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{
"id": "jvasp-13373",
"created_at": "2022-09-04T14:37:02.957561Z",
"updated_at": "2022-09-04T14:37:02.957590Z",
"structure_string": "Sr2 Pr4 Se8\n1.0\n7.860271 0.001473 -0.002553\n-2.618701 7.411227 0.002553\n-2.622870 -3.704876 6.417034\nSr Pr Se\n2 4 8\ndirect\n0.125000 0.749999 0.874999 Sr\n0.375000 0.249999 0.625000 Sr\n0.250000 0.627114 0.377113 Pr\n0.622886 0.372886 0.250000 Pr\n0.750000 0.872886 0.122886 Pr\n0.877113 0.127113 0.750000 Pr\n0.145183 0.152394 0.145578 Se\n0.506815 0.999605 0.354421 Se\n0.354817 0.500395 0.007210 Se\n0.507210 0.000394 0.854816 Se\n0.645578 0.652393 0.645183 Se\n0.992789 0.847606 0.493184 Se\n0.854422 0.499605 0.006816 Se\n0.993184 0.347606 0.492789 Se\n",
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{
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"structure_string": "Sr1 Pr1 Sc1 O4\n1.0\n3.854074 0.013215 -5.746025\n-0.345984 3.838536 -5.746025\n-0.012036 -0.013215 6.918855\nSr Pr Sc O\n1 1 1 4\ndirect\n0.645891 0.645892 0.000001 Sr\n0.360964 0.360965 0.000000 Pr\n0.005661 0.005661 0.000000 Sc\n0.490451 0.990452 0.500000 O\n0.990450 0.490452 0.499999 O\n0.831239 0.831240 0.000001 O\n0.175344 0.175344 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:34.973973Z",
"updated_at": "2022-09-04T14:38:34.974008Z",
"structure_string": "Sr2 Pr4 S8\n1.0\n7.554718 0.001870 -0.003340\n-2.516477 7.123492 0.003362\n-2.521848 -3.560734 6.167271\nSr Pr S\n2 4 8\ndirect\n0.124999 0.750000 0.875000 Sr\n0.375000 0.250000 0.624999 Sr\n0.249999 0.627859 0.377862 Pr\n0.750001 0.872141 0.122139 Pr\n0.622139 0.372141 0.250002 Pr\n0.877862 0.127859 0.749999 Pr\n0.992074 0.847428 0.492643 S\n0.992643 0.347428 0.492074 S\n0.507924 0.000570 0.855354 S\n0.144647 0.152573 0.145216 S\n0.355354 0.500569 0.007924 S\n0.645216 0.652573 0.644647 S\n0.507355 0.999429 0.354784 S\n0.854784 0.499429 0.007355 S\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Pr-S-Sr",
"density": 4.979661029235456,
"density_atomic": 0.04217792244743717,
"volume": 331.927207117587,
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"formula_full": "Sr2 Pr4 S8",
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"formula_anonymous": "AB2C4",
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{
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"created_at": "2022-09-04T14:37:35.619387Z",
"updated_at": "2022-09-04T14:37:35.619427Z",
"structure_string": "Sr4 Pr4 O12\n1.0\n6.190738 0.000000 0.000000\n-0.000000 6.395359 0.000000\n0.000000 0.000000 8.805051\nSr Pr O\n4 4 12\ndirect\n0.976603 0.053221 0.250000 Sr\n0.476603 0.446780 0.750000 Sr\n0.523397 0.553221 0.250000 Sr\n0.023397 0.946780 0.750000 Sr\n0.000000 0.500000 0.000000 Pr\n0.500000 -0.000000 0.000000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.637347 0.070538 0.750000 O\n0.137346 0.429462 0.250000 O\n0.702507 0.294972 0.073957 O\n0.202507 0.205028 0.926043 O\n0.797494 0.794972 0.426043 O\n0.202507 0.205028 0.573957 O\n0.297494 0.705028 0.926043 O\n0.797494 0.794972 0.073957 O\n0.362654 0.929462 0.250000 O\n0.702507 0.294972 0.426043 O\n0.297494 0.705028 0.573957 O\n0.862654 0.570538 0.750000 O\n",
"nsites": 20,
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"elements": [
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"density": 5.268725786267756,
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"volume": 348.60950861900557,
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"formula_full": "Sr4 Pr4 O12",
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{
"id": "jvasp-52148",
"created_at": "2022-09-04T14:37:19.789225Z",
"updated_at": "2022-09-04T14:37:19.789251Z",
