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{
"id": "jvasp-116484",
"created_at": "2022-09-04T14:38:42.938285Z",
"updated_at": "2022-09-04T14:38:42.938310Z",
"structure_string": "Li4 Mn2 Sn2 S8\n1.0\n6.828645 0.000000 0.000000\n-0.000000 5.035991 4.041024\n-0.000000 0.033445 10.240983\nLi Mn Sn S\n4 2 2 8\ndirect\n0.338507 0.165151 0.225840 Li\n0.661492 0.165151 0.725840 Li\n0.833187 0.913454 0.479125 Li\n0.166813 0.913455 0.979125 Li\n0.169762 0.418686 0.475933 Mn\n0.830237 0.418687 0.975932 Mn\n0.669454 0.667216 0.227192 Sn\n0.330545 0.667217 0.727191 Sn\n0.333538 0.539728 0.229344 S\n0.666461 0.539729 0.729343 S\n0.839020 0.293701 0.476576 S\n0.160979 0.293701 0.976575 S\n0.832151 0.789869 0.975747 S\n0.167849 0.789869 0.475748 S\n0.676169 0.047126 0.225341 S\n0.323831 0.047127 0.725340 S\n",
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{
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"structure_string": "Li4 Fe2 Co2 O8\n1.0\n4.949851 -0.060728 2.823029\n-1.631490 4.673644 2.823029\n0.046289 0.064347 5.722162\nLi Fe Co O\n4 2 2 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 -0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.499999 0.000001 Li\n0.500000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.777819 0.756053 0.983118 O\n0.761180 0.238704 0.483490 O\n0.238704 0.761180 -0.016510 O\n0.756053 0.777818 0.483118 O\n0.243947 0.222181 0.516882 O\n0.761295 0.238819 0.016511 O\n0.238820 0.761295 0.516511 O\n0.222181 0.243946 0.016883 O\n",
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{
"id": "jvasp-111114",
"created_at": "2022-09-04T14:38:38.213565Z",
"updated_at": "2022-09-04T14:38:38.213582Z",
"structure_string": "Ag2 Bi1 Sb1 Se4\n1.0\n5.322373 0.020124 -4.813091\n-1.035718 5.220666 -4.813091\n-0.016460 -0.020124 7.175878\nAg Bi Sb Se\n2 1 1 4\ndirect\n0.499999 0.500000 -0.000000 Ag\n0.250000 0.750001 0.500001 Ag\n0.749999 0.250000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n0.497068 0.997069 0.500001 Se\n0.247196 0.247196 -0.000000 Se\n0.002931 0.502932 0.500001 Se\n0.752803 0.752804 -0.000000 Se\n",
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"formula_full": "Ag2 Bi1 Sb1 Se4",
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{
"id": "jvasp-108966",
"created_at": "2022-09-04T14:38:17.839749Z",
"updated_at": "2022-09-04T14:38:17.839780Z",
"structure_string": "Li2 Mn1 Ni1 O4\n1.0\n2.835922 0.000000 0.000000\n-0.000000 4.731283 1.795904\n-0.000000 0.090723 5.127187\nLi Mn Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.499999 0.500000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.289576 0.256869 O\n0.500000 0.260000 0.726827 O\n0.000000 0.710423 0.743131 O\n0.500000 0.739999 0.273174 O\n",
"nsites": 8,
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],
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"volume": 68.33222941369945,
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"formula_full": "Li2 Mn1 Ni1 O4",
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{
"id": "jvasp-108809",
"created_at": "2022-09-04T14:38:19.721215Z",
"updated_at": "2022-09-04T14:38:19.721233Z",
"structure_string": "Al1 Cr4 Ga1 C2\n1.0\n2.857927 0.000000 0.000000\n-1.428963 2.475038 0.000000\n0.000000 0.000000 12.547321\nAl Cr Ga C\n1 4 1 2\ndirect\n0.666668 0.333334 -0.000000 Al\n0.666668 0.333334 0.663668 Cr\n0.333335 0.666667 0.833784 Cr\n0.333335 0.666667 0.166216 Cr\n0.666668 0.333334 0.336332 Cr\n0.333335 0.666667 0.500000 Ga\n0.000000 0.000000 0.748766 C\n0.000000 0.000000 0.251234 C\n",
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{
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"created_at": "2022-09-04T14:38:29.237637Z",
"updated_at": "2022-09-04T14:38:29.237654Z",
