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{
"id": "jvasp-45877",
"created_at": "2022-09-04T14:38:08.376825Z",
"updated_at": "2022-09-04T14:38:08.376853Z",
"structure_string": "Li4 Mn2 O2 F4\n1.0\n0.000000 5.894619 -0.000000\n-5.370152 2.947310 -0.000000\n0.000000 -0.000000 4.096128\nLi Mn O F\n4 2 2 4\ndirect\n0.499620 0.662925 0.945271 Li\n0.837455 0.662925 0.445271 Li\n0.500380 0.337075 0.445271 Li\n0.162545 0.337075 0.945271 Li\n0.823294 0.000000 0.945296 Mn\n0.176706 0.000000 0.445296 Mn\n0.813224 0.000000 0.445309 O\n0.186776 0.000000 0.945309 O\n0.837317 0.636176 0.945327 F\n0.526508 0.636176 0.445327 F\n0.473492 0.363824 0.945327 F\n0.162684 0.363824 0.445327 F\n",
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{
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"structure_string": "Sr2 Ni10 As6\n1.0\n3.783427 -0.000000 0.000000\n-1.891714 6.148140 -0.000000\n0.000000 0.000000 11.958670\nSr Ni As\n2 10 6\ndirect\n0.164912 0.329824 0.750000 Sr\n0.835090 0.670176 0.250000 Sr\n0.452443 0.904884 0.855187 Ni\n0.807141 0.614278 0.567074 Ni\n0.547559 0.095116 0.144813 Ni\n0.807141 0.614278 0.932926 Ni\n0.452443 0.904884 0.644813 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.192861 0.385722 0.432926 Ni\n0.547559 0.095116 0.355187 Ni\n0.192861 0.385722 0.067074 Ni\n0.378398 0.756793 0.458966 As\n0.887479 0.774956 0.750000 As\n0.378398 0.756793 0.041034 As\n0.621604 0.243207 0.958966 As\n0.112523 0.225044 0.250000 As\n0.621604 0.243207 0.541034 As\n",
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{
"id": "jvasp-9612",
"created_at": "2022-09-04T14:38:08.788523Z",
"updated_at": "2022-09-04T14:38:08.788553Z",
"structure_string": "Li8 Ge2 O8\n1.0\n5.353182 -0.027324 0.000000\n-0.316625 5.343880 -0.000000\n-0.000000 -0.000000 6.087015\nLi Ge O\n8 2 8\ndirect\n0.124128 0.418655 0.749999 Li\n0.875873 0.581345 0.250000 Li\n0.160950 0.839051 0.000000 Li\n0.839051 0.160950 0.500000 Li\n0.839051 0.160950 0.000000 Li\n0.160950 0.839051 0.500000 Li\n0.581345 0.875873 0.250000 Li\n0.418655 0.124128 0.749999 Li\n0.340688 0.340688 0.250000 Ge\n0.659313 0.659313 0.749999 Ge\n0.731957 0.337803 0.749999 O\n0.203966 0.203966 0.004559 O\n0.796035 0.796035 0.504559 O\n0.203966 0.203966 0.495441 O\n0.796035 0.796035 0.995440 O\n0.662198 0.268043 0.250000 O\n0.337803 0.731957 0.749999 O\n0.268043 0.662198 0.250000 O\n",
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"elements": [
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"spacegroup": 63
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{
"id": "jvasp-37129",
"created_at": "2022-09-04T14:38:08.899025Z",
"updated_at": "2022-09-04T14:38:08.899057Z",
"structure_string": "Pr2 Au2\n1.0\n-3.943000 0.000000 0.000000\n0.000000 0.000000 -4.786726\n-1.971500 -5.674888 0.000000\nPr Au\n2 2\ndirect\n0.136464 0.750001 0.727074 Pr\n0.863536 0.250000 0.272926 Pr\n0.411716 0.750001 0.176569 Au\n0.588284 0.250000 0.823432 Au\n",
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"density": 10.4763863909908,
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{
"id": "jvasp-46797",
"created_at": "2022-09-04T14:38:08.940306Z",
"updated_at": "2022-09-04T14:38:08.940332Z",
"structure_string": "Mn4 Si4 O14\n1.0\n2.656087 4.098530 0.000000\n-2.656087 4.098530 0.000000\n0.000000 0.000000 12.332262\nMn Si O\n4 4 14\ndirect\n0.042912 0.957088 0.000000 Mn\n0.042912 0.957088 0.500000 Mn\n0.014504 0.928698 0.250000 Mn\n0.071302 0.985496 0.750000 Mn\n0.384795 0.298993 0.130958 Si\n0.384795 0.298993 0.369042 Si\n0.701007 0.615205 0.630958 Si\n0.701007 0.615205 0.869042 Si\n0.841604 0.243621 0.635115 O\n0.841604 0.243621 0.864885 O\n0.262140 0.176336 0.469226 O\n0.262140 0.176336 0.030774 O\n0.823664 0.737860 0.969226 O\n0.823664 0.737860 0.530774 O\n0.329423 0.755769 0.635112 O\n0.282819 0.197064 0.250000 O\n0.329423 0.755769 0.864888 O\n0.756379 0.158395 0.135115 O\n0.244231 0.670576 0.364888 O\n0.244231 0.670576 0.135112 O\n0.802936 0.717181 0.750000 O\n0.756379 0.158395 0.364885 O\n",
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"elements": [
