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{
"id": "jvasp-112272",
"created_at": "2022-09-04T14:38:26.231063Z",
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"structure_string": "Tl2 Sb2 P4 Se12\n1.0\n7.807242 -0.000000 0.000000\n0.000000 6.957693 0.102866\n-0.000000 -0.036020 10.093638\nTl Sb P Se\n2 2 4 12\ndirect\n0.777840 0.190383 0.000778 Tl\n0.277840 0.809616 -0.000778 Tl\n0.512772 0.309113 0.516895 Sb\n0.012772 0.690887 0.483106 Sb\n0.288343 0.302333 0.808417 P\n0.788343 0.697666 0.191583 P\n0.069773 0.194800 0.678482 P\n0.569773 0.805200 0.321518 P\n0.876702 0.432216 0.305605 Se\n0.376702 0.567783 0.694396 Se\n0.195737 0.340202 0.008055 Se\n0.695737 0.659798 0.991946 Se\n0.990610 0.916126 0.227516 Se\n0.972059 0.923747 0.765110 Se\n0.695187 0.851580 0.523556 Se\n0.195187 0.148420 0.476444 Se\n0.872304 0.429732 0.678514 Se\n0.472060 0.076253 0.234890 Se\n0.490610 0.083873 0.772485 Se\n0.372304 0.570268 0.321486 Se\n",
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{
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"structure_string": "Li8 Mg4 Si4 O16\n1.0\n0.000000 5.019720 -0.006511\n10.743622 0.000000 0.000000\n0.000000 -4.962428 -6.284907\nLi Mg Si O\n8 4 4 16\ndirect\n0.687650 0.837728 0.997402 Li\n0.312350 0.337728 0.502599 Li\n0.312350 0.162272 0.002599 Li\n0.687650 0.662272 0.497401 Li\n0.535600 0.925488 0.238114 Li\n0.464400 0.425488 0.261886 Li\n0.464400 0.074512 0.761886 Li\n0.535600 0.574512 0.738114 Li\n0.190900 0.834219 0.500675 Mg\n0.809100 0.165780 0.499325 Mg\n0.190900 0.665780 0.000675 Mg\n0.809100 0.334220 -0.000675 Mg\n0.935318 0.913922 0.749783 Si\n0.935318 0.586078 0.249783 Si\n0.064682 0.086078 0.250218 Si\n0.064682 0.413922 0.750218 Si\n0.956696 0.941209 0.249071 O\n0.043304 0.058790 0.750929 O\n0.604324 0.910388 0.748409 O\n0.395676 0.410388 0.751592 O\n0.395676 0.089612 0.251591 O\n0.043304 0.441209 0.250929 O\n0.172854 0.159666 0.466900 O\n0.172854 0.340334 0.966900 O\n0.256149 0.660199 0.462999 O\n0.604324 0.589612 0.248409 O\n0.743851 0.339801 0.537002 O\n0.256149 0.839801 0.962999 O\n0.743851 0.160199 0.037002 O\n0.956696 0.558790 0.749071 O\n0.827146 0.840334 0.533101 O\n0.827146 0.659666 0.033100 O\n",
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{
"id": "jvasp-56681",
"created_at": "2022-09-04T14:38:33.417231Z",
"updated_at": "2022-09-04T14:38:33.417248Z",
"structure_string": "K2 Ni2 As2 O8\n1.0\n4.859726 -0.000883 8.767925\n2.266687 4.298728 8.767925\n-0.001464 -0.000883 10.024642\nK Ni As O\n2 2 2 8\ndirect\n0.711246 0.711247 0.711242 K\n0.288755 0.288755 0.288754 K\n0.165391 0.165391 0.165390 Ni\n0.834611 0.834611 0.834606 Ni\n0.560439 0.560439 0.560436 As\n0.439563 0.439563 0.439560 As\n0.876164 0.536779 0.212177 O\n0.212180 0.876165 0.536776 O\n0.380435 0.380435 0.380433 O\n0.463222 0.787821 0.123834 O\n0.123837 0.463223 0.787819 O\n0.536779 0.212181 0.876161 O\n0.787821 0.123837 0.463220 O\n0.619567 0.619567 0.619563 O\n",
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{
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"created_at": "2022-09-04T14:38:33.381151Z",
"updated_at": "2022-09-04T14:38:33.381177Z",
"structure_string": "Cr2 Ag6 Cl2 O8\n1.0\n5.305908 0.000000 0.000000\n0.000000 7.364233 0.000000\n0.000000 0.000000 7.364171\nCr Ag Cl O\n2 6 2 8\ndirect\n0.999978 0.000000 0.000000 Cr\n0.000022 0.500000 0.500000 Cr\n0.109104 0.500000 0.000000 Ag\n0.500000 0.750000 0.250000 Ag\n0.500000 0.250000 0.250000 Ag\n0.890897 0.000000 0.500000 Ag\n0.500000 0.250000 0.750000 Ag\n0.500000 0.750000 0.750000 Ag\n0.635679 0.500000 0.000000 Cl\n0.364321 0.000000 0.500000 Cl\n0.189489 0.816958 0.000000 O\n0.189548 0.500000 0.683037 O\n0.189489 0.183041 0.000000 O\n0.189548 0.500000 0.316963 O\n0.810453 0.000000 0.183037 O\n0.810511 0.683041 0.500000 O\n0.810511 0.316959 0.500000 O\n0.810453 0.000000 0.816963 O\n",
