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{
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{
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{
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"structure_string": "Sr4 Co2 Se6 O18\n1.0\n7.145161 -0.043212 -0.003347\n-0.765716 7.728670 0.039019\n-2.258560 -2.215930 8.031710\nSr Co Se O\n4 2 6 18\ndirect\n0.620974 0.486426 0.806958 Sr\n0.379026 0.513574 0.193042 Sr\n0.759963 0.912182 0.604884 Sr\n0.240036 0.087818 0.395115 Sr\n0.090939 0.340725 0.751131 Co\n0.909061 0.659275 0.248869 Co\n0.781627 0.365307 0.410168 Se\n0.102229 0.796030 0.966870 Se\n0.629608 0.923183 0.198232 Se\n0.897770 0.203970 0.033130 Se\n0.218372 0.634694 0.589831 Se\n0.370391 0.076817 0.801768 Se\n0.815567 0.408182 0.072716 O\n0.336695 0.296930 0.887907 O\n0.849668 0.000309 0.352558 O\n0.518187 0.128554 0.683431 O\n0.481812 0.871446 0.316569 O\n0.127694 0.243993 0.169520 O\n0.872305 0.756007 0.830480 O\n0.184432 0.591818 0.927284 O\n0.229005 0.406815 0.599783 O\n0.059479 0.806353 0.158192 O\n0.533272 0.290493 0.351578 O\n0.466728 0.709507 0.648422 O\n0.770994 0.593185 0.400217 O\n0.663305 0.703070 0.112093 O\n0.839193 0.381226 0.622702 O\n0.160807 0.618774 0.377298 O\n0.940520 0.193647 0.841807 O\n0.150332 -0.000309 0.647441 O\n",
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{
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{
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"structure_string": "Mn4 P24 W2\n1.0\n7.797556 0.005506 3.511432\n5.666438 5.356621 3.511432\n-0.000708 -0.000282 10.636550\nMn P W\n4 24 2\ndirect\n0.010870 0.628301 0.045338 Mn\n0.371699 0.989130 0.454661 Mn\n0.989129 0.371700 0.954661 Mn\n0.628301 0.010871 0.545338 Mn\n0.403568 0.050936 0.924280 P\n0.949065 0.596432 0.575719 P\n0.596432 0.949065 0.075719 P\n0.050935 0.403569 0.424280 P\n0.421839 0.701281 0.833207 P\n0.298719 0.578161 0.666792 P\n0.578160 0.298720 0.166792 P\n0.701281 0.421840 0.333207 P\n0.354818 0.002081 0.664090 P\n0.997919 0.645183 0.835910 P\n0.645182 0.997920 0.335910 P\n0.002081 0.354818 0.164090 P\n0.331448 0.436216 0.502582 P\n0.436216 0.331448 0.002582 P\n0.668552 0.563785 0.497417 P\n0.076457 0.989875 0.574563 P\n0.010125 0.923544 0.925436 P\n0.923543 0.010126 0.425436 P\n0.989875 0.076457 0.074563 P\n0.671399 0.023893 0.740550 P\n0.976107 0.328602 0.759449 P\n0.328601 0.976108 0.259449 P\n0.023893 0.671399 0.240551 P\n0.563784 0.668553 0.997417 P\n0.303977 0.696024 0.250000 W\n0.696023 0.303977 0.750000 W\n",
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"created_at": "2022-09-04T14:38:50.694812Z",
"updated_at": "2022-09-04T14:38:50.694846Z",
"structure_string": "Nd4 Sc4 S12\n1.0\n6.476869 -0.000000 0.000000\n0.000000 7.166921 0.000000\n-0.000000 -0.000000 9.564540\nNd Sc S\n4 4 12\ndirect\n0.537296 0.400835 0.750000 Nd\n0.462704 0.599165 0.250000 Nd\n0.037296 0.099165 0.250000 Nd\n0.962704 0.900835 0.750000 Nd\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.128429 0.535676 0.750000 S\n0.871571 0.464323 0.250000 S\n0.676201 0.686430 0.938053 S\n0.323799 0.313570 0.438053 S\n0.176201 0.813570 0.438053 S\n0.176201 0.813570 0.061947 S\n0.676201 0.686430 0.561947 S\n0.323799 0.313570 0.061947 S\n0.371571 0.035676 0.750000 S\n0.823799 0.186430 0.561947 S\n0.823799 0.186430 0.938053 S\n0.628429 0.964323 0.250000 S\n",
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{
