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{
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{
"id": "jvasp-47535",
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"updated_at": "2022-09-04T14:35:41.400466Z",
"structure_string": "Rb4 Co2 O6\n1.0\n6.266872 0.115182 -0.000000\n-2.104930 5.903916 0.000000\n0.000000 0.000000 5.371094\nRb Co O\n4 2 6\ndirect\n0.183015 0.505065 0.740022 Rb\n0.494935 0.816986 0.240022 Rb\n0.505064 0.183014 0.740022 Rb\n0.816985 0.494936 0.240022 Rb\n0.072434 0.072434 0.240008 Co\n0.927566 0.927567 0.740007 Co\n0.119475 0.880443 0.990026 O\n0.119558 0.880525 0.490026 O\n0.320456 0.320456 0.239893 O\n0.679544 0.679544 0.739893 O\n0.880442 0.119475 0.990026 O\n0.880524 0.119557 0.490026 O\n",
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{
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"structure_string": "Ba6 Pb10\n1.0\n7.273578 0.013468 0.000000\n-1.483169 7.120768 -0.000000\n-0.000000 0.000000 11.458990\nBa Pb\n6 10\ndirect\n0.865035 0.865035 0.750000 Ba\n0.706882 0.293118 0.500000 Ba\n0.293118 0.706882 0.500000 Ba\n0.293118 0.706882 0.000000 Ba\n0.134966 0.134966 0.250000 Ba\n0.706882 0.293118 0.000000 Ba\n0.416335 0.013059 0.750000 Pb\n0.986941 0.583666 0.250000 Pb\n0.196630 0.196630 0.553978 Pb\n0.196630 0.196630 0.946022 Pb\n0.536790 0.536790 0.250000 Pb\n0.803371 0.803371 0.446022 Pb\n0.463210 0.463211 0.750000 Pb\n0.583665 0.986942 0.250000 Pb\n0.013059 0.416335 0.750000 Pb\n0.803371 0.803371 0.053978 Pb\n",
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{
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"structure_string": "Na8 Si8 Se20\n1.0\n9.407271 0.017164 -0.000000\n-0.142015 9.406214 -0.000000\n-0.000000 -0.000000 10.910855\nNa Si Se\n8 8 20\ndirect\n0.073313 0.417632 0.750000 Na\n0.926687 0.582368 0.250000 Na\n0.417632 0.073313 0.750000 Na\n0.582369 0.926686 0.250000 Na\n0.149015 0.850984 0.500000 Na\n0.850985 0.149015 0.000000 Na\n0.850985 0.149015 0.500000 Na\n0.149015 0.850984 0.000000 Na\n0.254294 0.254294 0.080618 Si\n0.745706 0.745705 0.580618 Si\n0.254294 0.254294 0.419382 Si\n0.745706 0.745705 0.919381 Si\n0.410366 0.682677 0.750000 Si\n0.317323 0.589634 0.250000 Si\n0.682678 0.410365 0.750000 Si\n0.589634 0.317322 0.250000 Si\n0.208594 0.496628 0.075354 Se\n0.496628 0.208594 0.075354 Se\n0.503372 0.791405 0.575354 Se\n0.208594 0.496628 0.424646 Se\n0.791406 0.503371 0.924645 Se\n0.503372 0.791405 0.924645 Se\n0.496628 0.208594 0.424646 Se\n0.791406 0.503371 0.575354 Se\n0.150254 0.150254 0.250000 Se\n0.178539 0.725607 0.750000 Se\n0.155665 0.155665 0.914719 Se\n0.844335 0.844334 0.414719 Se\n0.155665 0.155665 0.585280 Se\n0.844335 0.844334 0.085280 Se\n0.725607 0.178538 0.750000 Se\n0.274393 0.821461 0.250000 Se\n0.440960 0.440960 0.750000 Se\n0.821461 0.274392 0.250000 Se\n0.849746 0.849745 0.750000 Se\n0.559040 0.559039 0.250000 Se\n",
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{
"id": "jvasp-4921",
"created_at": "2022-09-04T14:35:41.436974Z",
"updated_at": "2022-09-04T14:35:41.437001Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n2.879722 0.000000 0.000000\n-1.439861 4.711342 0.000000\n0.000000 0.000000 7.236445\nTi Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.756725 0.513455 0.250000 Fe\n0.243272 0.486545 0.750000 Fe\n0.367190 0.734379 0.428668 O\n0.367190 0.734379 0.071331 O\n0.905378 0.810759 0.750000 O\n0.632808 0.265620 0.928667 O\n0.632808 0.265620 0.571331 O\n0.094620 0.189240 0.250000 O\n",
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{
"id": "jvasp-3915",
"created_at": "2022-09-04T14:35:41.667613Z",
"updated_at": "2022-09-04T14:35:41.667637Z",
"structure_string": "Nd2 Br6\n1.0\n4.126670 -0.000000 0.000000\n-2.063335 6.342270 0.000000\n0.000000 0.000000 9.192225\nNd Br\n2 6\ndirect\n0.743326 0.486652 0.250000 Nd\n0.256675 0.513348 0.750000 Nd\n0.355531 0.711059 0.435219 Br\n0.644470 0.288941 0.564780 Br\n0.919976 0.839949 0.750000 Br\n0.080025 0.160051 0.250000 Br\n0.355531 0.711059 0.064780 Br\n0.644470 0.288941 0.935219 Br\n",
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"spacegroup": 63
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{
"id": "jvasp-63285",
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"updated_at": "2022-09-04T14:35:41.718527Z",
