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{
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"results": [
{
"id": "jvasp-13868",
"created_at": "2022-09-04T14:37:16.389559Z",
"updated_at": "2022-09-04T14:37:16.389580Z",
"structure_string": "Na6 Si3 F18\n1.0\n4.620854 -8.003552 -0.000000\n4.620854 8.003552 0.000000\n-0.000000 0.000000 4.494578\nNa Si F\n6 3 18\ndirect\n0.656637 0.656637 0.000000 Na\n0.343362 -0.000000 0.000000 Na\n-0.000000 0.343362 0.000000 Na\n0.343362 0.343362 0.000000 Na\n0.656637 -0.000000 0.000000 Na\n-0.000000 0.656637 0.000000 Na\n0.333333 0.666667 0.497081 Si\n0.000000 0.000000 0.000000 Si\n0.666667 0.333333 0.502920 Si\n0.089186 0.910813 0.786000 F\n0.244837 0.755162 0.279087 F\n0.910813 0.089186 0.214001 F\n0.178371 0.089186 0.214001 F\n0.910813 0.821628 0.214001 F\n0.089186 0.178371 0.786000 F\n0.821628 0.910813 0.786000 F\n0.755162 0.510325 0.720913 F\n0.156245 0.578123 0.716084 F\n0.755162 0.244837 0.720913 F\n0.421876 0.578123 0.716084 F\n0.510325 0.755162 0.279087 F\n0.421876 0.843754 0.716084 F\n0.578123 0.156245 0.283916 F\n0.843754 0.421876 0.283916 F\n0.578123 0.421876 0.283916 F\n0.489674 0.244837 0.720913 F\n0.244837 0.489674 0.279087 F\n",
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{
"id": "jvasp-9750",
"created_at": "2022-09-04T14:38:13.245199Z",
"updated_at": "2022-09-04T14:38:13.245215Z",
"structure_string": "Ho2 Ta2 O8\n1.0\n0.000000 5.127251 -0.002235\n5.451736 0.000000 0.000000\n0.000000 -0.597133 -5.285626\nHo Ta O\n2 2 8\ndirect\n0.000000 0.765008 0.250000 Ho\n0.000000 0.234993 0.750001 Ho\n0.500000 0.697028 0.750001 Ta\n0.500000 0.302973 0.250001 Ta\n0.265993 0.561849 0.991186 O\n0.734008 0.561849 0.508816 O\n0.734008 0.438152 0.008816 O\n0.265993 0.438152 0.491186 O\n0.750151 0.079758 0.402789 O\n0.249849 0.079758 0.097213 O\n0.249849 0.920243 0.597213 O\n0.750152 0.920243 0.902789 O\n",
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"formula_anonymous": "ABC4",
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"spacegroup": 13
},
{
"id": "jvasp-14580",
"created_at": "2022-09-04T14:35:52.142053Z",
"updated_at": "2022-09-04T14:35:52.142070Z",
"structure_string": "B2 Mo4\n1.0\n4.430029 0.017111 -1.238387\n-2.546912 3.624733 -1.238387\n-0.008848 -0.017111 4.599857\nB Mo\n2 4\ndirect\n0.750000 0.749999 -0.000001 B\n0.250000 0.250000 -0.000000 B\n0.830355 0.669645 0.499999 Mo\n0.330355 0.830354 0.160708 Mo\n0.169645 0.330355 0.500000 Mo\n0.669645 0.169645 0.839291 Mo\n",
"nsites": 6,
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},
{
"id": "jvasp-119334",
"created_at": "2022-09-04T14:38:50.830319Z",
"updated_at": "2022-09-04T14:38:50.830338Z",
"structure_string": "Li4 Mn4 O2 F12\n1.0\n5.058270 -0.069523 -0.943272\n1.219624 4.909512 0.943318\n-0.021264 0.027361 10.880660\nLi Mn O F\n4 4 2 12\ndirect\n0.432597 0.910907 0.709393 Li\n0.089095 0.567406 0.209393 Li\n0.109479 0.484754 0.801882 Li\n0.515247 0.890518 0.301884 Li\n0.085655 0.587844 0.499582 Mn\n0.678542 0.420159 0.940283 Mn\n0.412154 0.914347 0.999583 Mn\n0.579838 0.321457 0.440284 Mn\n0.345453 0.648014 0.918559 O\n0.351986 0.654548 0.418559 O\n0.858824 0.554698 0.341402 F\n0.356518 0.251620 0.293848 F\n0.018835 0.191847 0.946389 F\n0.356915 0.180780 0.562844 F\n0.445301 0.141175 0.841402 F\n0.219165 0.666360 0.657734 F\n0.333639 0.780836 0.157734 F\n0.748377 0.643480 0.793847 F\n0.839419 0.404413 0.578086 F\n0.819221 0.643089 0.062844 F\n0.595587 0.160586 0.078086 F\n0.808152 -0.018836 0.446389 F\n",
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{
"id": "jvasp-98228",
"created_at": "2022-09-04T14:35:54.361437Z",
"updated_at": "2022-09-04T14:35:54.361456Z",