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{
"id": "jvasp-18029",
"created_at": "2022-09-04T14:38:09.269547Z",
"updated_at": "2022-09-04T14:38:09.269566Z",
"structure_string": "Ce2 In4 Ir2\n1.0\n4.293749 -0.000000 -0.000000\n-2.146875 5.061269 -0.000000\n-0.000000 0.000000 8.366535\nCe In Ir\n2 4 2\ndirect\n0.067856 0.135712 0.750000 Ce\n0.932145 0.864289 0.250000 Ce\n0.357231 0.714459 0.549841 In\n0.642771 0.285541 0.450158 In\n0.357231 0.714459 0.950158 In\n0.642771 0.285541 0.049841 In\n0.224559 0.449118 0.250000 Ir\n0.775442 0.550882 0.750000 Ir\n",
"nsites": 8,
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"density": 10.264782385646134,
"density_atomic": 0.043999554721695956,
"volume": 181.82002182979457,
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"spacegroup": 63
},
{
"id": "jvasp-37587",
"created_at": "2022-09-04T14:38:09.286432Z",
"updated_at": "2022-09-04T14:38:09.286445Z",
"structure_string": "Sm2 Ni2 Ge4\n1.0\n0.000000 0.000000 4.235638\n4.193856 0.000000 0.000000\n2.096928 8.342281 0.000000\nSm Ni Ge\n2 2 4\ndirect\n0.250000 0.891979 0.216043 Sm\n0.749999 0.108021 0.783957 Sm\n0.749999 0.319235 0.361530 Ni\n0.250000 0.680766 0.638470 Ni\n0.749999 0.457993 0.084015 Ge\n0.250000 0.250965 0.498070 Ge\n0.749999 0.749036 0.501931 Ge\n0.250000 0.542008 0.915985 Ge\n",
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"formula_full": "Sm2 Ni2 Ge4",
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"spacegroup": 63
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{
"id": "jvasp-18053",
"created_at": "2022-09-04T14:38:09.289227Z",
"updated_at": "2022-09-04T14:38:09.289250Z",
"structure_string": "Na2 In4 Au2\n1.0\n4.488927 0.000000 0.000000\n-2.244463 5.294781 0.000000\n0.000000 -0.000000 8.070702\nNa In Au\n2 4 2\ndirect\n0.569987 0.139973 0.250000 Na\n0.430014 0.860027 0.750000 Na\n0.138421 0.276843 0.949816 In\n0.861580 0.723156 0.050184 In\n0.861580 0.723156 0.449816 In\n0.138421 0.276843 0.550184 In\n0.284346 0.568689 0.250000 Au\n0.715656 0.431310 0.750000 Au\n",
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{
"id": "jvasp-12488",
"created_at": "2022-09-04T14:38:09.569071Z",
"updated_at": "2022-09-04T14:38:09.569101Z",
"structure_string": "Bi2 Pb2 Cl2 O4\n1.0\n5.636503 -0.000000 0.000000\n-0.000000 5.174483 -2.343406\n0.000000 -0.019308 6.841966\nBi Pb Cl O\n2 2 2 4\ndirect\n0.750000 0.090626 0.181252 Bi\n0.250000 0.909373 0.818748 Bi\n0.750000 0.392609 0.785219 Pb\n0.250000 0.607390 0.214781 Pb\n0.750000 0.745612 0.491224 Cl\n0.250000 0.254387 0.508776 Cl\n0.500000 0.238637 -0.000000 O\n0.000000 0.761363 -0.000001 O\n0.500000 0.761363 -0.000001 O\n0.000000 0.238637 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:09.515742Z",
"updated_at": "2022-09-04T14:38:09.515759Z",
"structure_string": "Sn4 O8\n1.0\n3.208733 0.000000 -0.000000\n-1.604367 4.986544 -0.000000\n-0.000000 0.000000 10.402395\nSn O\n4 8\ndirect\n0.863000 0.726004 0.081646 Sn\n0.136998 0.273995 0.918354 Sn\n0.863000 0.726004 0.418354 Sn\n0.136998 0.273995 0.581645 Sn\n0.232745 0.465490 0.397138 O\n0.767253 0.534510 0.602862 O\n0.767253 0.534510 0.897137 O\n0.232745 0.465490 0.102862 O\n0.953664 0.907332 0.250000 O\n0.046334 0.092668 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:09.661693Z",
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{
"id": "jvasp-46494",
"created_at": "2022-09-04T14:38:09.765243Z",
"updated_at": "2022-09-04T14:38:09.765268Z",
"structure_string": "Na2 V2 Si2 O8\n1.0\n5.033851 0.115652 0.000000\n2.067423 4.591165 0.000000\n0.000000 -0.000000 6.633910\nNa V Si O\n2 2 2 8\ndirect\n0.317569 0.317569 0.250000 Na\n0.682431 0.682430 0.750000 Na\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.338468 0.338468 0.750000 Si\n0.661532 0.661531 0.250000 Si\n0.222188 0.222187 0.555651 O\n0.222188 0.222187 0.944349 O\n0.203815 0.706001 0.750000 O\n0.293998 0.796184 0.250000 O\n0.706001 0.203815 0.750000 O\n0.796185 0.293998 0.250000 O\n0.777812 0.777811 0.055651 O\n0.777812 0.777811 0.444349 O\n",
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}
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}