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{
"id": "jvasp-43380",
"created_at": "2022-09-04T14:37:35.690797Z",
"updated_at": "2022-09-04T14:37:35.690818Z",
"structure_string": "Al4 V4 O12\n1.0\n5.004148 -0.000000 0.000000\n-0.000000 5.187186 0.000000\n0.000000 0.000000 6.966080\nAl V O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.992419 0.941353 0.750000 V\n0.507581 0.441353 0.750000 V\n0.492419 0.558648 0.250000 V\n0.007581 0.058648 0.250000 V\n0.832313 0.825943 0.056824 O\n0.667688 0.325943 0.056824 O\n0.667688 0.325943 0.443176 O\n0.618021 0.065674 0.750000 O\n0.381979 0.934326 0.250000 O\n0.167688 0.174058 0.556824 O\n0.332313 0.674058 0.943176 O\n0.167688 0.174058 0.943176 O\n0.832313 0.825943 0.443176 O\n0.118021 0.434326 0.250000 O\n0.332313 0.674058 0.556824 O\n0.881979 0.565675 0.750000 O\n",
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{
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"structure_string": "Mn3 N2\n1.0\n-1.482526 -2.567791 -0.000427\n-1.482509 2.567781 -0.000000\n0.000879 0.000508 -5.937878\nMn N\n3 2\ndirect\n0.333249 0.666625 0.675760 Mn\n0.666752 0.333377 0.324241 Mn\n0.000000 0.000000 0.000000 Mn\n0.333416 0.666709 0.208435 N\n0.666585 0.333294 0.791566 N\n",
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{
"id": "jvasp-119725",
"created_at": "2022-09-04T14:38:50.465405Z",
"updated_at": "2022-09-04T14:38:50.465431Z",
"structure_string": "Li7 Fe1 O5 F1\n1.0\n4.761097 -0.015977 -2.463770\n-2.759799 4.663778 -0.045167\n0.071315 0.050203 5.659814\nLi Fe O F\n7 1 5 1\ndirect\n0.525223 0.117854 0.177102 Li\n0.896726 0.768268 0.387252 Li\n0.737243 0.486312 0.686735 Li\n0.195802 0.470001 0.319421 Li\n0.129697 0.222806 0.658560 Li\n0.441182 0.931738 0.643073 Li\n0.308271 0.639868 0.970251 Li\n0.943125 0.952849 0.990227 Fe\n0.875709 0.074566 0.252772 O\n0.890199 0.231184 0.817358 O\n0.494785 0.614743 0.752452 O\n0.177795 0.809074 0.246406 O\n0.133554 0.896918 0.789890 O\n0.530382 0.441705 0.293659 F\n",
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{
"id": "jvasp-116767",
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"updated_at": "2022-09-04T14:38:50.398456Z",
"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.613820 -0.086445 -1.197528\n-0.518882 5.897410 -1.668871\n0.113282 -0.194800 6.598385\nLi Nb V O\n6 2 4 12\ndirect\n0.831218 0.840632 0.321835 Li\n0.335451 0.826033 0.344834 Li\n0.003066 0.490587 0.001007 Li\n0.494494 0.520657 0.985958 Li\n0.163601 0.176080 0.665660 Li\n0.672170 0.146012 0.680703 Li\n0.815010 0.341273 0.343428 Nb\n0.351657 0.325392 0.323236 Nb\n0.473546 0.006005 0.008611 V\n0.142955 0.688569 0.688738 V\n0.023707 0.978096 0.977927 V\n0.693124 0.660661 0.658053 V\n0.073873 0.087893 0.318170 O\n0.758914 0.216784 0.004870 O\n0.243450 0.249128 -0.016350 O\n0.923216 0.417537 0.683016 O\n0.407751 0.449883 0.661796 O\n0.915588 0.922371 0.661200 O\n0.423400 0.893683 0.684624 O\n0.251076 0.744293 0.005465 O\n0.743270 0.772980 0.982040 O\n0.092796 0.578775 0.348497 O\n0.583728 0.604547 0.327150 O\n0.582938 0.062122 0.339519 O\n",
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{
"id": "jvasp-11721",
"created_at": "2022-09-04T14:38:11.565436Z",
