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{
"id": "jvasp-58560",
"created_at": "2022-09-04T14:38:19.212009Z",
"updated_at": "2022-09-04T14:38:19.212043Z",
"structure_string": "Mg2 Ti4 O8\n1.0\n5.326791 -0.000000 -2.796634\n-1.468268 5.120440 -2.796634\n-0.245961 -0.326402 6.002843\nMg Ti O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250001 Mg\n0.000000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.758149 0.774342 0.516298 O\n0.758044 0.241851 0.983703 O\n0.225658 0.241851 0.983702 O\n0.241851 0.225658 0.483703 O\n0.241851 0.758045 0.483703 O\n0.241955 0.758149 0.016298 O\n0.758149 0.241956 0.516298 O\n0.774342 0.758149 0.016298 O\n",
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{
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"structure_string": "Zn2 In4 S8\n1.0\n3.914873 -0.000000 -0.000000\n-1.957436 3.390380 -0.000000\n-0.000000 -0.000000 24.756149\nZn In S\n2 4 8\ndirect\n0.000000 0.000000 0.912996 Zn\n0.000000 0.000000 0.412996 Zn\n0.666666 0.333333 0.594368 In\n0.333332 0.666667 0.094368 In\n0.333332 0.666667 0.756440 In\n0.666666 0.333333 0.256440 In\n0.333332 0.666667 0.934373 S\n0.666666 0.333333 0.434373 S\n0.666666 0.333333 0.693940 S\n0.000000 0.000000 0.807581 S\n0.000000 0.000000 0.050802 S\n0.333332 0.666667 0.193940 S\n0.000000 0.000000 0.307581 S\n0.000000 0.000000 0.550802 S\n",
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{
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"updated_at": "2022-09-04T14:38:26.902151Z",
"structure_string": "Sm10 Co4\n1.0\n5.928138 0.000000 -2.327273\n-0.292893 6.898978 -0.746070\n0.013896 0.014061 8.749246\nSm Co\n10 4\ndirect\n0.354942 0.684159 0.570614 Sm\n0.784330 0.815842 0.429388 Sm\n0.645059 0.315842 0.429388 Sm\n0.215672 0.184158 0.570613 Sm\n0.570526 0.750000 0.000000 Sm\n0.429475 0.250000 0.000000 Sm\n0.799714 0.084828 0.810578 Sm\n0.989137 0.415172 0.189423 Sm\n0.200287 0.915172 0.189423 Sm\n0.010865 0.584828 0.810578 Sm\n0.596524 0.426783 0.778657 Co\n0.817867 0.073217 0.221344 Co\n0.403477 0.573217 0.221344 Co\n0.182134 0.926783 0.778657 Co\n",
"nsites": 14,
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"volume": 358.12236732452186,
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"formula_full": "Sm10 Co4",
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{
"id": "jvasp-24915",
"created_at": "2022-09-04T14:38:26.897586Z",
"updated_at": "2022-09-04T14:38:26.897595Z",
"structure_string": "Cu2 As2 Pb2 O8\n1.0\n4.895984 -0.033777 0.044465\n0.540398 5.839303 -0.030531\n2.092024 1.361159 7.613345\nCu As Pb O\n2 2 2 8\ndirect\n0.363868 0.807282 0.995592 Cu\n0.636131 0.192717 0.004409 Cu\n0.580535 0.796308 0.313085 As\n0.419464 0.203691 0.686917 As\n0.071923 0.289655 0.316781 Pb\n0.928076 0.710344 0.683220 Pb\n0.781090 0.030354 0.185981 O\n0.218909 0.969644 0.814020 O\n0.223378 0.378048 0.562391 O\n0.492941 0.371784 0.826900 O\n0.727657 0.091213 0.563326 O\n0.272341 0.908786 0.436675 O\n0.776621 0.621951 0.437610 O\n0.507058 0.628214 0.173101 O\n",
"nsites": 14,
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"volume": 217.49305413706105,
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"formula_full": "Cu2 As2 Pb2 O8",
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{
