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{
"id": "jvasp-108808",
"created_at": "2022-09-04T14:38:20.610462Z",
"updated_at": "2022-09-04T14:38:20.610483Z",
"structure_string": "Al4 Cu4 Ni2\n1.0\n2.974433 0.000000 0.000000\n0.000000 2.974433 0.000000\n0.000000 0.000000 14.141689\nAl Cu Ni\n4 4 2\ndirect\n0.000000 0.000000 0.993316 Al\n0.000000 0.000000 0.188635 Al\n0.000000 0.000000 0.400393 Al\n0.000000 0.000000 0.614185 Al\n0.500000 0.500000 0.295574 Cu\n0.500000 0.500000 0.505661 Cu\n0.500000 0.500000 0.708766 Cu\n0.500000 0.500000 0.896153 Cu\n0.000000 0.000000 0.802306 Ni\n0.500000 0.500000 0.095011 Ni\n",
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{
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"created_at": "2022-09-04T14:38:04.909059Z",
"updated_at": "2022-09-04T14:38:04.909080Z",
"structure_string": "Cr4 O6\n1.0\n4.422340 -0.021113 3.045327\n1.589282 4.126950 3.045327\n-0.030913 -0.021113 5.369371\nCr O\n4 6\ndirect\n0.850449 0.850450 0.850449 Cr\n0.649551 0.649552 0.649551 Cr\n0.149551 0.149552 0.149551 Cr\n0.350449 0.350449 0.350449 Cr\n0.051772 0.750000 0.448228 O\n0.750000 0.448228 0.051773 O\n0.448228 0.051774 0.749999 O\n0.948227 0.250001 0.551772 O\n0.551772 0.948228 0.250001 O\n0.250000 0.551774 0.948227 O\n",
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"formula_full": "Cr4 O6",
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},
{
"id": "jvasp-44219",
"created_at": "2022-09-04T14:38:10.684432Z",
"updated_at": "2022-09-04T14:38:10.684452Z",
"structure_string": "Li1 Cr1 Co2 O6\n1.0\n2.856904 0.000794 -0.000629\n-0.001836 5.834908 0.078192\n-1.426509 -1.548788 5.872254\nLi Cr Co O\n1 1 2 6\ndirect\n0.666671 0.833290 0.333308 Li\n0.666536 0.333311 0.333339 Cr\n0.337931 0.659813 0.675788 Co\n0.995482 0.006880 0.990883 Co\n0.506089 0.221281 0.012044 O\n0.174269 0.563762 0.348633 O\n0.158943 0.102881 0.318046 O\n0.838510 0.876526 0.676922 O\n0.827326 0.445417 0.654622 O\n0.494888 0.790167 0.989743 O\n",
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"elements": [
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"volume": 98.22979719326895,
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"formula_full": "Li1 Cr1 Co2 O6",
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{
"id": "jvasp-53402",
"created_at": "2022-09-04T14:38:10.685283Z",
"updated_at": "2022-09-04T14:38:10.685314Z",
"structure_string": "Rb2 Pb2 F6\n1.0\n6.502075 -0.096473 -0.107529\n3.041898 5.757647 -0.067285\n3.074421 1.783539 5.457110\nRb Pb F\n2 2 6\ndirect\n0.757215 0.787042 0.789361 Rb\n0.257209 0.287319 0.289065 Rb\n0.011753 0.042204 0.044193 Pb\n0.511748 0.542089 0.544320 Pb\n0.818321 0.376930 0.197063 F\n0.164644 0.849572 0.378747 F\n0.664628 0.876633 0.351692 F\n0.318498 0.695017 0.878967 F\n0.347007 0.194538 0.851925 F\n0.847117 0.349659 0.696583 F\n",
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{
"id": "jvasp-109800",
"created_at": "2022-09-04T14:38:20.662093Z",
"updated_at": "2022-09-04T14:38:20.662120Z",
"structure_string": "K4 Zn2 Se4\n1.0\n6.268991 0.004577 -5.131227\n-1.189816 5.819162 -5.509215\n-0.047401 -0.004577 8.101079\nK Zn Se\n4 2 4\ndirect\n0.817030 0.643645 0.173386 K\n0.182970 0.356355 0.826613 K\n0.470258 0.143645 0.326614 K\n0.529741 0.856355 0.673386 K\n-0.000001 0.749999 0.750000 Zn\n-0.000000 0.250000 0.250000 Zn\n0.699419 0.393804 0.305615 Se\n0.300580 0.606195 0.694385 Se\n0.088187 0.893804 0.194385 Se\n0.911812 0.106196 0.805615 Se\n",
