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{
"id": "jvasp-11393",
"created_at": "2022-09-04T14:38:31.880254Z",
"updated_at": "2022-09-04T14:38:31.880279Z",
"structure_string": "K6 Au2 Se4\n1.0\n7.367167 0.020030 2.950928\n2.004017 7.089391 2.950928\n0.026403 0.020030 7.936147\nK Au Se\n6 2 4\ndirect\n0.958660 0.541340 0.250000 K\n0.250000 0.958659 0.541341 K\n0.541340 0.250000 0.958660 K\n0.041340 0.458659 0.750001 K\n0.750000 0.041340 0.458660 K\n0.458660 0.750000 0.041341 K\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.635149 0.635149 0.635150 Se\n0.864851 0.864851 0.864852 Se\n0.135149 0.135149 0.135149 Se\n0.364851 0.364851 0.364851 Se\n",
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{
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"structure_string": "Sc2 Ta2 O8\n1.0\n0.000000 4.828144 -0.008524\n5.732014 0.000000 0.000000\n0.000000 -0.124029 -5.143084\nSc Ta O\n2 2 8\ndirect\n0.499999 0.323611 0.749999 Sc\n0.500000 0.676388 0.249999 Sc\n-0.000000 0.822327 0.749999 Ta\n-0.000000 0.177672 0.250000 Ta\n0.781559 0.106964 0.565651 O\n0.735588 0.615304 0.593683 O\n0.218440 0.106964 0.934347 O\n0.264411 0.384696 0.406315 O\n0.264411 0.615304 0.906315 O\n0.781559 0.893035 0.065652 O\n0.735588 0.384696 0.093684 O\n0.218440 0.893035 0.434347 O\n",
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{
"id": "jvasp-57142",
"created_at": "2022-09-04T14:38:34.904723Z",
"updated_at": "2022-09-04T14:38:34.904730Z",
"structure_string": "Dy4 S4 Cl4\n1.0\n0.000000 6.583382 -0.026839\n6.676052 0.000000 0.000000\n0.000000 -1.242401 -6.654637\nDy S Cl\n4 4 4\ndirect\n0.688879 0.544922 0.793528 Dy\n0.311121 0.455078 0.206473 Dy\n0.688879 0.955078 0.293528 Dy\n0.311121 0.044922 0.706473 Dy\n0.566022 0.240729 0.011005 S\n0.566022 0.259271 0.511006 S\n0.433978 0.759271 0.988995 S\n0.433978 0.740728 0.488995 S\n0.067337 0.344450 0.828662 Cl\n0.932663 0.844450 0.671339 Cl\n0.932663 0.655550 0.171339 Cl\n0.067337 0.155550 0.328661 Cl\n",
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"volume": 292.70056618758923,
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"formula_full": "Dy4 S4 Cl4",
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"formula_anonymous": "ABC",
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"spacegroup": 14
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{
"id": "jvasp-20921",
"created_at": "2022-09-04T14:38:34.905712Z",
"updated_at": "2022-09-04T14:38:34.905739Z",
"structure_string": "Rb2 Fe4 S6\n1.0\n5.160601 0.000000 0.000000\n-0.000000 6.947192 -1.399395\n0.000000 -0.012196 7.086722\nRb Fe S\n2 4 6\ndirect\n0.250000 0.327819 0.672180 Rb\n0.750000 0.672180 0.327820 Rb\n0.000000 0.857818 0.857819 Fe\n0.000000 0.142181 0.142181 Fe\n0.500000 0.142181 0.142181 Fe\n0.500000 0.857818 0.857819 Fe\n0.750000 0.167930 0.383806 S\n0.250000 0.832069 0.616194 S\n0.250000 0.383806 0.167931 S\n0.750000 0.616193 0.832070 S\n0.750000 0.110774 0.889225 S\n0.250000 0.889225 0.110775 S\n",
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{
"id": "jvasp-120558",
"created_at": "2022-09-04T14:38:45.659604Z",
"updated_at": "2022-09-04T14:38:45.659629Z",
"structure_string": "Zn4 Ag4 N4\n1.0\n4.203041 0.000000 -3.498257\n0.000000 6.414515 0.000000\n-0.001006 -0.000000 6.997465\nZn Ag N\n4 4 4\ndirect\n0.500009 0.388560 0.819595 Zn\n0.499989 0.888560 0.680403 Zn\n0.499990 0.611441 0.180404 Zn\n0.500010 0.111441 0.319595 Zn\n0.000014 0.249997 0.827002 Ag\n-0.000016 0.749998 0.672996 Ag\n-0.000015 0.750003 0.172997 Ag\n0.000015 0.250003 0.327003 Ag\n0.499983 0.687674 0.886832 N\n0.500016 0.187673 0.613166 N\n0.500016 0.312327 0.113166 N\n0.499983 0.812328 0.386833 N\n",
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"spacegroup": 64
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{
"id": "jvasp-118955",
"created_at": "2022-09-04T14:38:30.838576Z",
"updated_at": "2022-09-04T14:38:30.838595Z",
"structure_string": "Tl2 Bi2 F8\n1.0\n5.541511 -0.022354 -4.377342\n-1.313937 5.383531 -4.377342\n0.017627 0.022354 7.061809\nTl Bi F\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Tl\n0.500000 0.500000 0.000000 Bi\n0.250000 0.750000 0.500000 Bi\n0.375000 0.423232 0.548232 F\n0.875000 0.826768 0.451768 F\n0.576768 0.125000 0.951768 F\n0.875000 0.423233 0.048233 F\n0.173232 0.625000 0.048232 F\n0.375000 0.826767 0.951768 F\n0.173232 0.125000 0.548232 F\n0.576768 0.625000 0.451768 F\n",