"id": "jvasp-46513",
"created_at": "2022-09-04T14:38:29.506760Z",
"updated_at": "2022-09-04T14:38:29.506784Z",
"structure_string": "Al2 Ni4 O8\n1.0\n0.000000 4.075621 4.075621\n4.075621 -0.000000 4.075621\n4.075621 4.075621 0.000000\nAl Ni O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Al\n0.875000 0.875000 0.875000 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.739846 0.253384 0.253384 O\n0.253384 0.253384 0.253384 O\n0.746616 0.260154 0.746616 O\n0.746616 0.746616 0.260154 O\n0.253384 0.253384 0.739846 O\n0.253384 0.739846 0.253384 O\n0.260154 0.746616 0.746616 O\n0.746616 0.746616 0.746616 O\n",
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"density_atomic": 0.10339907796586556,
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"spacegroup": 227
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{
"id": "jvasp-43026",
"created_at": "2022-09-04T14:38:13.191987Z",
"updated_at": "2022-09-04T14:38:13.192017Z",
"structure_string": "Mn2 Al4 O8\n1.0\n5.834272 0.000000 0.000000\n2.917136 5.052687 -0.000002\n0.000000 -3.368377 4.763693\nMn Al O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.500000 0.750000 Mn\n0.375000 0.250000 0.375000 Al\n0.375000 0.249999 0.874999 Al\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.141016 0.282039 0.141018 O\n0.173054 0.217961 0.608981 O\n0.141019 0.717961 0.576947 O\n0.141019 0.717962 0.141016 O\n0.608985 0.217961 0.608981 O\n0.576946 0.282039 0.141018 O\n0.608982 0.782039 0.608984 O\n0.608982 0.782040 0.173054 O\n",
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"volume": 140.42767709575418,
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"formula_full": "Mn2 Al4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-9908",
"created_at": "2022-09-04T14:38:29.554751Z",
"updated_at": "2022-09-04T14:38:29.554766Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n5.417683 0.003648 0.002254\n-0.003630 5.417613 -0.004903\n-2.708999 -2.706343 4.710099\nMg Cu O\n2 4 8\ndirect\n0.124965 0.374977 0.249947 Mg\n0.874985 0.624971 0.749954 Mg\n0.499997 0.000004 0.500008 Cu\n0.000006 0.000007 0.500013 Cu\n0.500011 0.000004 0.000010 Cu\n0.500001 0.500008 0.000011 Cu\n0.277486 0.986036 0.154026 O\n0.513958 0.623464 0.345986 O\n0.832018 0.222537 0.346000 O\n0.123463 0.332018 0.845992 O\n0.167994 0.777476 0.654017 O\n0.486043 0.376542 0.654032 O\n0.876535 0.667989 0.154016 O\n0.722534 0.013968 0.845990 O\n",
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{
"id": "jvasp-26957",
"created_at": "2022-09-04T14:38:29.095091Z",
"updated_at": "2022-09-04T14:38:29.095118Z",
"structure_string": "Sc2 Fe8 P4\n1.0\n6.887199 0.000000 0.000000\n-0.000000 6.887199 0.000000\n0.000000 0.000000 3.565954\nSc Fe P\n2 8 4\ndirect\n0.000000 0.000000 0.499999 Sc\n0.500000 0.500000 0.000000 Sc\n0.580078 0.158110 0.499999 Fe\n0.841890 0.419922 0.499999 Fe\n0.080078 0.341890 0.000000 Fe\n0.919922 0.658110 0.000000 Fe\n0.419922 0.841890 0.499999 Fe\n0.158110 0.580078 0.499999 Fe\n0.341890 0.080078 0.000000 Fe\n0.658110 0.919922 0.000000 Fe\n0.720232 0.720232 0.499999 P\n0.220232 0.779768 0.000000 P\n0.279768 0.279768 0.499999 P\n0.779768 0.220232 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:38:29.971120Z",