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{
"id": "jvasp-108192",
"created_at": "2022-09-04T14:38:20.681405Z",
"updated_at": "2022-09-04T14:38:20.681429Z",
"structure_string": "Li1 Cr1 Co2 O6\n1.0\n6.030902 -0.043930 1.549994\n5.376137 2.733287 1.549994\n-0.071361 -0.016824 5.822847\nLi Cr Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000001 0.000001 0.500000 Cr\n0.328952 0.328955 0.826230 Co\n0.671046 0.671048 0.173769 Co\n0.160626 0.160628 0.389290 O\n0.492990 0.492992 0.730182 O\n0.507008 0.507010 0.269817 O\n0.828169 0.828171 0.043407 O\n0.839372 0.839375 0.610709 O\n0.171829 0.171832 0.956592 O\n",
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"density_atomic": 0.10237053676533624,
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"formula_full": "Li1 Cr1 Co2 O6",
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{
"id": "jvasp-108840",
"created_at": "2022-09-04T14:38:20.804205Z",
"updated_at": "2022-09-04T14:38:20.804228Z",
"structure_string": "Li3 Pd1 F6\n1.0\n4.817073 -0.000000 2.781138\n1.605691 4.541580 2.781138\n-0.000000 -0.000000 5.562277\nLi Pd F\n3 1 6\ndirect\n0.749999 0.750000 0.750001 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Pd\n0.744061 0.255938 0.255939 F\n0.255938 0.255938 0.744063 F\n0.255938 0.744062 0.744063 F\n0.255938 0.744062 0.255939 F\n0.744061 0.255938 0.744063 F\n0.744061 0.744062 0.255939 F\n",
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{
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"created_at": "2022-09-04T14:38:11.916877Z",
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"structure_string": "K2 Sm1 Cu1 Cl6\n1.0\n6.328170 -0.000000 3.653571\n2.109390 5.966256 3.653571\n-0.000000 -0.000000 7.307142\nK Sm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cu\n0.741840 0.258160 0.258160 Cl\n0.258160 0.258160 0.741839 Cl\n0.258160 0.741840 0.741839 Cl\n0.258160 0.741840 0.258160 Cl\n0.741840 0.258160 0.741839 Cl\n0.741840 0.741840 0.258160 Cl\n",
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{
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"structure_string": "Ca2 Sn2 O6\n1.0\n4.962129 -0.000000 2.864886\n1.654043 4.678340 2.864886\n-0.000000 0.000000 5.729773\nCa Sn O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Ca\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750001 Sn\n0.500000 0.500000 0.000001 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:11.057966Z",
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"structure_string": "Zn2 Sn2 O6\n1.0\n4.696533 -0.007380 3.109257\n1.666651 4.390872 3.109257\n-0.010713 -0.007380 5.632477\nZn Sn O\n2 2 6\ndirect\n0.282348 0.282348 0.282348 Zn\n0.782348 0.782347 0.782349 Zn\n0.002275 0.002275 0.002275 Sn\n0.502274 0.502274 0.502276 Sn\n0.606861 0.213447 0.893670 O\n0.213447 0.893668 0.606862 O\n0.893668 0.606860 0.213449 O\n0.393668 0.713447 0.106862 O\n0.106861 0.393668 0.713448 O\n0.713447 0.106861 0.393670 O\n",
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}
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}