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{
"id": "jvasp-30750",
"created_at": "2022-09-04T14:38:01.290150Z",
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"structure_string": "Mg4 Ti4 Ge8 O24\n1.0\n5.119917 0.000000 -1.575384\n0.000000 8.484471 0.000000\n-0.206084 0.000000 12.049148\nMg Ti Ge O\n4 4 8 24\ndirect\n0.411672 0.457705 0.257713 Mg\n0.088329 0.957705 0.742287 Mg\n0.588329 0.542295 0.742288 Mg\n0.911672 0.042295 0.257713 Mg\n0.917550 0.656235 0.275185 Ti\n0.582451 0.156235 0.724816 Ti\n0.082451 0.343765 0.724816 Ti\n0.417550 0.843765 0.275184 Ti\n0.714154 0.150381 0.469183 Ge\n0.785848 0.650381 0.530818 Ge\n0.214153 0.349619 0.469183 Ge\n0.285848 0.849619 0.530818 Ge\n0.230542 0.647338 0.925530 Ge\n0.730543 0.852662 0.925530 Ge\n0.769459 0.352662 0.074471 Ge\n0.269459 0.147338 0.074471 Ge\n0.216071 0.003490 0.194892 O\n0.144471 0.851405 0.377882 O\n0.355531 0.351405 0.622119 O\n0.309191 0.164226 0.789687 O\n0.190810 0.664226 0.210313 O\n0.690811 0.835773 0.210313 O\n0.809191 0.335773 0.789688 O\n0.716071 0.496510 0.194893 O\n0.783930 -0.003490 0.805108 O\n0.283930 0.503490 0.805108 O\n0.133662 0.537285 0.411356 O\n0.965941 0.203911 0.403262 O\n0.866339 0.462715 0.588645 O\n0.633662 0.962715 0.411356 O\n0.638837 0.183401 0.153737 O\n0.861165 0.683401 0.846264 O\n0.361165 0.816598 0.846264 O\n0.138836 0.316599 0.153737 O\n0.644471 0.648595 0.377882 O\n0.534061 0.703911 0.596739 O\n0.034060 0.796089 0.596739 O\n0.465941 0.296089 0.403261 O\n0.366339 0.037285 0.588645 O\n0.855531 0.148595 0.622119 O\n",
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{
"id": "jvasp-108940",
"created_at": "2022-09-04T14:38:18.583191Z",
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"structure_string": "Fe1 Cu2 Ge1 S4\n1.0\n4.850638 0.013199 -4.337373\n-0.961861 4.754333 -4.337373\n-0.010766 -0.013199 6.507025\nFe Cu Ge S\n1 2 1 4\ndirect\n0.750000 0.250000 0.500001 Fe\n0.250000 0.749999 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000001 Ge\n0.120667 0.125010 0.499502 S\n0.625508 0.621165 0.500499 S\n0.378835 0.879332 0.004343 S\n0.874990 0.374492 0.995659 S\n",
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"formula_full": "Fe1 Cu2 Ge1 S4",
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"spacegroup": 82
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{
"id": "jvasp-47105",
"created_at": "2022-09-04T14:38:04.360486Z",
"updated_at": "2022-09-04T14:38:04.360497Z",
"structure_string": "Li1 Mn1 P1 O4\n1.0\n0.000000 4.825903 -0.000000\n2.412950 -2.412950 3.761581\n4.825903 -0.000000 0.000000\nLi Mn P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.500000 0.750000 P\n0.451534 0.264231 0.060983 O\n0.674788 0.735769 0.451534 O\n0.812697 0.264231 0.674788 O\n0.060983 0.735769 0.812697 O\n",
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{
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"updated_at": "2022-09-04T14:38:16.750696Z",
"structure_string": "Nb1 Zn1 Pb2 O6\n1.0\n4.999805 -0.004628 3.011607\n1.699473 4.702112 3.011607\n-0.006600 -0.004628 5.836762\nNb Zn Pb O\n1 1 2 6\ndirect\n0.489168 0.489168 0.489169 Nb\n0.988254 0.988254 0.988257 Zn\n0.755794 0.755794 0.755796 Pb\n0.259747 0.259747 0.259748 Pb\n0.723906 0.723906 0.213681 O\n0.233215 0.233215 0.700111 O\n0.723907 0.213679 0.723908 O\n0.233215 0.700110 0.233217 O\n0.213679 0.723906 0.723908 O\n0.700110 0.233215 0.233217 O\n",
"nsites": 10,
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"formula_full": "Nb1 Zn1 Pb2 O6",
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{
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"created_at": "2022-09-04T14:38:04.333633Z",
