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{
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"results": [
{
"id": "jvasp-117317",
"created_at": "2022-09-04T14:38:26.194921Z",
"updated_at": "2022-09-04T14:38:26.194950Z",
"structure_string": "Na3 Li3 Fe2 P2 C2 O14\n1.0\n4.974316 0.014603 0.256521\n0.080674 6.622617 0.168338\n0.011212 0.088031 8.704847\nNa Li Fe P C O\n3 3 2 2 2 14\ndirect\n0.739532 0.991626 0.743948 Na\n0.742977 0.492538 0.753983 Na\n0.261116 0.507491 0.245393 Na\n0.215210 0.754720 0.891899 Li\n0.263701 0.021621 0.272211 Li\n0.765232 0.224791 0.104984 Li\n0.228769 0.248750 0.640134 Fe\n0.789352 0.763145 0.352543 Fe\n0.728622 0.251976 0.405273 P\n0.290286 0.751033 0.587749 P\n0.275068 0.236226 0.956248 C\n0.699167 0.759873 0.050797 C\n0.538284 0.791748 0.171833 O\n0.856835 0.080439 0.306219 O\n0.784382 0.448680 0.307333 O\n0.417975 0.219312 0.425929 O\n0.173718 0.762567 0.426441 O\n0.842911 0.255128 0.566640 O\n0.596356 0.738438 0.919130 O\n0.201705 0.559663 0.684761 O\n0.195092 0.928667 0.690562 O\n0.446372 0.235180 0.837125 O\n0.020231 0.243492 0.933829 O\n0.956311 0.750280 0.066104 O\n0.603108 0.751646 0.566004 O\n0.367686 0.230966 0.092934 O\n",
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{
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"structure_string": "Sc1 Al1 O2\n1.0\n1.573638 0.908540 6.791275\n-1.573638 0.908540 6.791275\n0.000000 -1.817081 6.791275\nSc Al O\n1 1 2\ndirect\n-0.001749 -0.001749 -0.001743 Sc\n0.182350 0.182350 0.182351 Al\n0.269327 0.269327 0.269329 O\n0.709065 0.709065 0.709069 O\n",
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},
{
"id": "jvasp-86885",
"created_at": "2022-09-04T14:36:08.841877Z",
"updated_at": "2022-09-04T14:36:08.841904Z",
"structure_string": "Al10 C6 N2\n1.0\n3.308165 -0.000000 -0.000000\n-1.654082 2.864954 0.000000\n0.000000 -0.000000 21.876286\nAl C N\n10 6 2\ndirect\n0.000000 0.000000 0.159119 Al\n0.000000 0.000000 0.847609 Al\n0.666668 0.333332 0.952872 Al\n0.000000 0.000000 0.659119 Al\n0.000000 0.000000 0.347609 Al\n0.333333 0.666666 0.262570 Al\n0.333333 0.666666 0.452872 Al\n0.666668 0.333332 0.762570 Al\n0.666668 0.333332 0.544560 Al\n0.333333 0.666666 0.044560 Al\n0.000000 0.000000 0.748889 C\n0.666668 0.333332 0.865873 C\n0.000000 0.000000 0.248889 C\n0.000000 0.000000 0.002039 C\n0.333333 0.666666 0.365873 C\n0.000000 0.000000 0.502039 C\n0.666668 0.333332 0.629469 N\n0.333333 0.666666 0.129469 N\n",
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],
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"volume": 207.33776289269028,
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"formula_full": "Al10 C6 N2",
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"formula_anonymous": "AB3C5",
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},
{
"id": "jvasp-50405",
"created_at": "2022-09-04T14:36:02.317849Z",
"updated_at": "2022-09-04T14:36:02.317876Z",
"structure_string": "Li4 V6 S12\n1.0\n5.599749 -0.000000 0.000541\n-2.799875 4.849559 -0.000270\n0.001491 0.000000 14.824251\nLi V S\n4 6 12\ndirect\n0.333280 0.666688 0.249999 Li\n0.333283 0.666689 0.750000 Li\n0.666594 0.333311 0.750000 Li\n0.666593 0.333312 0.249999 Li\n-0.000006 0.674706 -0.000000 V\n-0.000014 0.325293 0.500000 V\n0.325290 0.325295 -0.000000 V\n0.325278 -0.000000 0.500000 V\n0.674692 0.674707 0.500000 V\n0.674701 0.000000 -0.000001 V\n0.666612 0.333333 0.597082 S\n0.666622 0.333334 0.097082 S\n0.333372 0.666667 0.902917 S\n0.000038 -0.000000 0.898679 S\n0.333361 0.666666 0.402918 S\n0.333289 0.666666 0.097082 S\n0.000027 -0.000000 0.398681 S\n0.999956 0.000000 0.101320 S\n0.333279 0.666667 0.597082 S\n0.666704 0.333333 0.902917 S\n-0.000055 -0.000000 0.601319 S\n0.666696 0.333335 0.402918 S\n",