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{
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"created_at": "2022-09-04T14:38:26.419623Z",
"updated_at": "2022-09-04T14:38:26.419655Z",
"structure_string": "Sr3 Pr1 Mn4 O12\n1.0\n6.268074 -0.000000 -2.216099\n-3.134037 5.428311 -2.216099\n-0.000000 -0.000000 6.648296\nSr Pr Mn O\n3 1 4 12\ndirect\n0.499999 0.500000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.499999 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.245752 0.245752 0.491504 O\n0.754247 0.754247 0.508496 O\n0.754247 0.000000 0.245752 O\n0.245752 0.491504 0.245752 O\n0.245752 0.000000 0.754248 O\n-0.000000 0.754247 0.245752 O\n0.508495 0.754247 0.754247 O\n-0.000000 0.245752 0.754248 O\n0.245752 0.754247 -0.000000 O\n0.491504 0.245752 0.245752 O\n0.754247 0.508496 0.754247 O\n0.754247 0.245752 -0.000000 O\n",
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"density_atomic": 0.08841395375075949,
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"formula_full": "Sr3 Pr1 Mn4 O12",
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{
"id": "jvasp-56724",
"created_at": "2022-09-04T14:38:33.363096Z",
"updated_at": "2022-09-04T14:38:33.363109Z",
"structure_string": "Ca10 W2 N8 O4\n1.0\n0.000000 6.106241 0.020448\n6.745988 0.000000 0.000000\n0.000000 -0.149402 -8.459461\nCa W N O\n10 2 8 4\ndirect\n0.267456 0.490560 0.665018 Ca\n0.497555 0.750000 0.982995 Ca\n0.732545 0.509440 0.334982 Ca\n0.502445 0.250000 0.017005 Ca\n0.000000 0.500000 0.000000 Ca\n0.806179 0.750000 0.671145 Ca\n0.000000 0.000000 0.000000 Ca\n0.267456 0.009440 0.665018 Ca\n0.732545 0.990560 0.334982 Ca\n0.193821 0.250000 0.328854 Ca\n0.718003 0.250000 0.677121 W\n0.281997 0.750000 0.322879 W\n0.335177 0.975322 0.190373 N\n0.028808 0.750000 0.446893 N\n0.664823 0.475322 0.809627 N\n0.971192 0.250000 0.553107 N\n0.335177 0.524678 0.190373 N\n0.664823 0.024678 0.809627 N\n0.494118 0.250000 0.523170 N\n0.505882 0.750000 0.476830 N\n0.807958 0.750000 0.128723 O\n0.151858 0.750000 0.829241 O\n0.192042 0.250000 0.871277 O\n0.848142 0.250000 0.170759 O\n",
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{
"id": "jvasp-118993",
"created_at": "2022-09-04T14:38:31.941332Z",
"updated_at": "2022-09-04T14:38:31.941369Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.860033 0.030478 1.055799\n1.413371 5.395543 1.046187\n-0.005324 0.037754 7.485069\nLi Mn Co O\n7 2 3 12\ndirect\n0.502042 0.825088 0.163937 Li\n0.492331 0.347574 0.159056 Li\n0.504427 0.498393 0.496279 Li\n0.497825 0.005142 0.494559 Li\n0.495905 0.175836 0.839170 Li\n0.507320 0.649832 0.846566 Li\n0.997449 0.498490 0.004448 Li\n0.002369 0.002630 0.003406 Mn\n0.001771 0.825686 0.669162 Mn\n-0.001989 0.170607 0.330348 Co\n0.000047 0.332442 0.668602 Co\n0.998533 0.666020 0.331374 Co\n0.773819 0.843104 0.904623 O\n0.230465 0.157335 0.089457 O\n0.228159 0.682877 0.089506 O\n0.221182 0.842762 0.421518 O\n0.211446 0.340748 0.420203 O\n0.231672 0.509740 0.737189 O\n0.223820 0.003367 0.753854 O\n0.770247 0.494042 0.260073 O\n0.778628 -0.005421 0.245470 O\n0.780872 0.157124 0.578188 O\n0.780095 0.660035 0.581401 O\n0.771566 0.316541 0.911620 O\n",
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{
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"created_at": "2022-09-04T14:38:33.337859Z",
"updated_at": "2022-09-04T14:38:33.337878Z",