"structure_string": "K4 Ag2 As2\n1.0\n3.938265 -4.965620 0.000000\n3.938265 4.965620 0.000000\n0.000000 0.000000 6.026267\nK Ag As\n4 2 2\ndirect\n0.683751 0.029093 0.249982 K\n0.316248 0.970906 0.749982 K\n0.029093 0.683751 0.250018 K\n0.970906 0.316248 0.750018 K\n0.500048 0.499951 0.000000 Ag\n0.499951 0.500048 0.500000 Ag\n0.236313 0.236313 0.250000 As\n0.763686 0.763686 0.750000 As\n",
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"volume": 235.69848048422153,
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"formula_full": "K4 Ag2 As2",
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"spacegroup": 63
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{
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"created_at": "2022-09-04T14:35:41.980408Z",
"updated_at": "2022-09-04T14:35:41.980441Z",
"structure_string": "La4 Al4\n1.0\n5.781740 0.000000 0.000000\n-0.000000 6.017029 -1.209208\n-0.000000 -0.007052 6.137326\nLa Al\n4 4\ndirect\n0.750000 0.156765 0.514423 La\n0.250000 0.843235 0.485577 La\n0.750000 0.514423 0.156765 La\n0.250000 0.485578 0.843235 La\n0.750000 0.695748 0.695748 Al\n0.250000 0.304253 0.304253 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n",
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{
"id": "jvasp-85826",
"created_at": "2022-09-04T14:35:42.261209Z",
"updated_at": "2022-09-04T14:35:42.261255Z",
"structure_string": "Ni6 S4\n1.0\n-3.250068 0.000000 0.000000\n0.000000 -0.000019 6.861238\n-1.625034 5.577546 -0.000018\nNi S\n6 4\ndirect\n0.461964 0.250002 0.076072 Ni\n0.538035 0.749998 0.923929 Ni\n0.665005 0.432958 0.669990 Ni\n0.334998 0.567043 0.330004 Ni\n0.665000 0.067034 0.670000 Ni\n0.334996 0.932966 0.330006 Ni\n0.000000 0.000001 0.000000 S\n0.259891 0.250000 0.480217 S\n0.740108 0.750000 0.519785 S\n0.000000 0.500001 -0.000000 S\n",
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{
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"created_at": "2022-09-04T14:35:42.206070Z",
"updated_at": "2022-09-04T14:35:42.206099Z",
"structure_string": "Ba2 Nd4 Ti6 O20\n1.0\n3.887742 -0.000000 -0.533743\n0.000000 7.684162 0.000000\n-0.020746 0.000000 14.274762\nBa Nd Ti O\n2 4 6 20\ndirect\n0.256579 0.750000 0.513159 Ba\n0.743420 0.250000 0.486841 Ba\n0.427313 0.750000 0.854627 Nd\n0.419783 0.250000 0.839568 Nd\n0.580216 0.750000 0.160432 Nd\n0.572686 0.250000 0.145373 Nd\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.853883 0.994502 0.707768 Ti\n0.146115 0.005498 0.292232 Ti\n0.146115 0.494502 0.292232 Ti\n0.853883 0.505498 0.707768 Ti\n0.147296 0.750000 0.294592 O\n0.852702 0.250000 0.705408 O\n0.877594 0.750000 0.755191 O\n0.122405 0.250000 0.244809 O\n0.369130 0.507684 0.738261 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.933206 0.054123 0.866414 O\n0.066792 0.945877 0.133586 O\n0.066792 0.554123 0.133586 O\n0.933206 0.445877 0.866414 O\n0.792404 0.951496 0.584812 O\n0.207594 0.048504 0.415188 O\n0.207594 0.451496 0.415188 O\n0.792404 0.548503 0.584812 O\n0.369130 0.992316 0.738261 O\n0.630869 0.007684 0.261739 O\n0.630869 0.492316 0.261739 O\n0.017027 0.250000 0.034054 O\n0.982972 0.750000 0.965946 O\n",
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{
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{
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"structure_string": "Ho2 Au2\n1.0\n1.853140 -5.447656 0.000000\n1.853140 5.447656 -0.000000\n0.000000 -0.000000 4.616675\nHo Au\n2 2\ndirect\n0.861604 0.138396 0.750001 Ho\n0.138396 0.861604 0.250000 Ho\n0.590939 0.409061 0.750001 Au\n0.409061 0.590939 0.250000 Au\n",
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{
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"created_at": "2022-09-04T14:35:42.655604Z",
"updated_at": "2022-09-04T14:35:42.655615Z",
"structure_string": "Tm6 Ta2 O14\n1.0\n5.217870 3.623155 0.000000\n-5.217870 3.623155 0.000000\n0.000000 -0.000000 7.404981\nTm Ta O\n6 2 14\ndirect\n0.056983 0.516345 0.250000 Tm\n0.483653 0.943016 0.750000 Tm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.943016 0.483653 0.750000 Tm\n0.516345 0.056983 0.250000 Tm\n0.499999 0.499999 0.000000 Ta\n0.499999 0.499999 0.500000 Ta\n0.825966 0.564491 0.462063 O\n0.435508 0.174032 0.962063 O\n0.435508 0.174032 0.537937 O\n0.825966 0.564491 0.037937 O\n0.412091 0.412091 0.250000 O\n0.587907 0.587907 0.750000 O\n0.564491 0.825966 0.037937 O\n0.174032 0.435508 0.962063 O\n0.564491 0.825966 0.462063 O\n0.845531 0.111332 0.750000 O\n0.111332 0.845531 0.750000 O\n0.154467 0.888666 0.250000 O\n0.174032 0.435508 0.537937 O\n0.888666 0.154467 0.250000 O\n",
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]
}