"structure_string": "Nb6 Si7 Ni16\n1.0\n6.896268 0.000000 3.981562\n2.298756 6.501863 3.981562\n0.000000 0.000000 7.963124\nNb Si Ni\n6 7 16\ndirect\n0.797518 0.202482 0.202482 Nb\n0.202483 0.202482 0.797517 Nb\n0.797518 0.202482 0.797517 Nb\n0.202483 0.797517 0.202482 Nb\n0.202483 0.797517 0.797517 Nb\n0.797518 0.797517 0.202482 Nb\n0.500001 0.500000 0.499999 Si\n0.500000 -0.000000 0.500000 Si\n0.000000 0.500000 -0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500001 0.500000 -0.000000 Si\n-0.000000 -0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.832125 0.832123 0.503628 Ni\n0.167876 0.167876 0.167876 Ni\n0.616575 0.616574 0.616573 Ni\n0.383426 0.383426 0.849721 Ni\n0.383427 0.849722 0.383425 Ni\n0.616574 0.150278 0.616573 Ni\n0.150278 0.616574 0.616573 Ni\n0.616575 0.616574 0.150277 Ni\n0.832125 0.832123 0.832123 Ni\n0.167876 0.167876 0.496371 Ni\n0.167877 0.496371 0.167876 Ni\n0.496372 0.167876 0.167876 Ni\n0.832124 0.503628 0.832123 Ni\n0.503629 0.832123 0.832123 Ni\n0.849723 0.383426 0.383425 Ni\n0.383426 0.383426 0.383425 Ni\n",
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"formula_full": "Nb6 Si7 Ni16",
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},
{
"id": "jvasp-42445",
"created_at": "2022-09-04T14:37:29.847442Z",
"updated_at": "2022-09-04T14:37:29.847466Z",
"structure_string": "V4 O3 F9\n1.0\n5.039070 0.013136 -0.002963\n2.464619 4.688425 0.026788\n2.280603 1.770066 8.358912\nV O F\n4 3 9\ndirect\n0.754270 0.754071 0.758926 V\n0.514858 0.514512 0.504355 V\n0.245337 0.245041 0.236433 V\n0.995010 0.995026 0.999311 V\n0.836522 0.835637 0.915082 O\n0.172902 0.170438 0.083529 O\n0.661744 0.662746 0.582075 O\n0.323590 0.328701 0.421302 F\n0.319688 0.942062 0.818633 F\n0.752678 0.382666 0.882408 F\n0.745741 0.114771 0.611801 F\n0.812654 0.449574 0.314363 F\n0.181662 0.545545 0.679762 F\n0.250050 0.880992 0.381644 F\n0.249313 0.620096 0.123630 F\n0.683967 0.058142 0.186748 F\n",
"nsites": 16,
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"elements": [
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"formula_full": "V4 O3 F9",
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},
{
"id": "jvasp-97607",
"created_at": "2022-09-04T14:35:45.383070Z",
"updated_at": "2022-09-04T14:35:45.383085Z",
"structure_string": "Mn8 Ge4 O16\n1.0\n5.096774 0.000000 0.000000\n0.000000 6.315372 0.000000\n0.000000 0.000000 10.709573\nMn Ge O\n8 4 16\ndirect\n0.012776 0.750000 0.719754 Mn\n0.512776 0.250000 0.780245 Mn\n0.987223 0.250000 0.280245 Mn\n0.487223 0.750000 0.219754 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.936662 0.750000 0.402227 Ge\n0.063337 0.250000 0.597772 Ge\n0.563337 0.750000 0.902227 Ge\n0.436662 0.250000 0.097773 Ge\n0.283469 0.750000 0.406742 O\n0.783468 0.250000 0.093258 O\n0.227015 0.473336 0.665995 O\n0.721302 0.750000 0.054721 O\n0.221302 0.250000 0.445278 O\n0.278697 0.250000 0.945278 O\n0.778697 0.750000 0.554721 O\n0.727015 0.973336 0.834005 O\n0.227015 0.026664 0.665995 O\n0.272985 0.473336 0.165995 O\n0.772984 0.526664 0.334005 O\n0.272985 0.026664 0.165995 O\n0.772984 0.973336 0.334005 O\n0.727015 0.526664 0.834005 O\n0.216531 0.750000 0.906741 O\n0.716531 0.250000 0.593258 O\n",
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"formula_full": "Mn8 Ge4 O16",
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"spacegroup": 62
},
{
"id": "jvasp-30574",
"created_at": "2022-09-04T14:36:46.713622Z",
"updated_at": "2022-09-04T14:36:46.713644Z",
