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{
"id": "jvasp-119494",
"created_at": "2022-09-04T14:38:51.524012Z",
"updated_at": "2022-09-04T14:38:51.524034Z",
"structure_string": "Li1 Cu1 Ru2 Rh2 O8\n1.0\n5.329562 0.010721 -2.959745\n-1.498484 4.753161 -3.510902\n-0.032176 -0.010721 6.096169\nLi Cu Ru Rh O\n1 1 2 2 8\ndirect\n0.379459 0.379458 0.000000 Li\n0.132460 0.632460 0.500000 Cu\n0.749838 0.026299 0.276461 Ru\n0.749838 0.473377 0.723540 Ru\n0.752175 0.999191 0.752985 Rh\n0.246207 0.999191 0.247016 Rh\n0.988218 0.767327 0.220891 O\n0.546437 0.767328 0.779111 O\n0.977764 0.735785 0.758023 O\n0.977764 0.219742 0.241979 O\n0.476760 0.230258 0.246502 O\n0.983757 0.230258 0.753499 O\n0.519660 0.253983 0.734323 O\n0.519661 0.785337 0.265678 O\n",
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{
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"updated_at": "2022-09-04T14:38:51.522220Z",
"structure_string": "Li3 Fe3 O8\n1.0\n4.949538 0.045802 2.981427\n1.706825 4.646157 2.981427\n0.064978 0.045802 5.777769\nLi Fe O\n3 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.379216 0.379216 0.379216 Li\n0.620784 0.620784 0.620785 Li\n-0.000001 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.249196 0.249196 0.789809 O\n0.789809 0.249196 0.249197 O\n0.249195 0.789809 0.249197 O\n0.761705 0.761705 0.761706 O\n0.750804 0.750804 0.210192 O\n0.210191 0.750804 0.750805 O\n0.750804 0.210191 0.750805 O\n0.238295 0.238295 0.238295 O\n",
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{
"id": "jvasp-119318",
"created_at": "2022-09-04T14:38:51.374761Z",
"updated_at": "2022-09-04T14:38:51.374784Z",
"structure_string": "Li2 Co1 Ni3 O8\n1.0\n4.931813 0.003114 2.806983\n1.633624 4.653393 2.806983\n0.004391 0.003114 5.674673\nLi Co Ni O\n2 1 3 8\ndirect\n0.876332 0.876331 0.876333 Li\n0.123667 0.123667 0.123667 Li\n0.500000 0.499999 0.500000 Co\n0.500000 -0.000001 0.500000 Ni\n-0.000000 0.499999 0.500000 Ni\n0.500000 0.499999 0.000000 Ni\n0.291308 0.734920 0.734922 O\n0.734921 0.291307 0.734922 O\n0.262931 0.262931 0.262931 O\n0.734921 0.734920 0.291309 O\n0.265078 0.265077 0.708691 O\n0.737068 0.737067 0.737069 O\n0.265078 0.708690 0.265078 O\n0.708691 0.265077 0.265078 O\n",
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"formula_full": "Li2 Co1 Ni3 O8",
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{
"id": "jvasp-119143",
"created_at": "2022-09-04T14:38:51.324887Z",
"updated_at": "2022-09-04T14:38:51.324914Z",
"structure_string": "Sr3 Nd1 Mn2 O8\n1.0\n6.753506 -0.037717 0.000000\n-4.527853 5.010968 0.000000\n-0.000000 -0.000000 5.448675\nSr Nd Mn O\n3 1 2 8\ndirect\n0.643930 0.356070 -0.000000 Sr\n0.358560 0.641440 -0.000000 Sr\n0.855503 0.144497 0.500000 Sr\n0.137552 0.862448 0.500000 Nd\n0.498644 0.501356 0.500000 Mn\n0.998403 0.001596 -0.000000 Mn\n0.843120 0.156880 -0.000000 O\n0.331291 0.668710 0.500000 O\n0.658541 0.341459 0.500000 O\n0.160139 0.839862 -0.000000 O\n0.249565 0.242406 0.255572 O\n0.757595 0.750435 0.744429 O\n0.249565 0.242406 0.744429 O\n0.757595 0.750435 0.255572 O\n",
"nsites": 14,
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{
"id": "jvasp-58135",
"created_at": "2022-09-04T14:37:38.495155Z",
"updated_at": "2022-09-04T14:37:38.495188Z",
"structure_string": "Ba1 Ti4 Zn1 O8\n1.0\n2.703170 -4.682027 0.000000\n2.703170 4.682027 0.000000\n0.000000 -0.000000 7.446853\nBa Ti Zn O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.746223 Ti\n0.666667 0.333333 0.746223 Ti\n0.333333 0.666667 0.253776 Ti\n0.666667 0.333333 0.253776 Ti\n0.000000 0.000000 0.500000 Zn\n0.683182 -0.000000 0.674386 O\n-0.000000 0.683182 0.674386 O\n0.316819 0.316819 0.674386 O\n0.316819 -0.000000 0.325614 O\n0.683181 0.683181 0.325614 O\n-0.000000 0.316819 0.325614 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
"id": "jvasp-58105",
"created_at": "2022-09-04T14:37:34.146460Z",
"updated_at": "2022-09-04T14:37:34.146486Z",
"structure_string": "Al2 Sn4 O8\n1.0\n5.666800 0.021237 3.154210\n1.863987 5.351507 3.154210\n0.029768 0.021237 6.485428\nAl Sn O\n2 4 8\ndirect\n0.623382 0.623383 0.623381 Al\n0.376618 0.376619 0.376618 Al\n0.000000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.282925 0.736378 0.736376 O\n0.263624 0.263624 0.717075 O\n0.263624 0.717076 0.263623 O\n0.260819 0.260820 0.260819 O\n0.736377 0.736378 0.282925 O\n0.717075 0.263624 0.263623 O\n0.736377 0.282926 0.736376 O\n0.739181 0.739182 0.739180 O\n",
