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{
"id": "jvasp-43916",
"created_at": "2022-09-04T14:36:58.711851Z",
"updated_at": "2022-09-04T14:36:58.711866Z",
"structure_string": "Li8 V4 F16\n1.0\n5.973006 0.000000 0.000000\n0.000000 5.973006 0.000000\n0.000000 0.000000 8.446868\nLi V F\n8 4 16\ndirect\n0.250734 0.250734 0.375000 Li\n0.250734 0.749267 0.125000 Li\n0.284077 0.500000 0.750000 Li\n0.500000 0.284077 0.000000 Li\n0.500000 0.715924 0.500000 Li\n0.715924 0.500000 0.250000 Li\n0.749267 0.250734 0.625000 Li\n0.749267 0.749267 0.875000 Li\n0.731570 0.000000 0.250000 V\n0.268431 0.000000 0.750000 V\n0.000000 0.731570 0.500000 V\n0.000000 0.268431 0.000000 V\n0.747538 0.021014 0.003119 F\n0.747538 0.978987 0.496881 F\n0.744532 0.499708 0.011508 F\n0.744532 0.500293 0.488492 F\n0.500293 0.744532 0.261508 F\n0.500293 0.255469 0.238492 F\n0.499708 0.744532 0.738493 F\n0.021014 0.747538 0.746882 F\n0.255469 0.500293 0.511508 F\n0.255469 0.499708 0.988493 F\n0.252463 0.978987 0.503119 F\n0.252463 0.021014 0.996882 F\n0.978987 0.252463 0.246881 F\n0.021014 0.252463 0.753119 F\n0.499708 0.255469 0.761508 F\n0.978987 0.747538 0.253119 F\n",
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{
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"structure_string": "K3 Dy1 Cl6\n1.0\n6.744321 -0.000000 3.893835\n2.248107 6.358607 3.893835\n-0.000000 -0.000000 7.787671\nK Dy Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Dy\n0.762810 0.237190 0.237190 Cl\n0.237190 0.237190 0.762811 Cl\n0.237190 0.762811 0.762811 Cl\n0.237190 0.762811 0.237190 Cl\n0.762810 0.237190 0.762811 Cl\n0.762811 0.762811 0.237190 Cl\n",
"nsites": 10,
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"volume": 333.9702735858253,
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"formula_full": "K3 Dy1 Cl6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-104127",
"created_at": "2022-09-04T14:36:58.771897Z",
"updated_at": "2022-09-04T14:36:58.771913Z",
"structure_string": "H10 C15 S2\n1.0\n3.811460 0.000000 -0.219773\n0.000000 6.223086 0.000000\n0.325839 0.000000 12.481082\nH C S\n10 15 2\ndirect\n0.876391 0.165743 0.089742 H\n0.885725 0.855462 0.091154 H\n0.668380 0.728822 0.575822 H\n0.331620 0.728822 0.424178 H\n0.507832 0.832817 0.230715 H\n0.114275 0.855462 0.908846 H\n0.275460 0.177638 0.483801 H\n0.724541 0.177638 0.516199 H\n0.123609 0.165743 0.910258 H\n0.492168 0.832817 0.769285 H\n0.933542 0.703705 0.051027 C\n0.067545 0.317916 0.949090 C\n0.932456 0.317916 0.050910 C\n0.137574 0.510594 0.895214 C\n0.862426 0.510594 0.104786 C\n0.066458 0.703705 0.948973 C\n0.500000 0.286754 0.500000 C\n0.434112 0.676922 0.733457 C\n0.726315 0.512362 0.212360 C\n0.565893 0.414864 0.400605 C\n0.434107 0.414864 0.599395 C\n0.565888 0.676922 0.266543 C\n0.473363 0.621515 0.372196 C\n0.526638 0.621515 0.627804 C\n0.273686 0.512362 0.787640 C\n0.238082 0.287097 0.705248 S\n0.761919 0.287097 0.294752 S\n",
"nsites": 27,
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"elements": [
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{
"id": "jvasp-107698",
"created_at": "2022-09-04T14:36:58.830085Z",
"updated_at": "2022-09-04T14:36:58.830106Z",