"updated_at": "2022-09-04T14:38:04.333654Z",
"structure_string": "Ag2 Pb8 Cl2 O8\n1.0\n6.345376 0.000000 -0.000000\n-0.000000 8.285338 0.000002\n0.000000 -0.000002 8.285338\nAg Pb Cl O\n2 8 2 8\ndirect\n0.914311 0.750000 0.750000 Ag\n0.085690 0.250000 0.250000 Ag\n0.234295 0.602955 0.062221 Pb\n0.765706 0.937779 0.102955 Pb\n0.765706 0.562221 0.397045 Pb\n0.765706 0.397045 0.937779 Pb\n0.234295 0.062221 0.897045 Pb\n0.234295 0.437779 0.602955 Pb\n0.234295 0.897045 0.437779 Pb\n0.765706 0.102955 0.562221 Pb\n0.488862 0.250000 0.250000 Cl\n0.511139 0.750000 0.750000 Cl\n0.919714 0.993507 0.340774 O\n0.080286 0.840774 0.006493 O\n0.080286 0.006493 0.659226 O\n0.080286 0.659226 0.493507 O\n0.080286 0.493507 0.840774 O\n0.919714 0.506493 0.159226 O\n0.919714 0.340774 0.506493 O\n0.919714 0.159226 0.993507 O\n",
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{
"id": "jvasp-29423",
"created_at": "2022-09-04T14:38:10.620357Z",
"updated_at": "2022-09-04T14:38:10.620386Z",
"structure_string": "U2 Tl4 Te4 O16\n1.0\n7.012296 0.019719 -2.192897\n-2.595111 7.491403 -0.567705\n0.029388 0.008683 8.924982\nU Tl Te O\n2 4 4 16\ndirect\n0.107825 0.937727 0.714687 U\n0.892175 0.062272 0.285312 U\n0.034004 0.421374 0.683848 Tl\n0.293877 0.417348 0.084994 Tl\n0.706124 0.582652 0.915005 Tl\n0.965997 0.578626 0.316151 Tl\n0.339135 0.908892 0.135525 Te\n0.660866 0.091107 0.864474 Te\n0.406115 0.284954 0.487583 Te\n0.593886 0.715045 0.512416 Te\n0.838886 0.218137 0.067629 O\n0.995101 0.087160 0.804678 O\n0.172744 0.137839 0.549197 O\n0.689506 0.284289 0.751751 O\n0.816090 0.707418 0.692050 O\n0.310494 0.715710 0.248248 O\n0.161115 0.781862 0.932370 O\n0.418831 0.496344 0.614193 O\n0.004900 0.912839 0.195320 O\n0.183911 0.292581 0.307949 O\n0.227304 0.800043 0.622078 O\n0.772696 0.199956 0.377921 O\n0.410316 0.108137 0.886785 O\n0.589685 0.891863 0.113214 O\n0.581170 0.503655 0.385806 O\n0.827257 0.862160 0.450801 O\n",
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{
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"created_at": "2022-09-04T14:38:16.760109Z",
"updated_at": "2022-09-04T14:38:16.760136Z",
"structure_string": "Li4 V4 Fe4 O16\n1.0\n0.000000 5.880536 0.000021\n5.880510 0.000000 0.000000\n0.000000 -0.000041 -8.186840\nLi V Fe O\n4 4 4 16\ndirect\n0.759098 0.999997 0.750000 Li\n0.240903 0.999997 0.250000 Li\n0.000000 0.759094 0.000000 Li\n0.000000 0.240901 0.500000 Li\n0.500000 0.774063 0.000000 V\n0.774067 0.499997 0.749999 V\n0.225934 0.499997 0.250001 V\n0.500000 0.225931 0.500000 V\n0.253864 0.253863 0.874999 Fe\n0.746137 0.253863 0.125001 Fe\n0.253868 0.746131 0.625001 Fe\n0.746133 0.746131 0.374999 Fe\n0.023595 0.268918 0.243516 O\n0.976406 0.268918 0.756485 O\n0.510561 0.266762 0.732437 O\n0.489440 0.266762 0.267563 O\n0.266765 0.489436 0.482436 O\n0.733235 0.489436 0.517564 O\n0.266765 0.510558 0.017564 O\n0.268921 0.976401 0.993515 O\n0.489438 0.733232 0.232437 O\n0.510563 0.733232 0.767563 O\n0.023594 0.731075 0.256485 O\n0.976407 0.731075 0.743515 O\n0.731079 0.023593 0.493513 O\n0.731080 0.976401 0.006485 O\n0.733236 0.510558 0.982436 O\n0.268922 0.023593 0.506487 O\n",
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{