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"structure_string": "V2 B2 O6\n1.0\n4.211110 -0.003558 3.595796\n1.655810 3.871919 3.595796\n-0.005395 -0.003558 5.537434\nV B O\n2 2 6\ndirect\n0.500000 0.499999 0.500001 V\n0.000000 0.000000 0.000000 V\n0.749999 0.749999 0.750001 B\n0.250000 0.250000 0.250000 B\n0.451385 0.048613 0.750001 O\n0.750000 0.451386 0.048615 O\n0.951386 0.249999 0.548615 O\n0.548614 0.951386 0.250001 O\n0.249999 0.548613 0.951387 O\n0.048614 0.750000 0.451387 O\n",
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{
"id": "jvasp-48139",
"created_at": "2022-09-04T14:36:56.067166Z",
"updated_at": "2022-09-04T14:36:56.067188Z",
"structure_string": "Li4 Ni4 C4 O16\n1.0\n0.000000 3.057665 0.009619\n9.164823 0.000000 0.000000\n0.000000 -2.647047 -9.044237\nLi Ni C O\n4 4 4 16\ndirect\n0.408082 0.602113 0.184367 Li\n0.591919 0.102113 0.315633 Li\n0.408082 0.897887 0.684368 Li\n0.591918 0.397887 0.815633 Li\n0.782887 0.881129 0.059559 Ni\n0.217114 0.381130 0.440441 Ni\n0.782887 0.618870 0.559560 Ni\n0.217114 0.118870 0.940441 Ni\n0.065847 0.661128 0.866302 C\n0.934154 0.161128 0.633699 C\n0.065847 0.838872 0.366302 C\n0.934154 0.338872 0.133698 C\n0.147396 0.527351 0.869352 O\n0.096606 0.233208 0.757775 O\n0.903395 0.733208 0.742225 O\n0.852605 0.027351 0.630648 O\n0.372617 0.493231 0.610671 O\n0.844289 0.234786 0.507369 O\n0.155712 0.765213 0.492631 O\n0.372617 0.006769 0.110670 O\n0.147396 0.972649 0.369352 O\n0.096606 0.266792 0.257775 O\n0.903395 0.766792 0.242225 O\n0.852605 0.472649 0.130648 O\n0.627384 0.993230 0.889330 O\n0.844289 0.265213 0.007369 O\n0.627384 0.506769 0.389330 O\n0.155712 0.734786 0.992631 O\n",
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"formula_full": "Li4 Ni4 C4 O16",
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"spacegroup": 14
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{
"id": "jvasp-54736",
"created_at": "2022-09-04T14:37:51.367312Z",
"updated_at": "2022-09-04T14:37:51.367337Z",
"structure_string": "Sr2 H8 O12\n1.0\n4.047093 2.972607 0.815790\n-4.047093 2.972607 -0.815790\n0.071177 0.000000 8.283394\nSr H O\n2 8 12\ndirect\n0.829794 0.828789 0.767118 Sr\n0.171212 0.170208 0.267118 Sr\n0.270619 0.670356 0.964605 H\n0.671385 0.269662 0.569615 H\n0.730339 0.328616 0.069615 H\n0.329645 0.729382 0.464605 H\n0.203899 0.389704 0.653190 H\n0.610297 0.796102 0.153190 H\n0.390697 0.202890 0.881016 H\n0.797111 0.609304 0.381016 H\n0.445933 0.483508 0.936819 O\n0.484567 0.444966 0.597356 O\n0.019323 0.649331 0.331314 O\n0.650333 0.018281 0.202908 O\n0.981720 0.349668 0.702907 O\n0.179628 0.833999 0.973007 O\n0.166002 0.820373 0.473007 O\n0.821372 0.164990 0.061226 O\n0.835011 0.178629 0.561226 O\n0.516492 0.554068 0.436819 O\n0.350670 0.980677 0.831313 O\n0.555035 0.515434 0.097356 O\n",
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{
"id": "jvasp-42460",
"created_at": "2022-09-04T14:37:30.516521Z",
"updated_at": "2022-09-04T14:37:30.516542Z",