"structure_string": "Tb1 Pm1 Ir2\n1.0\n4.261244 0.000000 2.460231\n1.420415 4.017540 2.460231\n-0.000000 -0.000000 4.920461\nTb Pm Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.500000 0.500000 Pm\n0.249999 0.250000 0.250000 Ir\n0.749998 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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],
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{
"id": "jvasp-15590",
"created_at": "2022-09-04T14:36:58.653288Z",
"updated_at": "2022-09-04T14:36:58.653322Z",
"structure_string": "U1 Si2 Au2\n1.0\n3.958261 0.000000 -1.499391\n-0.567970 3.917300 -1.499391\n0.016216 0.018737 6.017238\nU Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.609974 0.609974 0.219948 Si\n0.390027 0.390027 0.780053 Si\n0.750000 0.250000 0.500001 Au\n0.250000 0.750000 0.500001 Au\n",
"nsites": 5,
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{
"id": "jvasp-107583",
"created_at": "2022-09-04T14:36:58.660989Z",
"updated_at": "2022-09-04T14:36:58.661013Z",
"structure_string": "Ba2 Mn4 N4\n1.0\n4.397121 -0.000000 4.720846\n4.397122 4.397121 0.000000\n0.000000 -0.000000 9.441692\nBa Mn N\n2 4 4\ndirect\n-0.000000 0.000000 0.250000 Ba\n-0.000000 0.000000 0.750000 Ba\n0.729057 0.500000 0.635472 Mn\n0.270942 0.500000 0.364528 Mn\n0.270942 0.229057 0.864528 Mn\n0.729057 0.770942 0.135472 Mn\n0.680342 0.500000 0.159829 N\n0.319657 0.500000 0.840171 N\n0.319657 0.180343 0.340171 N\n0.680342 0.819657 0.659829 N\n",
"nsites": 10,
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"volume": 182.55202822363702,
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"formula_full": "Ba2 Mn4 N4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 140
},
{
"id": "jvasp-60643",
"created_at": "2022-09-04T14:36:58.662526Z",
"updated_at": "2022-09-04T14:36:58.662554Z",
"structure_string": "Bi4 As4 O16\n1.0\n0.000000 6.824799 0.025099\n7.215868 0.000000 0.000000\n0.000000 -5.007263 -6.715303\nBi As O\n4 4 16\ndirect\n0.195888 0.637814 0.779405 Bi\n0.804113 0.137814 0.720594 Bi\n0.804113 0.362187 0.220594 Bi\n0.195887 0.862187 0.279405 Bi\n0.686813 0.661562 0.799013 As\n0.313188 0.161561 0.700986 As\n0.313187 0.338439 0.200986 As\n0.686813 0.838439 0.299013 As\n0.127408 0.145171 0.108523 O\n0.872593 0.645171 0.391476 O\n0.837703 0.497933 0.762890 O\n0.162297 -0.002067 0.737109 O\n0.162297 0.502068 0.237110 O\n0.837703 0.002067 0.262890 O\n0.638869 0.895681 0.475653 O\n0.384576 0.792500 0.107600 O\n0.361131 0.104319 0.524346 O\n0.638869 0.604320 0.975653 O\n0.127408 0.354829 0.608523 O\n0.615424 0.292500 0.392400 O\n0.615424 0.207500 0.892399 O\n0.384577 0.707500 0.607600 O\n0.361131 0.395681 0.024347 O\n0.872593 0.854829 0.891476 O\n",
"nsites": 24,
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},
{
"id": "jvasp-32238",
"created_at": "2022-09-04T14:36:58.680972Z",
"updated_at": "2022-09-04T14:36:58.680997Z",
