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{
"id": "jvasp-113019",
"created_at": "2022-09-04T14:38:44.789321Z",
"updated_at": "2022-09-04T14:38:44.789342Z",
"structure_string": "K2 Cd2 P6 O18\n1.0\n6.806659 -0.000000 0.000000\n-3.403329 5.894740 0.000000\n-0.000000 -0.000000 10.174247\nK Cd P O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 -0.000000 Cd\n0.666667 0.333333 0.500000 Cd\n0.062533 0.433541 0.750000 P\n0.062533 0.628993 0.250000 P\n0.566459 0.628993 0.750000 P\n0.566459 0.937467 0.250000 P\n0.371007 0.433541 0.250000 P\n0.371007 0.937467 0.750000 P\n0.380928 0.054275 0.876662 O\n0.301838 0.864062 0.250000 O\n0.135938 0.698162 0.750000 O\n0.562224 0.698162 0.250000 O\n0.135938 0.437776 0.250000 O\n0.673347 0.619072 0.876662 O\n0.673347 0.619072 0.623338 O\n0.673347 0.054275 0.376662 O\n0.945725 0.326653 0.623338 O\n0.380928 0.054275 0.623338 O\n0.380928 0.326653 0.376662 O\n0.673347 0.054275 0.123338 O\n0.562224 0.864062 0.750000 O\n0.945725 0.619072 0.376662 O\n0.380928 0.326653 0.123338 O\n0.945725 0.619072 0.123338 O\n0.945725 0.326653 0.876662 O\n0.301838 0.437776 0.750000 O\n",
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{
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"structure_string": "K2 Cd1 Sn1 Se4\n1.0\n-4.032579 4.032579 -3.510433\n4.032579 -4.032579 -3.510433\n-4.032579 -4.032579 3.510433\nK Cd Sn Se\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Sn\n0.940146 0.940146 0.349378 Se\n0.590769 0.590769 0.650622 Se\n0.059853 0.409231 0.000000 Se\n0.409231 0.059853 0.000000 Se\n",
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"formula_full": "K2 Cd1 Sn1 Se4",
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{
"id": "jvasp-104808",
"created_at": "2022-09-04T14:36:55.319585Z",
"updated_at": "2022-09-04T14:36:55.319614Z",
"structure_string": "K2 Ce1 Ag1 Br6\n1.0\n6.943457 -0.000000 4.008807\n2.314486 6.546354 4.008807\n-0.000000 -0.000000 8.017614\nK Ce Ag Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.753194 0.246807 0.246807 Br\n0.246807 0.246807 0.753193 Br\n0.246808 0.753193 0.753193 Br\n0.246808 0.753193 0.246807 Br\n0.753194 0.246807 0.753193 Br\n0.753194 0.753193 0.246807 Br\n",
"nsites": 10,
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"density_atomic": 0.02743971646391214,
"volume": 364.4352525709108,
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"spacegroup": 225
},
{
"id": "jvasp-103560",
"created_at": "2022-09-04T14:36:43.201504Z",
"updated_at": "2022-09-04T14:36:43.201522Z",
"structure_string": "K2 Ce1 Ag1 Cl6\n1.0\n6.602237 -0.000000 3.811803\n2.200746 6.224649 3.811803\n-0.000000 -0.000000 7.623607\nK Ce Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Ce\n0.000000 0.000000 0.000000 Ag\n0.752038 0.247963 0.247962 Cl\n0.247963 0.247963 0.752037 Cl\n0.247964 0.752037 0.752037 Cl\n0.247964 0.752037 0.247962 Cl\n0.752038 0.247963 0.752037 Cl\n0.752038 0.752037 0.247962 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.03191784214997454,
"volume": 313.30438796621394,
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"formula_full": "K2 Ce1 Ag1 Cl6",
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},
{
"id": "jvasp-106906",
"created_at": "2022-09-04T14:36:53.823434Z",
"updated_at": "2022-09-04T14:36:53.823455Z",
"structure_string": "K2 Ce1 Ag1 I6\n1.0\n7.438444 -0.000000 4.294587\n2.479481 7.013032 4.294587\n-0.000000 -0.000000 8.589175\nK Ce Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.754879 0.245120 0.245121 I\n0.245120 0.245120 0.754880 I\n0.245120 0.754880 0.754880 I\n0.245120 0.754880 0.245121 I\n0.754879 0.245120 0.754880 I\n0.754879 0.754880 0.245121 I\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ag-Ce-I-K",
"density": 4.0307138666301485,
