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{
"id": "jvasp-54951",
"created_at": "2022-09-04T14:38:08.234513Z",
"updated_at": "2022-09-04T14:38:08.234542Z",
"structure_string": "Fe8 Ni4 P4\n1.0\n4.133371 0.000000 1.440290\n2.066686 6.367871 0.720144\n-0.028658 -0.000000 6.733406\nFe Ni P\n8 4 4\ndirect\n0.876977 0.816281 0.972540 Fe\n0.345642 0.667832 0.609179 Fe\n0.306742 0.027460 0.816281 Fe\n0.150484 0.972540 0.183719 Fe\n0.622651 0.332168 0.390821 Fe\n0.665798 0.183719 0.027460 Fe\n0.986526 0.390821 0.667832 Fe\n0.045181 0.609179 0.332168 Fe\n0.923690 0.044215 0.606830 Ni\n0.032095 0.393170 0.044214 Ni\n0.469479 0.606830 0.955785 Ni\n0.574736 0.955785 0.393170 Ni\n0.195725 0.248500 0.334336 P\n0.469939 0.334336 0.751501 P\n0.778560 0.751500 0.665664 P\n0.555777 0.665664 0.248499 P\n",
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{
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"structure_string": "Ho2 Ni2 Ge4\n1.0\n2.024710 8.360345 0.000000\n-2.024710 8.360345 0.000000\n0.000000 0.000000 4.198606\nHo Ni Ge\n2 2 4\ndirect\n0.891905 0.891905 0.750001 Ho\n0.108094 0.108094 0.250000 Ho\n0.677231 0.677231 0.750001 Ni\n0.322769 0.322769 0.250000 Ni\n0.747532 0.747532 0.250000 Ge\n0.540470 0.540470 0.750001 Ge\n0.459530 0.459530 0.250000 Ge\n0.252468 0.252468 0.750001 Ge\n",
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{
"id": "jvasp-36856",
"created_at": "2022-09-04T14:38:08.238902Z",
"updated_at": "2022-09-04T14:38:08.238921Z",
"structure_string": "V1 Cu1 O2\n1.0\n1.472526 2.462302 0.755876\n1.493354 -2.440798 -0.780981\n-1.546917 2.563688 -5.337783\nV Cu O\n1 1 2\ndirect\n0.500001 0.000000 -0.000000 V\n-0.000000 -0.000001 0.500000 Cu\n0.105645 0.211289 0.817040 O\n0.894354 0.788708 0.182959 O\n",
"nsites": 4,
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"elements": [
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"Cu",
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},
{
"id": "jvasp-36807",
"created_at": "2022-09-04T14:38:08.239103Z",
"updated_at": "2022-09-04T14:38:08.239124Z",
"structure_string": "Cu2 Br2 O4\n1.0\n-3.655872 0.110594 -0.003382\n0.194481 6.492100 -0.008295\n-0.067041 -2.206923 -6.105297\nCu Br O\n2 2 4\ndirect\n0.479682 0.102107 0.311849 Cu\n0.979315 0.740796 0.672723 Cu\n0.479154 0.591802 0.821881 Br\n-0.020160 0.251212 0.162843 Br\n0.179828 0.101644 0.554910 O\n0.779312 0.859048 0.312024 O\n0.278637 0.983869 0.672547 O\n0.680270 0.741271 0.429671 O\n",
"nsites": 8,
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],
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"density": 4.015620392225232,
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"volume": 145.10315126009502,
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"formula_full": "Cu2 Br2 O4",
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"spacegroup": 20
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{
"id": "jvasp-37529",
"created_at": "2022-09-04T14:38:08.268927Z",
"updated_at": "2022-09-04T14:38:08.268953Z",
