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"id": "jvasp-86082",
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"updated_at": "2022-09-04T14:36:13.810876Z",
"structure_string": "Ce4 P8\n1.0\n3.999151 0.000000 -0.507796\n0.000000 6.424500 0.000000\n0.075760 0.000000 9.683119\nCe P\n4 8\ndirect\n0.216080 0.315075 0.138303 Ce\n0.783919 0.684925 0.861696 Ce\n0.283920 0.815075 0.361696 Ce\n0.716080 0.184925 0.638303 Ce\n0.209056 0.855238 0.672309 P\n0.790943 0.144762 0.327690 P\n0.149284 0.368621 0.449370 P\n0.350715 0.868622 0.050629 P\n0.709056 0.644762 0.172309 P\n0.649284 0.131379 0.949370 P\n0.850715 0.631379 0.550629 P\n0.290943 0.355238 0.827691 P\n",
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{
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{
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"created_at": "2022-09-04T14:35:42.568740Z",
"updated_at": "2022-09-04T14:35:42.568767Z",
"structure_string": "Nd4 Al4 Pt4\n1.0\n4.485927 0.000000 0.000000\n0.000000 7.187765 0.000000\n0.000000 0.000000 7.871169\nNd Al Pt\n4 4 4\ndirect\n0.750001 0.472253 0.817647 Nd\n0.250000 0.027746 0.317647 Nd\n0.750001 0.972253 0.682353 Nd\n0.250000 0.527746 0.182353 Nd\n0.750001 0.852877 0.068321 Al\n0.250000 0.647122 0.568321 Al\n0.750001 0.352877 0.431679 Al\n0.250000 0.147122 0.931679 Al\n0.750001 0.716199 0.390441 Pt\n0.750001 0.216199 0.109559 Pt\n0.250000 0.283800 0.609559 Pt\n0.250000 0.783800 0.890441 Pt\n",
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"chemical_system": "Al-Nd-Pt",
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"density_atomic": 0.047282010737907644,
"volume": 253.79631307386808,
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"formula_full": "Nd4 Al4 Pt4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-86086",
"created_at": "2022-09-04T14:35:47.390437Z",
"updated_at": "2022-09-04T14:35:47.390465Z",
"structure_string": "Rb1 In6 Au4\n1.0\n8.270572 -0.000000 -0.000000\n-4.135286 7.162525 -0.000000\n-0.000000 0.000000 4.560261\nRb In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.535262 0.464738 0.000000 In\n0.196816 0.803184 0.500000 In\n0.535262 0.070524 0.000000 In\n0.196816 0.393632 0.500000 In\n0.929476 0.464738 0.000000 In\n0.606368 0.803184 0.500000 In\n0.796064 0.203936 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.796064 0.592129 0.500000 Au\n0.407871 0.203936 0.500000 Au\n",
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"elements": [
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"In",
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"chemical_system": "Au-In-Rb",
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"density_atomic": 0.040719392302058975,
"volume": 270.14155610185236,
"volume_molar": 14.789367963370836,
"formula_full": "Rb1 In6 Au4",
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{
"id": "jvasp-86087",
"created_at": "2022-09-04T14:35:54.164338Z",
"updated_at": "2022-09-04T14:35:54.164359Z",
