250000 0.048701 C\n0.724959 0.749999 0.951300 C\n0.526676 0.749999 0.842629 O\n0.827205 0.044863 0.693363 O\n0.827205 0.455136 0.693363 O\n0.165386 0.749999 0.600109 O\n0.369363 0.250000 0.554005 O\n0.630637 0.749999 0.445995 O\n0.037263 0.250000 0.104423 O\n0.172795 0.544863 0.306638 O\n0.172795 0.955136 0.306638 O\n0.473325 0.250000 0.157372 O\n0.962737 0.749999 0.895578 O\n0.687721 0.749999 0.095097 O\n0.834614 0.250000 0.399892 O\n0.312280 0.250000 0.904904 O\n",
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],
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"formula_full": "Li4 V2 As2 C2 O14",
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}
]
}