"structure_string": "Li6 Cr3 Fe3 O12\n1.0\n-5.042962 -0.002962 0.023969\n-0.009837 -5.672877 -0.011749\n2.475078 1.430079 7.044325\nLi Cr Fe O\n6 3 3 12\ndirect\n0.005554 0.754455 0.502359 Li\n-0.005554 0.245545 0.497641 Li\n0.000587 0.920922 0.167473 Li\n0.001276 0.412969 0.167193 Li\n-0.000587 0.079078 0.832526 Li\n-0.001277 0.587031 0.832806 Li\n0.500000 0.500000 0.500000 Cr\n0.499603 0.675628 0.166447 Cr\n0.500397 0.324372 0.833552 Cr\n0.500065 0.160720 0.166213 Fe\n0.499934 0.839280 0.833787 Fe\n0.499999 -0.000000 0.500000 Fe\n0.724115 0.624911 0.993319 O\n0.268923 0.039133 0.667223 O\n0.275988 0.544302 0.673877 O\n0.724853 0.794241 0.663205 O\n0.730250 0.289804 0.662634 O\n0.269749 0.710195 0.337365 O\n0.731076 0.960866 0.332776 O\n0.275147 0.205758 0.336795 O\n0.268310 0.878571 0.000813 O\n0.724012 0.455698 0.326122 O\n0.275885 0.375089 0.006681 O\n0.731690 0.121429 0.999186 O\n",
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"spacegroup": 2
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{
"id": "jvasp-109133",
"created_at": "2022-09-04T14:38:27.264470Z",
"updated_at": "2022-09-04T14:38:27.264491Z",
"structure_string": "V1 Ga2 Fe1 Co4\n1.0\n3.876943 0.000424 5.826903\n1.761664 3.453582 5.826903\n0.000693 0.000424 6.998821\nV Ga Fe Co\n1 2 1 4\ndirect\n0.499999 0.499998 0.500001 V\n0.250221 0.250221 0.250222 Ga\n0.749778 0.749776 0.749780 Ga\n0.000000 0.000000 0.000000 Fe\n0.624735 0.624734 0.624737 Co\n0.125552 0.125552 0.125553 Co\n0.874447 0.874445 0.874450 Co\n0.375264 0.375263 0.375265 Co\n",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-108094",
"created_at": "2022-09-04T14:38:27.129278Z",
"updated_at": "2022-09-04T14:38:27.129300Z",
"structure_string": "Na1 Li1 As2 S4\n1.0\n5.151328 0.005394 -1.996742\n-0.816563 5.055342 -2.163769\n-0.050794 -0.005532 6.588432\nNa Li As S\n1 1 2 4\ndirect\n0.475384 0.220204 0.951214 Na\n0.976901 0.748901 0.962169 Li\n0.156219 0.473540 0.393325 As\n0.654904 0.909399 0.390323 As\n0.509013 0.739153 -0.005591 S\n0.996447 0.261563 -0.002778 S\n0.248700 0.917519 0.444120 S\n0.772240 0.538878 0.485537 S\n",
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{
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"created_at": "2022-09-04T14:38:18.823654Z",
"updated_at": "2022-09-04T14:38:18.823670Z",
"structure_string": "Zn1 Cu2 Ge1 Se4\n1.0\n5.144800 -0.000000 -2.329874\n-1.055107 5.035446 -2.329874\n0.033641 0.041421 6.919565\nZn Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500001 Cu\n0.249999 0.750001 0.500001 Cu\n0.500000 0.500000 0.000001 Ge\n0.383381 0.383382 0.259669 Se\n0.123712 0.616619 0.740332 Se\n0.616618 0.123713 0.740332 Se\n0.876287 0.876288 0.259670 Se\n",
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{
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"created_at": "2022-09-04T14:38:29.499278Z",
"updated_at": "2022-09-04T14:38:29.499298Z",
"structure_string": "Sn4 P2 Cl2 O8\n1.0\n4.773511 0.000000 0.000000\n-2.386756 4.468739 0.000000\n0.000000 0.000000 13.403598\nSn P Cl O\n4 2 2 8\ndirect\n0.224491 0.393170 0.109838 Sn\n0.831320 0.606830 0.609838 Sn\n0.831320 0.606830 0.890162 Sn\n0.224491 0.393170 0.390162 Sn\n0.919650 0.730165 0.250000 P\n0.189485 0.269835 0.750000 P\n0.453249 0.000000 0.000000 Cl\n0.453249 0.000000 0.500000 Cl\n0.726888 0.600652 0.153820 O\n0.549858 0.350008 0.750000 O\n0.073047 0.079308 0.250000 O\n0.126236 0.399348 0.846180 O\n0.726888 0.600652 0.346180 O\n0.126236 0.399348 0.653821 O\n0.199850 0.649992 0.250000 O\n0.993738 0.920692 0.750000 O\n",
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{
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"structure_string": "La1 Bi2 Cl1 O4\n1.0\n3.978396 -0.000000 0.000000\n0.000000 3.978396 0.000000\n-0.000000 -0.000000 9.112550\nLa Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500001 0.285831 Bi\n0.500001 0.500001 0.714169 Bi\n0.000000 0.000000 0.500000 Cl\n-0.000000 0.500001 0.166031 O\n-0.000000 0.500001 0.833969 O\n0.500001 0.000000 0.166031 O\n0.500001 0.000000 0.833969 O\n",
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"structure_string": "Li2 V1 Cr1 O4\n1.0\n2.905223 0.001050 0.001513\n-0.001901 5.100403 -0.007000\n-0.001589 -1.761671 4.839400\nLi V Cr O\n2 1 1 4\ndirect\n0.499999 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 V\n0.500000 0.500000 -0.000000 Cr\n0.000025 0.272728 0.757705 O\n0.499992 0.729829 0.749800 O\n0.500007 0.270170 0.250200 O\n-0.000025 0.727272 0.242295 O\n",
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}
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}