"structure_string": "Li4 Fe6 Ni2 O16\n1.0\n5.582607 0.000002 0.000047\n-2.791302 4.834675 -0.000096\n0.000124 -0.000215 9.383512\nLi Fe Ni O\n4 6 2 16\ndirect\n0.333332 0.666682 0.896407 Li\n0.000081 0.000050 0.995486 Li\n0.999918 0.999968 0.495486 Li\n0.666667 0.333349 0.396407 Li\n0.826561 0.653151 0.713177 Fe\n0.346821 0.173421 0.713166 Fe\n0.826562 0.173427 0.713175 Fe\n0.173438 0.346865 0.213174 Fe\n0.173439 0.826591 0.213177 Fe\n0.653179 0.826601 0.213166 Fe\n0.333303 0.666662 0.490519 Ni\n0.666696 0.333358 0.990519 Ni\n0.322911 0.161462 0.105024 O\n0.838605 0.677166 0.104999 O\n0.666645 0.333326 0.598991 O\n0.517352 0.034746 0.836366 O\n0.517358 0.482636 0.836368 O\n0.677089 0.838551 0.605023 O\n0.482647 0.517394 0.336366 O\n0.034737 0.517383 0.336363 O\n0.161402 0.322855 0.605002 O\n0.999996 0.000013 0.808878 O\n0.000002 0.000017 0.308877 O\n0.333355 0.666682 0.098991 O\n0.965263 0.482644 0.836363 O\n0.161396 0.838562 0.604999 O\n0.482642 0.965279 0.336368 O\n0.838598 0.161453 0.105002 O\n",
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{
"id": "jvasp-20555",
"created_at": "2022-09-04T14:37:34.796196Z",
"updated_at": "2022-09-04T14:37:34.796221Z",
"structure_string": "Be4 Cu2\n1.0\n3.680412 0.000000 2.124887\n1.226804 3.469926 2.124887\n-0.000000 -0.000000 4.249774\nBe Cu\n4 2\ndirect\n0.499999 0.500001 0.500000 Be\n0.499999 0.500001 0.000001 Be\n-0.000001 0.500001 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.874998 0.875001 0.875001 Cu\n0.125000 0.125000 0.125000 Cu\n",
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{
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"structure_string": "Be4 Cu2\n1.0\n3.680412 0.000000 2.124887\n1.226804 3.469927 2.124887\n0.000000 0.000000 4.249774\nBe Cu\n4 2\ndirect\n0.499999 0.500000 0.500000 Be\n0.499999 0.500000 0.000001 Be\n-0.000001 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.874998 0.875001 0.875001 Cu\n0.125000 0.125000 0.125000 Cu\n",
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},
{
"id": "jvasp-117136",
"created_at": "2022-09-04T14:38:49.569575Z",
"updated_at": "2022-09-04T14:38:49.569591Z",
"structure_string": "Na4 B4 H16\n1.0\n4.242907 0.000000 0.000000\n0.000000 6.974131 0.000000\n-0.000000 0.000000 7.336502\nNa B H\n4 4 16\ndirect\n0.250000 0.251048 0.520191 Na\n0.250000 0.248952 0.020191 Na\n0.750001 0.748952 0.479809 Na\n0.750001 0.751048 0.979809 Na\n0.250000 0.942020 0.766858 B\n0.250000 0.557979 0.266858 B\n0.750001 0.057979 0.233142 B\n0.750001 0.442020 0.733142 B\n0.513751 -0.031764 0.191432 H\n0.986250 0.531763 0.691432 H\n0.986250 -0.031764 0.191432 H\n0.513751 0.531763 0.691432 H\n0.486250 0.031764 0.808568 H\n0.013751 0.468236 0.308568 H\n0.250000 0.916380 0.600638 H\n0.750001 0.286587 0.657516 H\n0.750001 0.083620 0.399362 H\n0.750001 0.416380 0.899362 H\n0.486250 0.468236 0.308568 H\n0.750001 0.213412 0.157517 H\n0.250000 0.713412 0.342483 H\n0.250000 0.786587 0.842483 H\n0.250000 0.583620 0.100638 H\n0.013751 0.031764 0.808568 H\n",
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{
"id": "jvasp-117410",
"created_at": "2022-09-04T14:38:26.556313Z",
"updated_at": "2022-09-04T14:38:26.556339Z",
"structure_string": "Li6 Mn1 O6\n1.0\n4.870734 0.011044 -2.803043\n1.623674 4.308862 -2.795050\n-0.007655 -0.016971 5.619784\nLi Mn O\n6 1 6\ndirect\n0.283499 0.289602 0.495371 Li\n0.077688 0.710314 0.283452 Li\n0.495449 0.710241 0.922259 Li\n0.504551 0.289758 0.077739 Li\n0.922311 0.289684 0.716547 Li\n0.716501 0.710397 0.504628 Li\n0.000000 0.000000 0.000000 Mn\n0.095246 0.758059 0.651584 O\n0.201703 0.241919 0.095210 O\n0.651613 0.241881 0.798269 O\n0.348387 0.758118 0.201729 O\n0.798296 0.758080 0.904789 O\n0.904753 0.241940 0.348415 O\n",
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}
]
}