"nsites": 22,
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"elements": [
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{
"id": "jvasp-86283",
"created_at": "2022-09-04T14:35:41.632646Z",
"updated_at": "2022-09-04T14:35:41.632670Z",
"structure_string": "Al10 C6 N2\n1.0\n3.308163 0.000000 0.000000\n-1.654081 2.864953 -0.000000\n0.000000 -0.000000 21.876318\nAl C N\n10 6 2\ndirect\n0.000000 0.000000 0.159120 Al\n0.000000 0.000000 0.847607 Al\n0.666666 0.333333 0.952871 Al\n0.000000 0.000000 0.659120 Al\n0.000000 0.000000 0.347607 Al\n0.333333 0.666666 0.262570 Al\n0.333333 0.666666 0.452871 Al\n0.666666 0.333333 0.762570 Al\n0.666666 0.333333 0.544560 Al\n0.333333 0.666666 0.044560 Al\n0.000000 0.000000 0.748890 C\n0.666666 0.333333 0.865872 C\n0.000000 0.000000 0.248890 C\n0.000000 0.000000 0.002039 C\n0.333333 0.666666 0.365872 C\n0.000000 0.000000 0.502039 C\n0.666666 0.333333 0.629470 N\n0.333333 0.666666 0.129470 N\n",
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"formula_full": "Al10 C6 N2",
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"formula_anonymous": "AB3C5",
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{
"id": "jvasp-3864",
"created_at": "2022-09-04T14:36:19.556973Z",
"updated_at": "2022-09-04T14:36:19.556989Z",
"structure_string": "Rb2 Ti1 Cl6\n1.0\n6.056728 0.000000 3.496854\n2.018909 5.710338 3.496854\n-0.000000 -0.000000 6.993707\nRb Ti Cl\n2 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ti\n0.238533 0.761468 0.761467 Cl\n0.238533 0.761468 0.238532 Cl\n0.761468 0.238533 0.761467 Cl\n0.761468 0.238533 0.238532 Cl\n0.761468 0.761468 0.238532 Cl\n0.238533 0.238533 0.761467 Cl\n",
"nsites": 9,
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"elements": [
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],
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"volume": 241.88409890665577,
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"formula_full": "Rb2 Ti1 Cl6",
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},
{
"id": "jvasp-115321",
"created_at": "2022-09-04T14:38:43.578999Z",
"updated_at": "2022-09-04T14:38:43.579020Z",
"structure_string": "Ti1 S1 O2\n1.0\n2.794919 0.000000 -0.000000\n0.000000 2.794919 0.000000\n-0.000000 0.000000 8.031959\nTi S O\n1 1 2\ndirect\n0.500000 0.500000 0.584841 Ti\n0.000000 0.000000 0.110627 S\n0.000000 0.000000 0.526563 O\n0.500000 0.500000 0.787968 O\n",
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},
{
"id": "jvasp-117300",
"created_at": "2022-09-04T14:38:26.157867Z",
"updated_at": "2022-09-04T14:38:26.157892Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.061046 -0.000297 0.000308\n0.000489 10.207657 0.000039\n-0.000437 -0.000021 6.808486\nLi Mn P O\n4 4 4 16\ndirect\n0.246216 0.155096 0.496202 Li\n0.746227 0.344904 0.996201 Li\n0.246234 0.655099 0.003800 Li\n0.746233 0.844903 0.503800 Li\n0.243740 0.655399 0.504052 Mn\n0.743743 0.844600 0.004053 Mn\n0.243737 0.155402 0.995949 Mn\n0.743726 0.344600 0.495949 Mn\n0.250186 0.905960 0.256824 P\n0.750184 0.594040 0.756825 P\n0.250173 0.405959 0.243176 P\n0.750178 0.094041 0.743177 P\n0.139821 0.340398 0.433383 O\n0.639831 0.159602 0.933382 O\n0.122635 0.843202 0.441063 O\n0.622634 0.656798 0.941065 O\n0.122621 0.343202 0.058938 O\n0.622623 0.156796 0.558939 O\n0.553234 0.880279 0.261836 O\n0.690016 0.445131 0.753070 O\n0.553221 0.380275 0.238164 O\n0.053224 0.119727 0.738165 O\n0.690021 0.945131 0.746931 O\n0.190018 0.554869 0.246930 O\n0.639834 0.659603 0.566617 O\n0.190020 0.054868 0.253069 O\n0.053235 0.619723 0.761836 O\n0.139837 0.840397 0.066618 O\n",