"structure_string": "Ca9 N6\n1.0\n3.776797 0.000000 -0.000000\n-1.888399 7.324701 -1.359168\n-0.000000 0.013990 9.306880\nCa N\n9 6\ndirect\n0.126873 0.253745 0.278625 Ca\n0.790467 0.580933 0.378616 Ca\n0.827811 0.655622 0.034966 Ca\n0.209533 0.419067 0.621383 Ca\n0.172189 0.344378 0.965033 Ca\n0.873128 0.746255 0.721375 Ca\n0.469622 0.939243 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530379 0.060757 0.659551 Ca\n0.359073 0.718145 0.512241 N\n0.030691 0.061382 0.811902 N\n0.969310 0.938617 0.188097 N\n0.317708 0.635415 0.869376 N\n0.640927 0.281855 0.487759 N\n0.682293 0.364585 0.130624 N\n",
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{
"id": "jvasp-86089",
"created_at": "2022-09-04T14:36:00.923030Z",
"updated_at": "2022-09-04T14:36:00.923059Z",
"structure_string": "Y4 Ru8\n1.0\n5.259585 0.000000 0.000000\n-2.629793 4.554935 -0.000000\n0.000000 -0.000000 8.931609\nY Ru\n4 8\ndirect\n0.333334 0.666668 0.432857 Y\n0.666668 0.333333 0.567143 Y\n0.666668 0.333333 0.932857 Y\n0.333334 0.666668 0.067143 Y\n0.170523 0.341046 0.750000 Ru\n0.170524 0.829478 0.750000 Ru\n0.341046 0.170523 0.250000 Ru\n0.829479 0.658955 0.250000 Ru\n0.658956 0.829478 0.750000 Ru\n0.000000 0.000000 0.000000 Ru\n0.829478 0.170523 0.250000 Ru\n0.000000 0.000000 0.500000 Ru\n",
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"elements": [
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"density": 9.034562678961937,
"density_atomic": 0.0560812753487674,
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"formula_full": "Y4 Ru8",
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"spacegroup": 194
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{
"id": "jvasp-8609",
"created_at": "2022-09-04T14:37:07.295257Z",
"updated_at": "2022-09-04T14:37:07.295278Z",
"structure_string": "Sr2 Co1 Cl2 O2\n1.0\n3.783093 0.000000 -0.981297\n-0.254539 3.774519 -0.981297\n0.198036 0.211841 8.546393\nSr Co Cl O\n2 1 2 2\ndirect\n0.608693 0.608693 0.217385 Sr\n0.391308 0.391307 0.782614 Sr\n0.000000 0.000000 0.000000 Co\n0.186360 0.186362 0.372721 Cl\n0.813639 0.813638 0.627278 Cl\n0.500000 0.000000 -0.000000 O\n0.999998 0.500000 -0.000001 O\n",
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"Cl",
"O"
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"density": 4.528208889939917,
"density_atomic": 0.05662979553063882,
"volume": 123.60984062202273,
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"formula_full": "Sr2 Co1 Cl2 O2",
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{
"id": "jvasp-86090",
"created_at": "2022-09-04T14:36:07.201224Z",
"updated_at": "2022-09-04T14:36:07.201267Z",
"structure_string": "U12 Mn2\n1.0\n5.021917 0.000000 1.808300\n2.510958 7.184908 0.904150\n0.076802 0.000000 7.664163\nU Mn\n12 2\ndirect\n0.098642 0.683660 0.119058 U\n0.901358 0.316340 0.880942 U\n0.093670 0.312659 0.500000 U\n0.593671 0.500000 0.312658 U\n0.598642 0.119058 0.683659 U\n0.282301 0.316340 0.119058 U\n0.782301 0.119058 0.316340 U\n0.906330 0.687342 0.500000 U\n0.401358 0.880943 0.316340 U\n0.217699 0.880943 0.683659 U\n0.406330 0.500000 0.687341 U\n0.717700 0.683660 0.880942 U\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n",
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{
"id": "jvasp-86091",
"created_at": "2022-09-04T14:36:12.321303Z",
"updated_at": "2022-09-04T14:36:12.321337Z",