"structure_string": "Yb1 Sm1 Pd2\n1.0\n0.000000 3.498013 3.498013\n3.498013 0.000000 3.498013\n3.498013 3.498013 0.000000\nYb Sm Pd\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Yb\n0.249999 0.249999 0.249999 Sm\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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"spacegroup": 225
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{
"id": "jvasp-59246",
"created_at": "2022-09-04T14:38:08.273295Z",
"updated_at": "2022-09-04T14:38:08.273321Z",
"structure_string": "Ta4 Ga4 O16\n1.0\n5.005125 0.000000 0.000000\n0.000000 5.626340 0.000000\n0.000000 0.000000 9.335288\nTa Ga O\n4 4 16\ndirect\n0.762257 0.583031 0.126955 Ta\n0.762257 0.083031 0.373045 Ta\n0.262257 0.916969 0.626956 Ta\n0.262257 0.416969 0.873045 Ta\n0.245526 0.433173 0.378939 Ga\n0.745526 0.566827 0.621061 Ga\n0.745526 0.066827 0.878939 Ga\n0.245526 0.933173 0.121061 Ga\n0.921890 0.362577 0.991441 O\n0.417245 0.140231 0.987276 O\n0.576630 0.353273 0.759419 O\n0.076448 0.123364 0.762409 O\n0.576630 0.853273 0.740581 O\n0.076448 0.623364 0.737591 O\n0.417245 0.640231 0.512724 O\n0.576448 0.376636 0.262409 O\n0.917245 0.359769 0.487276 O\n0.421891 0.137423 0.491441 O\n0.421891 0.637423 0.008560 O\n0.076631 0.146727 0.259419 O\n0.576448 0.876636 0.237591 O\n0.076631 0.646727 0.240581 O\n0.921890 0.862577 0.508560 O\n0.917245 0.859769 0.012724 O\n",
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"density": 7.950486583670296,
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"formula_full": "Ta4 Ga4 O16",
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"spacegroup": 33
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{
"id": "jvasp-36884",
"created_at": "2022-09-04T14:38:08.274865Z",
"updated_at": "2022-09-04T14:38:08.274891Z",
"structure_string": "Tl1 Fe1 F3\n1.0\n4.182457 -0.045691 -0.004043\n0.049179 4.182888 -0.003860\n0.004477 0.004190 4.184955\nTl Fe F\n1 1 3\ndirect\n0.990070 0.992047 0.993999 Tl\n0.489960 0.491961 0.494017 Fe\n0.989965 0.492036 0.493989 F\n0.490014 0.991974 0.493988 F\n0.489995 0.491986 0.994016 F\n",
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"formula_full": "Tl1 Fe1 F3",
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},
{
"id": "jvasp-45067",
"created_at": "2022-09-04T14:38:08.296204Z",
"updated_at": "2022-09-04T14:38:08.296222Z",
"structure_string": "Mg4 Fe2 O8\n1.0\n0.000000 4.184086 4.184086\n-4.184116 4.184086 0.000000\n-0.000000 -4.184086 4.184086\nMg Fe O\n4 2 8\ndirect\n0.375000 0.750001 0.375000 Mg\n0.875001 0.750001 0.375000 Mg\n0.375000 0.250000 0.875001 Mg\n0.375000 0.250000 0.375000 Mg\n0.750001 0.500000 0.750001 Fe\n0.000000 0.000000 0.000000 Fe\n0.623422 0.753157 0.623435 O\n0.623422 0.753157 0.129722 O\n0.126578 0.746845 0.126565 O\n0.126578 0.746845 0.620279 O\n0.620279 0.253156 0.126578 O\n0.126565 0.253156 0.126578 O\n0.623435 0.246844 0.623422 O\n0.129722 0.246844 0.623422 O\n",
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"formula_full": "Mg4 Fe2 O8",
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{
"id": "jvasp-11469",
"created_at": "2022-09-04T14:38:08.373681Z",
"updated_at": "2022-09-04T14:38:08.373706Z",