"updated_at": "2022-09-04T14:38:29.971155Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n0.000000 6.784634 -0.014485\n6.878693 0.000000 0.000000\n0.000000 -2.251303 -7.379244\nCa Sn S\n4 2 8\ndirect\n0.713809 0.250000 0.056433 Ca\n0.286190 0.750000 0.943566 Ca\n0.722656 0.250000 0.552916 Ca\n0.277343 0.750000 0.447083 Ca\n0.241913 0.250000 0.187110 Sn\n0.758086 0.750000 0.812889 Sn\n0.035088 0.250000 0.880853 S\n0.964912 0.750000 0.119145 S\n0.042223 0.250000 0.392026 S\n0.957777 0.750000 0.607973 S\n0.498882 0.507149 0.251571 S\n0.501117 0.007149 0.748428 S\n0.501117 0.492850 0.748428 S\n0.498882 0.992850 0.251571 S\n",
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"volume": 344.609311250901,
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{
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"created_at": "2022-09-04T14:38:13.801855Z",
"updated_at": "2022-09-04T14:38:13.801867Z",
"structure_string": "Tm2 H6 O6\n1.0\n0.000000 6.209424 0.113518\n3.466048 0.000000 0.000000\n0.000000 -3.004748 -5.435139\nTm H O\n2 6 6\ndirect\n0.666635 0.750000 0.333276 Tm\n0.333364 0.250000 0.666724 Tm\n0.725017 0.750000 0.857727 H\n0.142072 0.750000 0.867233 H\n0.132794 0.750000 0.275120 H\n0.274982 0.250000 0.142273 H\n0.857927 0.250000 0.132766 H\n0.867205 0.250000 0.724880 H\n0.604461 0.750000 0.914970 O\n0.084999 0.750000 0.689496 O\n0.310549 0.750000 0.395611 O\n0.395538 0.250000 0.085029 O\n0.915000 0.250000 0.310503 O\n0.689450 0.250000 0.604389 O\n",
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},
{
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"created_at": "2022-09-04T14:38:26.338084Z",
"updated_at": "2022-09-04T14:38:26.338100Z",
"structure_string": "Ca2 Ga2 H10\n1.0\n4.302044 0.000000 0.000000\n-0.000000 6.379686 1.474193\n-0.000000 0.013632 6.688306\nCa Ga H\n2 2 10\ndirect\n0.998861 0.827898 0.673888 Ca\n0.498862 0.172102 0.326112 Ca\n0.242255 0.712316 0.202304 Ga\n0.742255 0.287684 0.797696 Ga\n0.071439 0.660738 0.006550 H\n0.571438 0.339262 -0.006551 H\n0.498131 0.871720 0.582157 H\n0.998131 0.128281 0.417843 H\n0.465053 0.521632 0.298500 H\n0.965053 0.478368 0.701500 H\n0.446479 0.920203 0.129391 H\n0.946479 0.079797 0.870609 H\n0.979577 0.742376 0.359594 H\n0.479578 0.257624 0.640406 H\n",
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"volume": 183.47871755416983,
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},
{
"id": "jvasp-48079",
"created_at": "2022-09-04T14:38:20.052487Z",
"updated_at": "2022-09-04T14:38:20.052508Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n0.000000 5.007816 0.058042\n5.385238 0.000000 0.000000\n0.000000 -4.809225 -6.309934\nLi Co Si O\n2 2 2 8\ndirect\n0.269339 0.335184 0.738310 Li\n0.269340 0.664816 0.238310 Li\n0.018246 0.171036 -0.012766 Co\n0.018245 0.828965 0.487233 Co\n0.763607 0.671311 0.739848 Si\n0.763607 0.328689 0.239848 Si\n0.409316 0.666204 0.712909 O\n0.676139 0.213587 0.018000 O\n0.049798 0.166767 0.457052 O\n0.908915 0.613493 0.268329 O\n0.409316 0.333797 0.212910 O\n0.676139 0.786414 0.517999 O\n0.049797 0.833234 0.957051 O\n0.908915 0.386508 0.768328 O\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Li2 Co2 Si2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 7
}
]
}