"structure_string": "Sr4 Pr4 O12\n1.0\n6.180174 0.000000 0.000000\n0.000000 6.401304 0.000000\n0.000000 0.000000 8.809542\nSr Pr O\n4 4 12\ndirect\n0.021950 0.945510 0.750000 Sr\n0.478050 0.445511 0.750000 Sr\n0.521950 0.554489 0.250000 Sr\n0.978049 0.054489 0.250000 Sr\n-0.000000 0.500000 0.500000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.500000 -0.000000 0.000000 Pr\n0.701698 0.296200 0.073924 O\n0.636523 0.069675 0.750000 O\n0.363476 0.930324 0.250000 O\n0.201698 0.203800 0.573924 O\n0.136523 0.430325 0.250000 O\n0.298302 0.703799 0.573924 O\n0.798301 0.796200 0.426076 O\n0.298302 0.703799 0.926076 O\n0.701698 0.296200 0.426076 O\n0.798301 0.796200 0.073924 O\n0.863476 0.569675 0.750000 O\n0.201698 0.203800 0.926076 O\n",
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"density": 5.270142268411254,
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"volume": 348.5158111211273,
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"formula_full": "Sr4 Pr4 O12",
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{
"id": "jvasp-109357",
"created_at": "2022-09-04T14:38:03.042188Z",
"updated_at": "2022-09-04T14:38:03.042217Z",
"structure_string": "Sr1 Pr1 Mn1 O4\n1.0\n3.672986 -0.029491 -5.794793\n-0.334218 3.657868 -5.794793\n0.027137 0.029491 6.860737\nSr Pr Mn O\n1 1 1 4\ndirect\n0.642604 0.642604 0.000001 Sr\n0.359777 0.359777 0.000001 Pr\n0.003127 0.003127 0.000000 Mn\n0.834899 0.834899 0.000002 O\n0.172131 0.172131 0.000000 O\n0.993732 0.493731 0.500002 O\n0.493731 0.993732 0.500002 O\n",
"nsites": 7,
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"elements": [
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"density": 6.1792581974396015,
"density_atomic": 0.07496807358934839,
"volume": 93.3730808976606,
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"formula_full": "Sr1 Pr1 Mn1 O4",
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"formula_anonymous": "ABCD4",
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"spacegroup": 107
},
{
"id": "jvasp-16069",
"created_at": "2022-09-04T14:36:46.432863Z",
"updated_at": "2022-09-04T14:36:46.432882Z",
"structure_string": "Sr1 P2 Rh2\n1.0\n3.783005 0.000000 -1.205288\n-0.384013 3.763465 -1.205288\n0.002907 0.003219 6.548576\nSr P Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.640229 0.640229 0.280458 P\n0.359770 0.359770 0.719542 P\n0.750000 0.250000 0.500000 Rh\n0.250000 0.749999 0.500000 Rh\n",
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"elements": [
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"density": 6.327496244771871,
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"volume": 93.2627851055993,
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"formula_full": "Sr1 P2 Rh2",
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},
{
"id": "jvasp-119647",
"created_at": "2022-09-04T14:38:52.296507Z",
"updated_at": "2022-09-04T14:38:52.296533Z",
"structure_string": "Sr2 Pr2 Fe2 Ru2 O12\n1.0\n5.608173 0.000000 0.000000\n-0.000000 4.537703 3.205044\n0.000000 0.016191 9.610183\nSr Pr Fe Ru O\n2 2 2 2 12\ndirect\n0.719010 0.755246 0.749108 Sr\n0.280990 0.755246 0.249108 Sr\n0.199011 0.240046 0.748980 Pr\n0.800989 0.240046 0.248980 Pr\n0.258622 0.499995 0.999083 Fe\n0.741377 0.499995 0.499083 Fe\n0.255329 0.999530 0.499992 Ru\n0.744670 0.999530 -0.000008 Ru\n0.967524 0.755003 0.965250 O\n0.457485 0.250987 0.542518 O\n0.974496 0.182445 0.536760 O\n0.455275 0.839430 0.958294 O\n0.542514 0.250988 0.042518 O\n0.765306 0.311930 0.749728 O\n0.740122 0.665382 0.250284 O\n0.234694 0.311930 0.249728 O\n0.025503 0.182445 0.036760 O\n0.259877 0.665382 0.750283 O\n0.032475 0.755003 0.465251 O\n0.544725 0.839430 0.458295 O\n",
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"elements": [