"structure_string": "Sr2 Co1 Re1 O6\n1.0\n4.819796 -0.000001 -2.762964\n-1.583879 4.552116 -2.762965\n0.018556 0.026105 5.617749\nSr Co Re O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750001 0.250000 0.500001 Sr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.000000 Re\n0.702050 0.783129 0.000001 O\n0.216872 0.702050 -0.000000 O\n0.783129 0.297951 0.000001 O\n0.297951 0.216872 0.000000 O\n0.258352 0.258351 0.516703 O\n0.741649 0.741649 0.483298 O\n",
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"density_atomic": 0.08067757035002492,
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{
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"created_at": "2022-09-04T14:38:31.953550Z",
"updated_at": "2022-09-04T14:38:31.953567Z",
"structure_string": "Dy1 Bi2 I1 O4\n1.0\n3.939704 0.000000 -0.000000\n-0.000000 3.939704 -0.000000\n0.000000 -0.000000 9.638452\nDy Bi I O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.742071 Bi\n0.500000 0.500000 0.257928 Bi\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.142100 O\n0.500000 0.000000 0.142100 O\n0.000000 0.500000 0.857900 O\n0.500000 0.000000 0.857900 O\n",
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{
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"created_at": "2022-09-04T14:38:37.648129Z",
"updated_at": "2022-09-04T14:38:37.648153Z",
"structure_string": "Rb2 Y1 In1 Br6\n1.0\n7.182883 -0.000000 4.147039\n2.394294 6.772087 4.147039\n-0.000000 -0.000000 8.294079\nRb Y In Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500000 In\n0.763483 0.236516 0.236516 Br\n0.236516 0.236516 0.763484 Br\n0.236515 0.763484 0.763484 Br\n0.236515 0.763484 0.236516 Br\n0.763483 0.236516 0.763484 Br\n0.763483 0.763484 0.236517 Br\n",
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{
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"created_at": "2022-09-04T14:38:31.964268Z",
"updated_at": "2022-09-04T14:38:31.964294Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n6.186579 -0.036668 4.261594\n5.548645 2.736355 4.261594\n-0.033786 -0.007773 11.535178\nLi Mn Co O\n7 2 3 12\ndirect\n0.668697 0.668701 0.741755 Li\n0.000305 0.000306 0.257582 Li\n0.349408 0.349411 0.732878 Li\n0.651819 0.651821 0.274194 Li\n0.005342 0.005344 0.733558 Li\n0.326641 0.326642 0.257596 Li\n0.002136 0.002137 0.504135 Li\n-0.000493 -0.000493 0.000204 Mn\n0.339641 0.339643 0.496248 Mn\n0.332751 0.332754 0.999583 Co\n0.662917 0.662919 0.501242 Co\n0.666334 0.666335 0.000481 Co\n0.174047 0.174049 0.609149 O\n0.495025 0.495029 0.889878 O\n0.827424 0.827427 0.388903 O\n0.158653 0.158655 0.891098 O\n0.488714 0.488716 0.379058 O\n0.823968 0.823972 0.894725 O\n0.167154 0.167155 0.387684 O\n0.831574 0.831577 0.613186 O\n0.174896 0.174896 0.105526 O\n0.508992 0.508995 0.620917 O\n0.840242 0.840244 0.109167 O\n0.503788 0.503789 0.111253 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "jvasp-56722",
"created_at": "2022-09-04T14:38:31.966202Z",
"updated_at": "2022-09-04T14:38:31.966224Z",
"structure_string": "Mn2 Ni2 Bi4 O12\n1.0\n0.000000 5.401818 -0.002844\n5.640827 0.000000 0.000000\n0.000000 -5.366722 -7.643543\nMn Ni Bi O\n2 2 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.260399 0.942068 0.250773 Bi\n0.739601 0.442068 0.249226 Bi\n0.260399 0.557933 0.750773 Bi\n0.739601 0.057933 0.749226 Bi\n0.763201 0.711046 0.458194 O\n0.837863 0.023311 0.252788 O\n0.668292 0.192815 0.459889 O\n0.668292 0.307186 0.959889 O\n0.236799 0.288955 0.541806 O\n0.331708 0.807186 0.540110 O\n0.236799 0.211046 0.041806 O\n0.162137 0.523312 0.247211 O\n0.331708 0.692815 0.040111 O\n0.763201 0.788955 0.958193 O\n0.162137 0.976689 0.747211 O\n0.837863 0.476689 0.752788 O\n",
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}