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"volume": 211.55472563187556,
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"formula_full": "Tl2 Bi2 F8",
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"spacegroup": 141
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{
"id": "jvasp-20839",
"created_at": "2022-09-04T14:38:34.920329Z",
"updated_at": "2022-09-04T14:38:34.920356Z",
"structure_string": "Li4 C2 O6\n1.0\n4.556439 0.001817 1.749069\n1.819666 4.177315 1.749069\n0.024026 0.015747 6.106865\nLi C O\n4 2 6\ndirect\n0.639862 0.751450 0.167229 Li\n0.248551 0.360139 0.332771 Li\n0.360140 0.248551 0.832771 Li\n0.751451 0.639861 0.667229 Li\n0.068757 0.931244 0.750000 C\n0.931245 0.068756 0.250000 C\n0.325753 0.674248 0.750000 O\n0.674249 0.325752 0.250000 O\n0.084553 0.209341 0.688816 O\n0.790661 0.915448 0.811184 O\n0.915449 0.790659 0.311184 O\n0.209341 0.084552 0.188816 O\n",
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"formula_full": "Li4 C2 O6",
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"spacegroup": 15
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{
"id": "jvasp-119115",
"created_at": "2022-09-04T14:38:34.930457Z",
"updated_at": "2022-09-04T14:38:34.930483Z",
"structure_string": "Zr4 Mn4 Ni4\n1.0\n4.982618 0.006124 0.000000\n-2.621228 4.237415 0.000000\n0.000000 -0.000000 7.970523\nZr Mn Ni\n4 4 4\ndirect\n0.334638 0.665360 0.189846 Zr\n0.665056 0.334943 0.310583 Zr\n0.665056 0.334943 0.689416 Zr\n0.334638 0.665360 0.810154 Zr\n0.006544 0.993454 0.241172 Mn\n0.006544 0.993454 0.758828 Mn\n0.824347 0.668849 -0.000000 Mn\n0.331149 0.175651 -0.000000 Mn\n0.824033 0.175966 -0.000000 Ni\n0.168657 0.329704 0.500000 Ni\n0.670295 0.831341 0.500000 Ni\n0.167607 0.832391 0.500000 Ni\n",
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{
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"created_at": "2022-09-04T14:38:34.939180Z",
"updated_at": "2022-09-04T14:38:34.939194Z",
"structure_string": "Sb1 I3 Cl8\n1.0\n7.067991 0.232158 -0.211019\n-1.168214 6.915764 0.413357\n-0.728862 -0.294095 7.643235\nSb I Cl\n1 3 8\ndirect\n0.000000 0.500000 0.500001 Sb\n0.000000 0.000000 0.000000 I\n0.655767 0.769236 0.823311 I\n0.344234 0.230764 0.176690 I\n0.718928 0.289089 0.569050 Cl\n0.281073 0.710912 0.430951 Cl\n0.497428 0.753149 0.081922 Cl\n0.502573 0.246852 0.918079 Cl\n0.824562 0.785281 0.503893 Cl\n0.175439 0.214720 0.496108 Cl\n0.889082 0.463847 0.195259 Cl\n0.110919 0.536154 0.804742 Cl\n",
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{
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"created_at": "2022-09-04T14:38:31.815171Z",
"updated_at": "2022-09-04T14:38:31.815196Z",
"structure_string": "Ni4 As4 Se4\n1.0\n5.898890 -0.000000 -0.000000\n0.000000 5.898890 -0.000000\n-0.000000 -0.000000 5.898890\nNi As Se\n4 4 4\ndirect\n0.003913 0.003913 0.003913 Ni\n0.496087 0.996087 0.503913 Ni\n0.503913 0.496087 0.996087 Ni\n0.996087 0.503913 0.496087 Ni\n0.622782 0.622782 0.622782 As\n0.877218 0.377218 0.122782 As\n0.122782 0.877218 0.377218 As\n0.377218 0.122782 0.877218 As\n0.378516 0.378516 0.378516 Se\n0.121484 0.621484 0.878516 Se\n0.878516 0.121484 0.621484 Se\n0.621484 0.878516 0.121484 Se\n",
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{
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"created_at": "2022-09-04T14:38:34.979788Z",
"updated_at": "2022-09-04T14:38:34.979815Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.353544 -0.000002 0.000005\n-1.676773 2.904235 0.000009\n0.000061 0.000149 37.882285\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333357 0.666717 0.707742 Te\n0.333356 0.666709 0.607242 Te\n0.333316 0.666627 0.093934 Mo\n0.333318 0.666636 0.469611 W\n0.666679 0.333361 0.281809 W\n0.666688 0.333380 0.657595 W\n0.666641 0.333281 0.050206 Se\n0.666639 0.333280 0.425396 Se\n0.666649 0.333297 0.137878 Se\n0.666647 0.333293 0.513761 Se\n0.333359 0.666716 0.322066 S\n0.333348 0.666701 0.241510 S\n",
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}