"structure_string": "Mg1 Cr2 F12\n1.0\n4.358642 0.045101 2.878813\n3.102081 8.222809 5.790963\n0.080802 0.075543 5.260293\nMg Cr F\n1 2 12\ndirect\n0.499999 0.750000 0.500000 Mg\n0.007745 0.012420 0.976084 Cr\n-0.007746 0.487579 0.023916 Cr\n0.376043 0.049362 0.762248 F\n0.352401 0.555630 0.771710 F\n0.088692 0.384602 0.374873 F\n0.114738 0.884480 0.352684 F\n0.224753 0.317614 0.911622 F\n0.235902 0.821064 0.884848 F\n0.911307 0.115398 0.625126 F\n0.885261 0.615520 0.647315 F\n0.623956 0.450637 0.237752 F\n0.647598 0.944370 0.228289 F\n0.775246 0.182385 0.088378 F\n0.764097 0.678936 0.115151 F\n",
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},
{
"id": "jvasp-9594",
"created_at": "2022-09-04T14:37:27.209633Z",
"updated_at": "2022-09-04T14:37:27.209649Z",
"structure_string": "Ho2 Ta2 O8\n1.0\n4.760090 0.004476 -1.782415\n-1.288319 4.769642 -1.989595\n-0.008458 0.006387 6.505282\nHo Ta O\n2 2 8\ndirect\n0.381195 0.631190 0.262382 Ho\n0.618804 0.368811 0.737618 Ho\n0.852341 0.102343 0.204683 Ta\n0.147659 0.897658 0.795317 Ta\n0.001434 0.786481 0.062256 O\n0.560824 0.275771 0.062252 O\n0.998565 0.213520 0.937744 O\n0.439176 0.724230 0.937748 O\n0.209732 0.369838 0.422218 O\n0.712486 0.052385 0.422220 O\n0.790267 0.630163 0.577781 O\n0.287513 0.947616 0.577780 O\n",
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"spacegroup": 15
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{
"id": "jvasp-17755",
"created_at": "2022-09-04T14:37:28.774487Z",
"updated_at": "2022-09-04T14:37:28.774511Z",
"structure_string": "Mn2 Co2 Ge2\n1.0\n2.040238 -3.533795 -0.000000\n2.040238 3.533795 -0.000000\n0.000000 0.000000 5.122517\nMn Co Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666668 0.333333 0.750000 Co\n0.333333 0.666668 0.250000 Co\n0.333333 0.666668 0.750000 Ge\n0.666668 0.333333 0.250000 Ge\n",
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"spacegroup": 194
},
{
"id": "jvasp-116667",
"created_at": "2022-09-04T14:38:44.273542Z",
"updated_at": "2022-09-04T14:38:44.273570Z",
"structure_string": "Na1 Li3 V4 O12\n1.0\n6.499923 0.061950 1.773873\n0.547235 6.477142 1.773873\n0.019981 0.018541 5.862891\nNa Li V O\n1 3 4 12\ndirect\n0.713444 0.286556 -0.000000 Na\n0.921292 0.078707 0.500000 Li\n0.088809 0.911190 -0.000000 Li\n0.272270 0.727729 0.500000 Li\n0.806725 0.618355 0.503387 V\n0.381644 0.193274 0.496613 V\n0.191346 0.379768 0.996589 V\n0.620231 0.808653 0.003410 V\n0.224970 0.000771 0.590448 O\n0.999228 0.775029 0.409551 O\n0.656420 0.635172 0.803543 O\n0.364827 0.343579 0.196456 O\n0.333377 0.377566 0.687994 O\n0.625829 0.093358 0.456795 O\n0.384170 0.930545 0.025284 O\n0.069454 0.615829 0.974716 O\n0.019838 0.202960 0.104232 O\n0.906641 0.374170 0.543204 O\n0.622433 0.666622 0.312005 O\n0.797038 0.980161 0.895767 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 246.21121213124903,
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"formula_full": "Na1 Li3 V4 O12",
"formula_reduced": "NaLi3V4O12",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 5
},
{
"id": "jvasp-50760",
"created_at": "2022-09-04T14:35:47.427032Z",
"updated_at": "2022-09-04T14:35:47.427059Z",
"structure_string": "Li4 Ag4 F8\n1.0\n2.898690 0.000000 0.000000\n0.000000 6.188877 0.000000\n0.000000 0.000000 10.979096\nLi Ag F\n4 4 8\ndirect\n0.253256 0.214715 0.105324 Li\n0.753256 0.285285 0.894677 Li\n0.746745 0.714716 0.394676 Li\n0.246744 0.785285 0.605324 Li\n0.745623 0.263955 0.619058 Ag\n0.245623 0.236045 0.380942 Ag\n0.254377 0.763955 0.880943 Ag\n0.754377 0.736046 0.119058 Ag\n0.253285 0.089456 0.945569 F\n0.752825 0.058841 0.191640 F\n0.252825 0.441159 0.808361 F\n0.753285 0.410544 0.054431 F\n0.746715 0.589456 0.554431 F\n0.247176 0.558841 0.308361 F\n0.747176 0.941159 0.691640 F\n0.246715 0.910545 0.445569 F\n",
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"formula_full": "Li4 Ag4 F8",
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}
]
}