"structure_string": "Ge2 Br4 F20\n1.0\n5.064914 0.033147 0.000000\n-2.171043 5.952948 0.000000\n0.000000 0.000000 12.835476\nGe Br F\n2 4 20\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.349149 0.657145 0.138067 Br\n0.150852 0.842856 0.638068 Br\n0.650851 0.342856 0.861933 Br\n0.849148 0.157145 0.361933 Br\n0.072977 0.082583 0.681891 F\n0.427023 0.417417 0.181891 F\n0.536405 0.083304 0.286176 F\n0.963594 0.416697 0.786176 F\n0.463595 0.916697 0.713824 F\n0.036406 0.583304 0.213824 F\n0.377308 0.646954 0.404817 F\n0.122693 0.853047 0.904817 F\n0.622693 0.353047 0.595183 F\n0.744017 0.042599 0.903396 F\n0.755982 0.457402 0.403396 F\n0.572978 0.582584 0.818109 F\n0.244018 0.542599 0.596604 F\n0.255983 0.957402 0.096604 F\n0.230883 0.226333 0.459494 F\n0.269118 0.273667 0.959494 F\n0.769118 0.773667 0.540506 F\n0.730883 0.726334 0.040506 F\n0.877307 0.146954 0.095183 F\n0.927023 0.917418 0.318109 F\n",
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],
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{
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"created_at": "2022-09-04T14:36:58.683964Z",
"updated_at": "2022-09-04T14:36:58.683988Z",
"structure_string": "Ho2 Ag2 Pb2\n1.0\n2.389843 -4.139329 0.000000\n2.389843 4.139329 -0.000000\n-0.000000 -0.000000 7.460053\nHo Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.013237 Ho\n0.000000 0.000000 0.513237 Ho\n0.666666 0.333332 0.332637 Ag\n0.333332 0.666666 0.832637 Ag\n0.333332 0.666666 0.234026 Pb\n0.666666 0.333332 0.734026 Pb\n",
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{
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"structure_string": "Li8 U4 O16\n1.0\n5.116661 -0.000000 0.000000\n-0.000000 6.068029 0.000000\n0.000000 0.000000 10.587449\nLi U O\n8 4 16\ndirect\n0.543006 0.750000 0.926977 Li\n0.043006 0.250000 0.573023 Li\n0.456994 0.250000 0.073023 Li\n0.956993 0.750000 0.426977 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.513134 0.750000 0.237817 U\n0.013134 0.250000 0.262183 U\n0.486866 0.250000 0.762183 U\n0.986865 0.750000 0.737817 U\n0.319911 0.750000 0.397915 O\n0.819911 0.250000 0.102085 O\n0.767412 0.513944 0.335957 O\n0.267412 0.486057 0.164043 O\n0.232588 0.013943 0.664043 O\n0.732587 0.986057 0.835957 O\n0.232588 0.486057 0.664043 O\n0.225823 0.250000 0.414277 O\n0.767412 0.986057 0.335957 O\n0.267412 0.013943 0.164043 O\n0.725823 0.750000 0.085723 O\n0.274177 0.250000 0.914277 O\n0.774177 0.750000 0.585723 O\n0.180089 0.750000 0.897915 O\n0.732587 0.513944 0.835957 O\n0.680089 0.250000 0.602085 O\n",
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{
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"created_at": "2022-09-04T14:36:59.380691Z",
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"structure_string": "Na1 Ir1 Pb1\n1.0\n0.000000 3.224724 3.224724\n3.224724 0.000000 3.224724\n3.224724 3.224724 0.000000\nNa Ir Pb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Na\n0.499999 0.499999 0.499999 Ir\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-15294",
"created_at": "2022-09-04T14:36:58.698827Z",
"updated_at": "2022-09-04T14:36:58.698856Z",
"structure_string": "Ce2 S1 O2\n1.0\n1.971307 -3.414404 0.000000\n1.971307 3.414404 -0.000000\n0.000000 -0.000000 6.769408\nCe S O\n2 1 2\ndirect\n0.666667 0.333334 0.720839 Ce\n0.333334 0.666667 0.279161 Ce\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.628917 O\n0.666667 0.333334 0.371083 O\n",
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]
}