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{
"id": "jvasp-56438",
"created_at": "2022-09-04T14:37:08.443101Z",
"updated_at": "2022-09-04T14:37:08.443111Z",
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{
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"structure_string": "Pb4 C4 N8\n1.0\n3.838556 0.000000 0.000000\n0.000000 5.587220 0.000000\n0.000000 0.000000 11.927296\nPb C N\n4 4 8\ndirect\n0.471336 0.390862 0.636734 Pb\n0.971336 0.109138 0.136734 Pb\n0.971336 0.609138 0.363266 Pb\n0.471336 0.890862 0.863267 Pb\n0.971220 0.383274 0.897426 C\n0.471219 0.616726 0.102574 C\n0.971220 0.883274 0.602575 C\n0.471219 0.116726 0.397426 C\n0.471214 0.821279 0.060794 N\n0.971214 0.678721 0.560794 N\n0.471234 0.921685 0.350706 N\n0.971235 0.578315 0.850706 N\n0.471234 0.421685 0.149294 N\n0.471214 0.321279 0.439206 N\n0.971214 0.178721 0.939206 N\n0.971235 0.078315 0.649294 N\n",
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{
"id": "jvasp-5215",
"created_at": "2022-09-04T14:37:08.344950Z",
"updated_at": "2022-09-04T14:37:08.344971Z",
"structure_string": "Bi8 Se12\n1.0\n4.167020 0.000000 0.000000\n0.000000 11.627026 0.000000\n0.000000 0.000000 11.966218\nBi Se\n8 12\ndirect\n0.250000 0.961454 0.842552 Bi\n0.750000 0.038547 0.157448 Bi\n0.750000 0.461454 0.657448 Bi\n0.250000 0.538547 0.342552 Bi\n0.250000 0.171087 0.509793 Bi\n0.750000 0.828913 0.490207 Bi\n0.750000 0.671087 0.990207 Bi\n0.250000 0.328913 0.009793 Bi\n0.750000 0.133717 0.945193 Se\n0.250000 0.866283 0.054807 Se\n0.250000 0.553780 0.874384 Se\n0.750000 0.446220 0.125616 Se\n0.750000 0.053780 0.625616 Se\n0.750000 0.698288 0.282283 Se\n0.250000 0.198288 0.217717 Se\n0.750000 0.801713 0.782283 Se\n0.750000 0.366283 0.445193 Se\n0.250000 0.301713 0.717717 Se\n0.250000 0.946220 0.374384 Se\n0.250000 0.633718 0.554807 Se\n",
"nsites": 20,
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{
"id": "jvasp-55531",
"created_at": "2022-09-04T14:37:08.645425Z",
"updated_at": "2022-09-04T14:37:08.645445Z",
"structure_string": "Sr4 Pb4 O12\n1.0\n5.925384 -0.000000 0.000000\n-0.000000 6.093364 0.000000\n0.000000 0.000000 8.427616\nSr Pb O\n4 4 12\ndirect\n0.986031 0.447270 0.250000 Sr\n0.486032 0.052730 0.750000 Sr\n0.513968 0.947270 0.250000 Sr\n0.013968 0.552729 0.750000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.603684 0.458911 0.750000 O\n0.103684 0.041088 0.250000 O\n0.198789 0.297312 0.945741 O\n0.698788 0.202688 0.054260 O\n0.301211 0.797312 0.554260 O\n0.698788 0.202688 0.445741 O\n0.801211 0.702687 0.054260 O\n0.301211 0.797312 0.945741 O\n0.396315 0.541088 0.250000 O\n0.198789 0.297312 0.554260 O\n0.801211 0.702687 0.445741 O\n0.896315 0.958911 0.750000 O\n",
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{
"id": "jvasp-14314",
"created_at": "2022-09-04T14:37:08.630138Z",
"updated_at": "2022-09-04T14:37:08.630168Z",
"structure_string": "Dy4 Mn4 Si4\n1.0\n4.135306 0.000000 0.000000\n-0.000000 6.987560 0.000000\n0.000000 0.000000 7.413325\nDy Mn Si\n4 4 4\ndirect\n0.250000 0.002627 0.812911 Dy\n0.750001 0.997373 0.187088 Dy\n0.250000 0.502627 0.687088 Dy\n0.750001 0.497373 0.312911 Dy\n0.750001 0.859383 0.560885 Mn\n0.250000 0.140617 0.439115 Mn\n0.750001 0.359383 0.939114 Mn\n0.250000 0.640617 0.060885 Mn\n0.250000 0.291828 0.108133 Si\n0.750001 0.708172 0.891867 Si\n0.250000 0.791828 0.391867 Si\n0.750001 0.208172 0.608132 Si\n",