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],
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"density_atomic": 0.07155100295361028,
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"formula_full": "Al2 Sn4 O8",
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{
"id": "jvasp-58322",
"created_at": "2022-09-04T14:37:34.308663Z",
"updated_at": "2022-09-04T14:37:34.308690Z",
"structure_string": "K2 Li2 S2 O8\n1.0\n2.557026 -4.428899 0.000000\n2.557026 4.428899 -0.000000\n0.000000 0.000000 8.705875\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.989774 K\n0.000000 0.000000 0.489774 K\n0.333334 0.666668 0.803264 Li\n0.666668 0.333334 0.303264 Li\n0.333334 0.666668 0.192357 S\n0.666668 0.333334 0.692357 S\n0.337554 0.943317 0.247563 O\n0.943317 0.605765 0.747563 O\n0.333334 0.666668 0.021913 O\n0.605765 0.662449 0.247563 O\n0.666668 0.333334 0.521913 O\n0.056684 0.394237 0.247563 O\n0.662448 0.056684 0.747563 O\n0.394237 0.337553 0.747563 O\n",
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{
"id": "jvasp-59636",
"created_at": "2022-09-04T14:37:34.325920Z",
"updated_at": "2022-09-04T14:37:34.325944Z",
"structure_string": "Yb4 Mn2 S8\n1.0\n6.624928 -0.000000 3.824904\n2.208310 6.246042 3.824904\n-0.000000 -0.000000 7.649808\nYb Mn S\n4 2 8\ndirect\n0.500000 0.500000 -0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.875000 0.875000 0.874999 Mn\n0.125000 0.125000 0.125000 Mn\n0.756727 0.756726 0.756726 S\n0.243274 0.243274 0.770179 S\n0.243274 0.770179 0.243273 S\n0.770180 0.243274 0.243273 S\n0.756726 0.229820 0.756726 S\n0.229821 0.756726 0.756726 S\n0.243274 0.243274 0.243274 S\n0.756727 0.756726 0.229820 S\n",
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],
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{
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"created_at": "2022-09-04T14:37:34.393679Z",
"updated_at": "2022-09-04T14:37:34.393705Z",
"structure_string": "Yb4 Cd2 Se8\n1.0\n7.204595 0.000000 4.159575\n2.401531 6.792558 4.159575\n0.000000 0.000000 8.319150\nYb Cd Se\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.874999 0.875000 0.874999 Cd\n0.125000 0.125000 0.125000 Cd\n0.745108 0.745109 0.745108 Se\n0.254891 0.254892 0.735326 Se\n0.254891 0.735327 0.254891 Se\n0.735326 0.254892 0.254891 Se\n0.745108 0.264673 0.745108 Se\n0.264673 0.745109 0.745108 Se\n0.254891 0.254892 0.254891 Se\n0.745108 0.745109 0.264673 Se\n",
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{
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"structure_string": "U2 Ni8 P4\n1.0\n7.042908 -0.000000 0.000000\n-0.000000 7.042908 0.000000\n0.000000 0.000000 3.683905\nU Ni P\n2 8 4\ndirect\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.499999 U\n0.589598 0.160714 0.499999 Ni\n0.410402 0.839287 0.499999 Ni\n0.160714 0.589598 0.499999 Ni\n0.839287 0.410402 0.499999 Ni\n0.089598 0.339286 0.000000 Ni\n0.910402 0.660714 0.000000 Ni\n0.660714 0.910402 0.000000 Ni\n0.339286 0.089598 0.000000 Ni\n0.218329 0.781672 0.000000 P\n0.281671 0.281671 0.499999 P\n0.718329 0.718329 0.499999 P\n0.781672 0.218329 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:37:36.600138Z",
"updated_at": "2022-09-04T14:37:36.600159Z",
"structure_string": "Ba1 Zn1 Cu4 O8\n1.0\n2.651112 -4.591859 -0.000000\n2.651112 4.591859 -0.000000\n0.000000 0.000000 7.110091\nBa Zn Cu O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.735479 Cu\n0.666667 0.333333 0.735479 Cu\n0.333333 0.666667 0.264521 Cu\n0.666667 0.333333 0.264521 Cu\n0.311474 0.311474 0.678010 O\n0.688526 -0.000000 0.678010 O\n-0.000000 0.688526 0.678010 O\n0.688525 0.688525 0.321990 O\n-0.000000 0.311474 0.321990 O\n0.311474 -0.000000 0.321990 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:36.621957Z",
"updated_at": "2022-09-04T14:37:36.621972Z",
"structure_string": "Rb3 Na1 Be2 F8\n1.0\n2.877637 -4.984212 -0.000000\n2.877637 4.984212 0.000000\n-0.000000 -0.000000 7.479278\nRb Na Be F\n3 1 2 8\ndirect\n0.333334 0.666668 0.826003 Rb\n0.000000 0.000000 0.500000 Rb\n0.666668 0.333334 0.173997 Rb\n0.000000 0.000000 0.000000 Na\n0.333334 0.666668 0.261726 Be\n0.666668 0.333334 0.738275 Be\n0.370004 0.185002 0.816498 F\n0.629997 0.814999 0.183502 F\n0.814999 0.629997 0.816498 F\n0.814999 0.185002 0.816498 F\n0.333334 0.666668 0.466717 F\n0.666668 0.333334 0.533283 F\n0.185002 0.370004 0.183502 F\n0.185002 0.814999 0.183502 F\n",
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]
}