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"density": 6.545583829362229,
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"volume": 244.27106016903159,
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"formula_full": "Sr2 Pr2 Fe2 Ru2 O12",
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{
"id": "jvasp-110164",
"created_at": "2022-09-04T14:38:49.956470Z",
"updated_at": "2022-09-04T14:38:49.956507Z",
"structure_string": "Sr1 Pr1 Fe1 Co1 O6\n1.0\n4.700855 0.025807 -2.658067\n-1.480945 4.458495 -2.666570\n-0.044066 -0.052686 5.388875\nSr Pr Fe Co O\n1 1 1 1 6\ndirect\n0.750453 0.750024 0.500285 Sr\n0.253990 0.254641 0.504513 Pr\n0.499432 0.000257 -0.000143 Fe\n0.000079 0.499879 -0.000017 Co\n0.270512 0.720807 -0.009814 O\n0.211495 0.209501 -0.040983 O\n0.718938 0.268388 0.988877 O\n0.805996 0.807866 0.057753 O\n0.271001 0.719079 0.501141 O\n0.718104 0.269562 0.498393 O\n",
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"volume": 111.76296205512375,
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"formula_full": "Sr1 Pr1 Fe1 Co1 O6",
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{
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"created_at": "2022-09-04T14:38:42.099541Z",
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"structure_string": "Sr2 Pr2 Al6 O14\n1.0\n7.921025 0.015328 0.000000\n0.008192 7.921036 0.000000\n0.000000 0.000000 5.231828\nSr Pr Al O\n2 2 6 14\ndirect\n0.160711 0.839288 0.490949 Sr\n0.839288 0.160713 0.490949 Sr\n0.662316 0.662316 0.509700 Pr\n0.337685 0.337685 0.509700 Pr\n0.357564 0.642436 0.039065 Al\n0.855635 0.855636 0.961379 Al\n0.642436 0.357564 0.039065 Al\n0.144365 0.144365 0.961379 Al\n0.500000 0.000000 0.999180 Al\n-0.000000 0.500000 0.999180 Al\n0.833907 0.418622 0.189408 O\n0.338808 0.091478 0.805085 O\n0.091478 0.338808 0.805085 O\n0.581379 0.166094 0.189408 O\n0.908522 0.661192 0.805085 O\n0.418622 0.833907 0.189408 O\n0.849218 0.849219 0.294031 O\n0.000000 0.000000 0.836617 O\n0.150782 0.150782 0.294031 O\n0.631941 0.368059 0.704544 O\n0.661192 0.908523 0.805085 O\n0.368059 0.631942 0.704544 O\n0.500000 0.500000 0.187720 O\n0.166094 0.581379 0.189408 O\n",
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{
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"created_at": "2022-09-04T14:38:47.741490Z",
"updated_at": "2022-09-04T14:38:47.741513Z",
"structure_string": "Sr1 Pr3 Fe4 O12\n1.0\n7.659663 -0.000000 0.000000\n0.000000 5.474863 0.004945\n-0.000000 -0.011676 5.412356\nSr Pr Fe O\n1 3 4 12\ndirect\n0.500000 0.496058 0.510387 Sr\n0.500000 0.004698 0.015033 Pr\n-0.000000 0.505266 0.485008 Pr\n-0.000000 0.000774 0.985904 Pr\n0.251888 0.498919 -0.000562 Fe\n0.747818 0.000727 0.500409 Fe\n0.748111 0.498919 -0.000562 Fe\n0.252181 0.000727 0.500409 Fe\n0.500000 0.954126 0.492626 O\n0.500000 0.559810 0.001894 O\n0.272163 0.257203 0.257744 O\n0.723176 0.229064 0.770352 O\n0.783937 0.737536 0.737132 O\n0.727837 0.257203 0.257744 O\n0.216063 0.737536 0.737132 O\n0.785208 0.763571 0.236057 O\n-0.000000 0.443922 -0.000697 O\n0.276824 0.229064 0.770352 O\n0.214791 0.763571 0.236057 O\n-0.000000 0.061292 0.507592 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.7726187819684025,
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"formula_full": "Sr1 Pr3 Fe4 O12",
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{
"id": "jvasp-107221",
"created_at": "2022-09-04T14:37:03.805659Z",
"updated_at": "2022-09-04T14:37:03.805691Z",
"structure_string": "Sr1 Pr3\n1.0\n5.324866 -0.000000 0.000000\n0.000000 5.324866 0.000000\n-0.000000 0.000000 5.324866\nSr Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n",
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}
]
}