"nsites": 12,
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"formula_full": "Dy4 Mn4 Si4",
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{
"id": "jvasp-54589",
"created_at": "2022-09-04T14:37:08.763276Z",
"updated_at": "2022-09-04T14:37:08.763288Z",
"structure_string": "Mn8 Ge4 S16\n1.0\n6.065813 -0.000648 -0.001852\n0.000803 7.370538 -0.000417\n0.003805 0.000680 12.655859\nMn Ge S\n8 4 16\ndirect\n0.492958 0.749986 0.230987 Mn\n0.007057 0.750026 0.730984 Mn\n0.507093 0.249980 0.769012 Mn\n0.499917 0.000019 0.499996 Mn\n0.992892 0.250020 0.269009 Mn\n0.000100 0.999945 0.000021 Mn\n0.000080 0.499973 -0.000006 Mn\n0.499901 0.500050 0.500016 Mn\n0.417406 0.249983 0.089193 Ge\n0.582696 0.749976 0.910811 Ge\n0.917291 0.750018 0.410809 Ge\n0.082603 0.250027 0.589188 Ge\n0.246282 0.488538 0.167931 S\n0.746340 0.749965 0.072979 S\n0.753777 0.511415 0.832067 S\n0.786832 0.249972 0.092064 S\n0.253730 0.488557 0.667948 S\n0.246227 0.250034 0.427016 S\n0.713179 0.250024 0.592058 S\n0.253762 0.249966 0.927024 S\n0.753779 0.988546 0.832074 S\n0.246288 0.011445 0.167947 S\n0.286716 0.750024 0.407914 S\n0.213272 0.749975 0.907912 S\n0.746202 0.988571 0.332059 S\n0.253734 0.011483 0.667935 S\n0.746199 0.511453 0.332069 S\n0.753667 0.750030 0.572981 S\n",
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},
{
"id": "jvasp-52333",
"created_at": "2022-09-04T14:37:08.788906Z",
"updated_at": "2022-09-04T14:37:08.788927Z",
"structure_string": "Li4 Cu4 S4\n1.0\n3.971358 0.000000 0.000000\n0.000000 6.619019 0.000000\n0.000000 0.000000 7.788615\nLi Cu S\n4 4 4\ndirect\n0.000000 0.111726 0.076236 Li\n0.000000 0.888274 0.576236 Li\n0.500000 0.388230 0.899001 Li\n0.500000 0.611770 0.399002 Li\n0.000000 0.487258 0.204106 Cu\n0.000000 0.512742 0.704106 Cu\n0.500000 0.987308 0.271347 Cu\n0.500000 0.012692 0.771347 Cu\n0.000000 0.820845 0.273527 S\n0.000000 0.179155 0.773527 S\n0.500000 0.320826 0.201751 S\n0.500000 0.679174 0.701751 S\n",
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"volume": 204.73538191600753,
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"formula_full": "Li4 Cu4 S4",
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"spacegroup": 62
},
{
"id": "jvasp-34555",
"created_at": "2022-09-04T14:37:08.954133Z",
"updated_at": "2022-09-04T14:37:08.954153Z",
"structure_string": "Y4 Se4 F4\n1.0\n5.698844 0.000000 0.000000\n-0.000000 5.745745 0.000000\n0.000000 0.000000 7.673607\nY Se F\n4 4 4\ndirect\n0.250000 0.871954 0.821264 Y\n0.749999 0.371955 0.678736 Y\n0.749999 0.128045 0.178736 Y\n0.250000 0.628045 0.321264 Y\n0.749999 0.619722 0.327344 Se\n0.250000 0.119723 0.172656 Se\n0.749999 0.880276 0.827344 Se\n0.250000 0.380277 0.672656 Se\n0.250000 0.870673 0.538450 F\n0.250000 0.629326 0.038449 F\n0.749999 0.129327 0.461551 F\n0.749999 0.370673 0.961551 F\n",
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{
"id": "jvasp-54642",
"created_at": "2022-09-04T14:37:09.010896Z",
"updated_at": "2022-09-04T14:37:09.010916Z",