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"volume": 351.73606826952874,
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"formula_full": "Li4 Mn4 P4 O16",
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{
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"created_at": "2022-09-04T14:37:14.667824Z",
"updated_at": "2022-09-04T14:37:14.667844Z",
"structure_string": "Rb2 P2 O6\n1.0\n4.858536 0.000000 0.000000\n0.000000 5.379426 -2.483997\n0.000000 -0.003783 7.056334\nRb P O\n2 2 6\ndirect\n0.250000 0.648940 0.297844 Rb\n0.750001 0.351064 0.702155 Rb\n0.250000 0.919037 0.838094 P\n0.750001 0.080964 0.161906 P\n0.750001 0.358124 0.279347 O\n0.750001 0.921317 0.279444 O\n0.250000 0.641877 0.720646 O\n0.250000 0.078692 0.720564 O\n0.500000 -0.000006 0.000000 O\n-0.000000 -0.000006 0.000000 O\n",
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"volume": 184.37964171308738,
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},
{
"id": "jvasp-98203",
"created_at": "2022-09-04T14:36:22.210225Z",
"updated_at": "2022-09-04T14:36:22.210246Z",
"structure_string": "Ca4 Sc8 S16\n1.0\n3.729555 -0.000000 0.000000\n0.000000 11.517372 0.000000\n0.000000 0.000000 13.482402\nCa Sc S\n4 8 16\ndirect\n0.250000 0.739625 0.832728 Ca\n0.749999 0.260375 0.167272 Ca\n0.250000 0.239625 0.667272 Ca\n0.749999 0.760375 0.332728 Ca\n0.250000 0.057601 0.888178 Sc\n0.250000 0.557601 0.611821 Sc\n0.749999 0.442399 0.388178 Sc\n0.749999 0.414297 0.903603 Sc\n0.250000 0.585703 0.096396 Sc\n0.749999 0.914297 0.596396 Sc\n0.250000 0.085703 0.403603 Sc\n0.749999 0.942399 0.111822 Sc\n0.250000 0.297689 0.330833 S\n0.749999 0.702311 0.669167 S\n0.250000 0.092479 0.075114 S\n0.749999 0.126339 0.533325 S\n0.250000 0.873661 0.466675 S\n0.749999 0.626339 0.966675 S\n0.250000 0.373661 0.033325 S\n0.749999 0.532630 0.215018 S\n0.250000 0.467370 0.784982 S\n0.749999 0.032630 0.284982 S\n0.250000 0.967370 0.715018 S\n0.749999 0.407521 0.575114 S\n0.250000 0.592479 0.424886 S\n0.749999 0.907521 0.924886 S\n0.749999 0.202311 0.830833 S\n0.250000 0.797689 0.169167 S\n",
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{
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"structure_string": "Li4 Zn2 Si2\n1.0\n-2.133354 -3.696656 0.000000\n-2.133354 3.696656 -0.000000\n0.000000 0.000000 -7.633423\nLi Zn Si\n4 2 2\ndirect\n0.666739 0.333259 0.581855 Li\n0.333259 0.666739 0.418144 Li\n0.333259 0.666739 0.081855 Li\n0.666739 0.333259 0.918144 Li\n0.666402 0.333596 0.250000 Zn\n0.333596 0.666402 0.750000 Zn\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
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],
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"volume": 120.39855913262471,
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"formula_full": "Li4 Zn2 Si2",
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"spacegroup": 194
},
{
"id": "jvasp-113560",
"created_at": "2022-09-04T14:38:46.522490Z",
"updated_at": "2022-09-04T14:38:46.522507Z",
"structure_string": "Ca1 N2\n1.0\n3.769583 0.551402 0.983012\n-0.188908 -3.868471 0.342514\n-1.111607 1.413467 -3.087738\nCa N\n1 2\ndirect\n0.096359 0.075316 0.095504 Ca\n0.490484 0.680377 0.095598 N\n0.702262 0.470260 0.095379 N\n",
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"volume": 38.180812545542615,
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}
]
}