"structure_string": "Er6 Co2 Si6\n1.0\n4.086054 -0.000000 0.674642\n2.014727 5.174745 0.508726\n0.008188 -0.024594 12.661562\nEr Co Si\n6 2 6\ndirect\n0.747376 0.734088 0.771162 Er\n0.399963 0.280909 0.919166 Er\n0.600038 0.719091 0.080834 Er\n0.475516 0.669359 0.379610 Er\n0.252624 0.265912 0.228838 Er\n0.524484 0.330641 0.620390 Er\n0.752591 0.078406 0.416410 Co\n0.247409 0.921594 0.583590 Co\n0.051364 0.139025 0.758249 Si\n0.139637 0.265040 0.455687 Si\n0.860364 0.734960 0.544313 Si\n0.948636 0.860975 0.241751 Si\n0.882664 0.158844 0.075827 Si\n0.117336 0.841156 0.924173 Si\n",
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"formula_full": "Er6 Co2 Si6",
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{
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"created_at": "2022-09-04T14:36:17.051644Z",
"updated_at": "2022-09-04T14:36:17.051676Z",
"structure_string": "Nd1 Mg2 Ni9\n1.0\n4.660954 -0.007224 6.956523\n2.109700 4.156164 6.956523\n-0.011789 -0.007224 8.373622\nNd Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Nd\n0.855661 0.855663 0.855662 Mg\n0.144337 0.144338 0.144337 Mg\n0.917544 0.412977 0.412975 Ni\n0.587024 0.587024 0.082455 Ni\n0.666485 0.666487 0.666485 Ni\n0.412975 0.917545 0.412976 Ni\n0.587023 0.082456 0.587024 Ni\n0.333514 0.333514 0.333514 Ni\n0.499999 0.500001 0.500000 Ni\n0.412975 0.412977 0.917545 Ni\n0.082455 0.587024 0.587024 Ni\n",
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{
"id": "jvasp-86093",
"created_at": "2022-09-04T14:35:40.779406Z",
"updated_at": "2022-09-04T14:35:40.779433Z",
"structure_string": "Rb1 La1 Si1 C4 N8\n1.0\n5.935384 0.000037 3.361248\n2.967867 5.977004 1.680417\n0.022499 -0.000249 6.881829\nRb La Si C N\n1 1 1 4 8\ndirect\n0.000011 -0.000001 0.000000 Rb\n0.750002 0.500001 0.500000 La\n0.249997 0.500002 0.499996 Si\n0.558462 0.082515 0.544098 C\n0.897439 0.544090 0.917496 C\n0.359024 0.455908 0.082507 C\n0.185076 0.917486 0.455904 C\n0.517059 0.389767 0.898106 N\n0.994564 0.469745 0.722513 N\n0.282906 0.722516 0.530278 N\n0.535702 0.277482 0.469717 N\n0.093197 0.101866 0.389735 N\n0.584799 0.898135 0.610268 N\n0.186820 0.530261 0.277494 N\n0.804944 0.610226 0.101893 N\n",
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],
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"density_atomic": 0.06155469405796815,
"volume": 243.68572096019176,
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"formula_full": "Rb1 La1 Si1 C4 N8",
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{
"id": "jvasp-86094",
"created_at": "2022-09-04T14:35:46.751611Z",
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"structure_string": "Nb2 Br10\n1.0\n6.503446 -0.005419 -0.099649\n-3.161847 5.921255 -2.290216\n0.001970 -0.002218 9.660316\nNb Br\n2 10\ndirect\n0.107612 0.222796 0.723868 Nb\n0.892389 0.777204 0.276132 Nb\n0.875366 0.385279 0.648053 Br\n0.249079 0.188124 0.454467 Br\n0.124635 0.614721 0.351947 Br\n0.541562 0.412076 0.164761 Br\n0.458438 0.587924 0.835239 Br\n0.688396 0.995974 0.251706 Br\n0.750922 0.811876 0.545532 Br\n0.076869 0.813455 0.060857 Br\n0.923131 0.186546 0.939143 Br\n0.311604 0.004026 0.748294 Br\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Br-Nb",
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"volume": 371.8068111541443,
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"formula_full": "Nb2 Br10",
"formula_reduced": "NbBr5",
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}
]
}