"structure_string": "Tb12 Ni4\n1.0\n6.275412 -0.000000 0.000000\n0.000000 6.807285 0.000000\n0.000000 0.000000 9.561384\nTb Ni\n12 4\ndirect\n0.141447 0.031423 0.250000 Tb\n0.641447 0.468577 0.750000 Tb\n0.323913 0.820907 0.565036 Tb\n0.676087 0.179092 0.434963 Tb\n0.358553 0.531422 0.250000 Tb\n0.858553 0.968577 0.750000 Tb\n0.823912 0.679091 0.065036 Tb\n0.676087 0.179092 0.065036 Tb\n0.323913 0.820907 0.934963 Tb\n0.823912 0.679091 0.434963 Tb\n0.176087 0.320908 0.934963 Tb\n0.176087 0.320908 0.565036 Tb\n0.560396 0.888995 0.250000 Ni\n0.060396 0.611004 0.750000 Ni\n0.439603 0.111004 0.750000 Ni\n0.939603 0.388995 0.250000 Ni\n",
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{
"id": "jvasp-13857",
"created_at": "2022-09-04T14:37:09.086056Z",
"updated_at": "2022-09-04T14:37:09.086075Z",
"structure_string": "Er4 Ga4 Co4\n1.0\n4.089703 -0.000000 0.000000\n-0.000000 6.627345 0.000000\n0.000000 0.000000 7.542302\nEr Ga Co\n4 4 4\ndirect\n0.250000 0.525542 0.685478 Er\n0.250000 0.025542 0.814521 Er\n0.750000 0.974459 0.185478 Er\n0.750000 0.474458 0.314522 Er\n0.750000 0.343653 0.934068 Ga\n0.250000 0.156348 0.434068 Ga\n0.250000 0.656348 0.065932 Ga\n0.750000 0.843653 0.565932 Ga\n0.750000 0.227989 0.616122 Co\n0.250000 0.772011 0.383878 Co\n0.750000 0.727990 0.883878 Co\n0.250000 0.272011 0.116122 Co\n",
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{
"id": "jvasp-42694",
"created_at": "2022-09-04T14:37:09.103385Z",
"updated_at": "2022-09-04T14:37:09.103405Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.708685 0.000000 0.000000\n0.000000 6.062744 0.000000\n0.000000 0.000000 10.043310\nLi Cr Si O\n4 4 4 16\ndirect\n0.022474 0.006534 0.216246 Li\n0.477527 0.006534 0.716246 Li\n0.522474 0.506534 0.283754 Li\n0.977527 0.506534 0.783754 Li\n-0.000000 0.256527 0.499999 Cr\n0.500000 0.256527 -0.000001 Cr\n0.500000 0.756527 0.000001 Cr\n0.000000 0.756527 0.500001 Cr\n0.921835 0.006528 0.907669 Si\n0.578166 0.006528 0.407669 Si\n0.421835 0.506528 0.592331 Si\n0.078166 0.506528 0.092331 Si\n0.778407 0.232443 0.848820 O\n0.770978 0.506527 0.582395 O\n0.729023 0.506527 0.082395 O\n0.721595 0.232443 0.348820 O\n0.721595 0.780609 0.348823 O\n0.750569 0.006529 0.558380 O\n0.249432 0.506529 0.441620 O\n0.221595 0.280610 0.151177 O\n0.278406 0.732442 0.651180 O\n0.270978 0.006527 0.917605 O\n0.229023 0.006527 0.417605 O\n0.221594 0.732442 0.151180 O\n0.778406 0.780609 0.848823 O\n0.250568 0.506529 0.941620 O\n0.278406 0.280610 0.651177 O\n0.749433 0.006529 0.058380 O\n",
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],
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"formula_full": "Li4 Cr4 Si4 O16",
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{
"id": "jvasp-11154",
"created_at": "2022-09-04T14:37:09.388953Z",
"updated_at": "2022-09-04T14:37:09.388986Z",
"structure_string": "Ba8 Ge4\n1.0\n5.416558 -0.000000 0.000000\n0.000000 8.432030 0.000000\n0.000000 0.000000 10.166322\nBa Ge\n8 4\ndirect\n0.750000 0.352826 0.083972 Ba\n0.250000 0.647174 0.916028 Ba\n0.750000 0.852826 0.416028 Ba\n0.250000 0.147174 0.583972 Ba\n0.250000 0.019831 0.172850 Ba\n0.750000 0.980169 0.827150 Ba\n0.250000 0.519831 0.327150 Ba\n0.750000 0.480169 0.672850 Ba\n0.250000 0.748043 0.600574 Ge\n0.750000 0.251957 0.399426 Ge\n0.250000 0.248043 0.899426 Ge\n0.750000 0.751957 0.100574 Ge\n",
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}
]
}