"density_atomic": 0.022318275295385517,
"volume": 448.0632964531798,
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"formula_full": "K2 Ce1 Ag1 I6",
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{
"id": "jvasp-110908",
"created_at": "2022-09-04T14:38:43.261131Z",
"updated_at": "2022-09-04T14:38:43.261148Z",
"structure_string": "K2 Ce1 Cu2 S4\n1.0\n7.074150 0.012441 2.457444\n5.956528 3.816218 2.457444\n0.010244 0.003010 7.495934\nK Ce Cu S\n2 1 2 4\ndirect\n0.864231 0.864232 0.560358 K\n0.135768 0.135769 0.439641 K\n0.000000 0.000000 0.000000 Ce\n0.680193 0.680193 0.012900 Cu\n0.319807 0.319807 0.987099 Cu\n0.798104 0.798105 0.177361 S\n0.201895 0.201896 0.822637 S\n0.521619 0.521620 0.239533 S\n0.478380 0.478381 0.760466 S\n",
"nsites": 9,
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"density_atomic": 0.04461973707960705,
"volume": 201.70446060546934,
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"formula_full": "K2 Ce1 Cu2 S4",
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},
{
"id": "jvasp-98011",
"created_at": "2022-09-04T14:36:11.572612Z",
"updated_at": "2022-09-04T14:36:11.572640Z",
"structure_string": "K2 Ce2 Ge2 Se8\n1.0\n6.570765 0.000000 -2.134624\n0.000000 7.066268 0.000000\n-0.033853 0.000000 8.929054\nK Ce Ge Se\n2 2 2 8\ndirect\n0.248512 0.718208 0.938551 K\n0.751489 0.218208 0.061450 K\n0.732195 0.213034 0.555228 Ce\n0.267806 0.713035 0.444772 Ce\n0.716829 0.746383 0.315710 Ge\n0.283172 0.246383 0.684290 Ge\n0.917849 0.750958 0.144522 Se\n0.082152 0.250957 0.855478 Se\n0.492755 0.968883 0.719784 Se\n0.927575 0.805867 0.581424 Se\n0.072426 0.305867 0.418576 Se\n0.463459 0.991959 0.265963 Se\n0.536542 0.491959 0.734037 Se\n0.507246 0.468883 0.280216 Se\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.03381051507681705,
"volume": 414.07236678270596,
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"formula_full": "K2 Ce2 Ge2 Se8",
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},
{
"id": "jvasp-25580",
"created_at": "2022-09-04T14:38:18.502148Z",
"updated_at": "2022-09-04T14:38:18.502182Z",
"structure_string": "K4 Ce2 Si12 O30\n1.0\n7.844850 -0.000000 3.863570\n3.540670 8.779754 2.706929\n-0.001175 0.009866 9.898526\nK Ce Si O\n4 2 12 30\ndirect\n0.900384 0.345497 0.501363 K\n0.747243 0.154504 0.998638 K\n0.099617 0.654503 0.498638 K\n0.252757 0.845496 0.001363 K\n0.162694 0.250000 0.750000 Ce\n0.837306 0.750000 0.250000 Ce\n0.094272 0.188880 0.143314 Si\n0.743359 0.569831 0.879310 Si\n0.373042 0.920535 0.270672 Si\n0.573534 0.688880 0.643314 Si\n0.626959 0.079465 0.729328 Si\n0.905728 0.811120 0.856686 Si\n0.426466 0.311120 0.356686 Si\n0.435751 0.420536 0.770672 Si\n0.564249 0.579464 0.229328 Si\n0.807499 0.069831 0.379310 Si\n0.256641 0.430169 0.120690 Si\n0.192500 0.930169 0.620690 Si\n0.532125 0.538360 0.650619 O\n0.869710 0.659447 0.865391 O\n0.237409 0.316741 0.497283 O\n0.569699 0.920406 0.240421 O\n0.130583 0.582059 0.208246 O\n0.051433 0.183259 0.002717 O\n0.948568 0.816741 0.997283 O\n0.920888 0.917941 0.291754 O\n0.919426 0.187415 0.304318 O\n0.730526 0.579594 0.259580 O\n0.762591 0.683259 0.502717 O\n0.779030 0.035119 0.559082 O\n0.079112 0.082059 0.708246 O\n0.220970 0.964881 0.440919 O\n0.588842 0.687415 0.804318 O\n0.080574 0.812585 0.695683 O\n0.411159 0.312585 0.195683 O\n0.430301 0.079594 0.759580 O\n0.394547 0.840553 0.634610 O\n0.269475 0.420406 0.740421 O\n0.605453 0.159447 0.365391 O\n0.394082 0.750000 0.250000 O\n0.130291 0.340553 0.134609 O\n0.467876 0.461640 0.349382 O\n0.605918 0.250000 0.750000 O\n0.721104 0.961640 0.849382 O\n0.278896 0.038360 0.150618 O\n0.626771 0.535118 0.059082 O\n0.869417 0.417941 0.791754 O\n0.373229 0.464882 0.940919 O\n",