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"structure_string": "Fe2 Ni2 P4 O16\n1.0\n0.000000 4.732915 -0.021332\n5.735550 0.000000 0.000000\n0.000000 0.010993 -9.692121\nFe Ni P O\n2 2 4 16\ndirect\n0.061780 0.750000 0.271287 Fe\n0.938219 0.250000 0.728713 Fe\n0.567523 0.250000 0.224003 Ni\n0.432476 0.750000 0.775996 Ni\n0.615676 0.750000 0.085208 P\n0.107827 0.250000 0.406090 P\n0.892171 0.750000 0.593909 P\n0.384322 0.250000 0.914792 P\n0.232780 0.040760 0.839452 O\n0.232780 0.459240 0.839452 O\n0.738366 0.539587 0.666841 O\n0.738366 0.960413 0.666841 O\n0.212125 0.750000 0.614389 O\n0.162615 0.250000 0.561967 O\n0.837383 0.750000 0.438032 O\n0.767218 0.540761 0.160548 O\n0.261633 0.460413 0.333158 O\n0.261633 0.039587 0.333158 O\n0.702272 0.250000 0.887607 O\n0.767218 0.959240 0.160548 O\n0.297726 0.750000 0.112393 O\n0.322004 0.250000 0.069458 O\n0.787873 0.250000 0.385610 O\n0.677995 0.750000 0.930541 O\n",
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{
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"created_at": "2022-09-04T14:38:16.773926Z",
"updated_at": "2022-09-04T14:38:16.773950Z",
"structure_string": "Li4 V1 Fe3 O8\n1.0\n-5.043156 0.010679 0.012088\n0.011880 -5.531707 0.022585\n0.022670 0.061460 6.402490\nLi V Fe O\n4 1 3 8\ndirect\n0.991442 0.083309 0.618951 Li\n0.501184 0.424751 0.127714 Li\n0.993656 0.573853 0.875127 Li\n0.499547 0.909377 0.376863 Li\n0.501620 0.919278 0.876133 V\n0.989602 0.085544 0.129321 Fe\n0.503622 0.420257 0.622101 Fe\n-0.004722 0.580923 0.374630 Fe\n0.377921 0.071438 0.104217 O\n0.392430 0.079982 0.651016 O\n0.885184 0.415046 0.124047 O\n0.883141 0.416143 0.623688 O\n0.377759 0.576758 0.378152 O\n0.393417 0.612299 0.869567 O\n0.885137 0.913123 0.371598 O\n0.855469 0.917921 0.876885 O\n",
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{
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"structure_string": "Rb2 Na1 Ho1 F6\n1.0\n5.410909 -0.000000 -3.101718\n-1.778010 5.110441 -3.101719\n-0.001483 -0.002086 6.267904\nRb Na Ho F\n2 1 1 6\ndirect\n0.250000 0.749999 0.499999 Rb\n0.750000 0.250000 0.499999 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 Ho\n0.743351 0.743350 0.486701 F\n0.256650 0.256649 0.513298 F\n0.773918 0.713308 -0.000000 F\n0.286692 0.773917 -0.000000 F\n0.226083 0.286692 -0.000000 F\n0.713308 0.226083 -0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:05.143192Z",
"updated_at": "2022-09-04T14:38:05.143216Z",
"structure_string": "Li4 Fe3 Co1 O8\n1.0\n5.070396 -0.005557 0.003128\n-0.031055 5.460676 -0.001055\n-0.013624 -0.028888 6.363736\nLi Fe Co O\n4 3 1 8\ndirect\n0.994292 0.083994 0.625880 Li\n0.498934 0.418462 0.123279 Li\n0.994707 0.582287 0.876617 Li\n0.499045 0.915814 0.374612 Li\n0.004677 0.082431 0.122781 Fe\n0.495901 0.414932 0.629761 Fe\n0.998091 0.583444 0.375806 Fe\n0.502989 0.914787 0.870720 Co\n0.366432 0.069497 0.110125 O\n0.390540 0.091780 0.638735 O\n0.885703 0.412017 0.129643 O\n0.874527 0.423110 0.621010 O\n0.374991 0.573065 0.381582 O\n0.390229 0.592215 0.862739 O\n0.887138 0.915174 0.368865 O\n0.868208 0.926989 0.887849 O\n",
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{
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"created_at": "2022-09-04T14:38:10.600161Z",
"updated_at": "2022-09-04T14:38:10.600184Z",
"structure_string": "Na2 B2 C8 N8\n1.0\n7.213470 0.000000 4.164699\n2.404490 6.800925 4.164699\n-0.000000 -0.000000 8.329398\nNa B C N\n2 2 8 8\ndirect\n0.625000 0.625000 0.625000 Na\n0.375000 0.375000 0.375000 Na\n0.875000 0.874999 0.875001 B\n0.125000 0.125000 0.125000 B\n0.108188 0.797270 0.797271 C\n0.797271 0.797270 0.797271 C\n0.797271 0.108187 0.797271 C\n0.202729 0.202729 0.202729 C\n0.202729 0.891812 0.202729 C\n0.202729 0.202729 0.891813 C\n0.797271 0.797270 0.108188 C\n0.891813 0.202729 0.202729 C\n0.740444 0.278667 0.740444 N\n0.259556 0.721332 0.259557 N\n0.259556 0.259556 0.259556 N\n0.278668 0.740443 0.740444 N\n0.740444 0.740443 0.740444 N\n0.721332 0.259556 0.259556 N\n0.740444 0.740443 0.278668 N\n0.259556 0.259556 0.721333 N\n",
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]
}