"structure_string": "Ca1 Ni4 O8\n1.0\n5.105600 -0.017422 3.886100\n1.916073 4.732454 3.886100\n-0.025945 -0.017422 6.416250\nCa Ni O\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Ca\n0.500001 0.999999 0.500001 Ni\n0.999999 0.500000 0.500001 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.767461 0.285722 0.767460 O\n0.232539 0.232540 0.714278 O\n0.232538 0.714279 0.232539 O\n0.714277 0.232540 0.232539 O\n0.274674 0.274675 0.274674 O\n0.725326 0.725326 0.725326 O\n0.285723 0.767462 0.767461 O\n0.767462 0.767462 0.285722 O\n",
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{
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"created_at": "2022-09-04T14:38:08.301071Z",
"updated_at": "2022-09-04T14:38:08.301087Z",
"structure_string": "Li4 V4 F14\n1.0\n4.959768 -0.326469 0.460855\n-0.280649 4.962572 -0.460855\n3.303127 -3.333776 10.652216\nLi V F\n4 4 14\ndirect\n0.250187 0.146300 0.487255 Li\n0.646301 0.750186 0.012745 Li\n0.353700 0.249812 0.987255 Li\n0.749813 0.853698 0.512745 Li\n0.028166 0.994604 0.245448 V\n0.494605 0.528166 0.254552 V\n0.505395 0.471833 0.745448 V\n0.971834 0.005395 0.754552 V\n0.693309 0.366144 0.871325 F\n0.779744 0.686014 0.628178 F\n0.814603 0.314602 0.250000 F\n0.813985 0.720256 0.128178 F\n0.355776 0.102154 0.624403 F\n0.644224 0.897844 0.375597 F\n0.306691 0.633854 0.128675 F\n0.185397 0.685396 0.750000 F\n0.220257 0.313984 0.371822 F\n0.602155 0.855775 0.875597 F\n0.397846 0.144224 0.124403 F\n0.133855 0.806690 0.371325 F\n0.186016 0.279743 0.871822 F\n0.866145 0.193308 0.628676 F\n",
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{
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"created_at": "2022-09-04T14:38:08.304635Z",
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"structure_string": "Ba2 Li1 Hg1\n1.0\n-12.430218 -7.508740 -1.045727\n-8.945695 -4.376201 2.611130\n-5.910996 0.299013 0.545918\nBa Li Hg\n2 1 1\ndirect\n0.749989 0.000009 0.999991 Ba\n0.250012 0.999990 0.000011 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Hg\n",
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{
"id": "jvasp-29979",
"created_at": "2022-09-04T14:38:08.314479Z",
"updated_at": "2022-09-04T14:38:08.314490Z",
"structure_string": "Nd1 Pb6 F15\n1.0\n3.598569 0.000355 2.075319\n1.199857 3.392645 2.075319\n-0.247899 -0.175291 29.532462\nNd Pb F\n1 6 15\ndirect\n0.052304 0.052305 0.840386 Nd\n0.044235 0.044235 0.986673 Pb\n0.038868 0.038868 0.131709 Pb\n0.037481 0.037481 0.275049 Pb\n0.035621 0.035621 0.418688 Pb\n0.032576 0.032576 0.705830 Pb\n0.032812 0.032812 0.562799 Pb\n0.724155 0.724152 0.838140 F\n0.505403 0.505401 0.788975 F\n0.791877 0.791874 0.666118 F\n0.273853 0.273852 0.888287 F\n0.284500 0.284499 0.740759 F\n0.784655 0.784651 0.526282 F\n0.791312 0.791309 0.237699 F\n0.788716 0.788713 0.381640 F\n0.284688 0.284687 0.454810 F\n0.296220 0.296219 0.021539 F\n0.285343 0.285342 0.311676 F\n0.788631 0.788627 0.096107 F\n0.285989 0.285988 0.168643 F\n0.276004 0.276003 0.601448 F\n0.814768 0.814765 0.942171 F\n",
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],
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}