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"density_atomic": 0.07040861721959514,
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"formula_full": "K4 Ce2 Si12 O30",
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{
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"created_at": "2022-09-04T14:38:16.491502Z",
"updated_at": "2022-09-04T14:38:16.491535Z",
"structure_string": "K1 Cr2 Fe1 O8\n1.0\n4.964650 -0.051945 0.385746\n2.072175 4.511822 0.385746\n0.054734 0.034690 7.572732\nK Cr Fe O\n1 2 1 8\ndirect\n0.000000 0.000000 0.000000 K\n0.376235 0.376235 0.299329 Cr\n0.623763 0.623765 0.700672 Cr\n-0.000000 -0.000000 0.500000 Fe\n0.319820 0.319820 0.100661 O\n0.747360 0.231425 0.322935 O\n0.252638 0.768576 0.677066 O\n0.231423 0.747360 0.322935 O\n0.221944 0.221945 0.455562 O\n0.778054 0.778055 0.544439 O\n0.768575 0.252640 0.677066 O\n0.680178 0.680180 0.899340 O\n",
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{
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"created_at": "2022-09-04T14:38:36.885842Z",
"updated_at": "2022-09-04T14:38:36.885862Z",
"structure_string": "K2 Cr4 Fe2 O16\n1.0\n5.538074 -0.000153 -0.000136\n-2.768490 7.489545 3.617841\n0.000032 -0.140555 8.500062\nK Cr Fe O\n2 4 2 16\ndirect\n0.499980 0.000000 0.500001 K\n0.000020 -0.000000 0.000001 K\n0.645694 0.291359 0.974216 Cr\n0.145686 0.291359 0.474217 Cr\n0.854306 0.708642 0.525782 Cr\n0.354313 0.708641 0.025782 Cr\n0.750001 0.500002 0.250001 Fe\n0.249999 0.499998 0.749998 Fe\n0.906482 0.313757 0.353951 O\n0.406511 0.313769 0.853936 O\n0.092773 0.686202 0.146122 O\n0.592756 0.686214 0.646108 O\n0.407227 0.313798 0.353878 O\n0.907241 0.313785 0.853891 O\n0.274477 0.549002 0.956764 O\n0.451511 0.903171 0.864948 O\n0.225523 0.451000 0.543232 O\n0.725536 0.451000 0.043234 O\n0.093491 0.686230 0.646062 O\n0.951530 0.903173 0.364947 O\n0.048486 0.096829 0.635051 O\n0.548470 0.096829 0.135053 O\n0.774462 0.549000 0.456767 O\n0.593515 0.686243 0.146048 O\n",
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{
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"structure_string": "K4 Cr2 H4 F16\n1.0\n5.263758 0.000077 -0.012906\n0.000410 8.002211 -0.000320\n0.366375 0.000499 8.336375\nK Cr H F\n4 2 4 16\ndirect\n0.570004 0.313258 0.213375 K\n0.430002 0.813264 0.286625 K\n0.569997 0.186737 0.713374 K\n0.429996 0.686743 0.786625 K\n-0.000002 -0.000001 -0.000002 Cr\n-0.000000 0.500001 0.500000 Cr\n0.127356 0.336577 0.947581 H\n0.872645 0.836571 0.552416 H\n0.872647 0.663424 0.052418 H\n0.127353 0.163429 0.447586 H\n0.094328 0.726937 0.535206 F\n0.708556 0.930984 0.911323 F\n0.162425 0.994944 0.802366 F\n0.837578 0.494930 0.697625 F\n0.291447 0.430981 0.588696 F\n0.708152 0.896897 0.561193 F\n0.905670 0.273064 0.464794 F\n0.291442 0.069016 0.088678 F\n0.708553 0.569020 0.411303 F\n0.162424 0.505070 0.302373 F\n0.837580 0.005056 0.197631 F\n0.291835 0.396901 0.938811 F\n0.708164 0.603100 0.061189 F\n0.094335 0.773059 0.035220 F\n0.291847 0.103101 0.438808 F\n0.905663 0.226945 0.964781 F\n",
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{
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"created_at": "2022-09-04T14:36:52.181030Z",
"updated_at": "2022-09-04T14:36:52.181050Z",
"structure_string": "K1 Cr1 P2 S7\n1.0\n6.227738 0.017499 -0.561267\n-0.643143 6.377786 -0.742095\n0.023156 0.021007 6.452869\nK Cr P S\n1 1 2 7\ndirect\n0.500001 0.898561 0.101440 K\n0.000001 0.499930 0.500071 Cr\n0.919776 0.951530 0.643037 P\n0.080226 0.356964 0.048472 P\n0.000001 0.021941 0.978059 S\n0.233168 0.474201 0.816306 S\n0.714140 0.687245 0.633179 S\n0.285861 0.366822 0.312757 S\n0.819107 0.491538 0.148020 S\n0.180894 0.851981 0.508463 S\n0.766833 0.183695 0.525800 S\n",
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}