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"structure_string": "Rb2 Na1 Sb1 I6\n1.0\n7.415985 0.000000 4.281621\n2.471995 6.991859 4.281621\n0.000000 0.000000 8.563243\nRb Na Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751951 0.248049 0.248049 I\n0.248049 0.248049 0.751950 I\n0.248049 0.751951 0.751951 I\n0.248049 0.751951 0.248049 I\n0.751951 0.248049 0.751950 I\n0.751951 0.751951 0.248049 I\n",
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"structure_string": "Fe6 P4 H16 O24\n1.0\n10.382884 0.000000 -2.064133\n0.000000 4.702256 0.000000\n-0.121115 0.000000 9.121466\nFe P H O\n6 4 16 24\ndirect\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.668930 0.429007 0.326612 Fe\n0.831070 0.929008 0.673389 Fe\n0.331070 0.570994 0.673389 Fe\n0.168930 0.070993 0.326612 Fe\n0.449974 0.971269 0.238641 P\n0.050026 0.471268 0.761360 P\n0.949974 0.528733 0.238641 P\n0.550026 0.028732 0.761360 P\n0.674995 0.435173 0.614953 H\n0.407555 0.292332 0.445011 H\n0.592445 0.707669 0.554990 H\n0.907554 0.207668 0.445011 H\n0.325005 0.564828 0.385048 H\n0.174995 0.064827 0.614953 H\n0.825005 0.935174 0.385048 H\n0.092446 0.792333 0.554990 H\n0.238845 0.720857 0.911483 H\n0.738844 0.779145 0.911483 H\n0.761155 0.279144 0.088518 H\n0.142896 0.443385 0.057112 H\n0.357104 0.943385 0.942889 H\n0.857104 0.556616 0.942889 H\n0.642896 0.056616 0.057112 H\n0.261156 0.220856 0.088518 H\n0.968331 0.654906 0.635931 O\n0.468331 0.845095 0.635931 O\n0.031669 0.345095 0.364069 O\n0.668783 0.247788 0.101284 O\n0.168783 0.252212 0.101284 O\n0.331217 0.752213 0.898717 O\n0.531669 0.154905 0.364070 O\n0.825272 0.107815 0.451618 O\n0.674727 0.607815 0.548383 O\n0.831217 0.747789 0.898717 O\n0.327054 0.856908 0.286700 O\n0.405564 0.158857 0.094422 O\n0.672946 0.143092 0.713301 O\n0.827054 0.643093 0.286700 O\n0.094436 0.658858 0.905578 O\n0.594436 0.841144 0.905579 O\n0.905564 0.341143 0.094422 O\n0.032234 0.782103 0.201082 O\n0.467766 0.282102 0.798919 O\n0.967766 0.217898 0.798919 O\n0.532234 0.717899 0.201082 O\n0.174728 0.892186 0.548382 O\n0.172946 0.356908 0.713301 O\n0.325273 0.392186 0.451618 O\n",
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"formula_full": "Fe6 P4 H16 O24",
"formula_reduced": "Fe3P2(H2O3)4",
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},
{
"id": "jvasp-99254",
"created_at": "2022-09-04T14:35:46.887205Z",
"updated_at": "2022-09-04T14:35:46.887230Z",
"structure_string": "Rb4 V2 Ag2 S8\n1.0\n5.627716 -0.000000 1.412755\n2.813858 6.658142 0.706378\n0.014091 -0.000000 11.859265\nRb V Ag S\n4 2 2 8\ndirect\n0.444134 0.750000 0.111734 Rb\n0.194133 0.250000 0.611734 Rb\n0.805868 0.750000 0.388265 Rb\n0.555868 0.250000 0.888265 Rb\n0.625001 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.125000 0.750000 0.750000 Ag\n0.875001 0.250000 0.250000 Ag\n0.871765 0.553365 0.862299 S\n0.265937 0.946634 0.862299 S\n0.574872 0.553365 0.637700 S\n0.787429 0.946634 0.637700 S\n0.425130 0.446635 0.362299 S\n0.212572 0.053365 0.362299 S\n0.734064 0.053365 0.137700 S\n0.128237 0.446635 0.137701 S\n",
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"elements": [
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],
"chemical_system": "Ag-Rb-S-V",
"density": 3.4240189225770594,
"density_atomic": 0.036016917575038374,
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"volume_molar": 16.72031135772058,
"formula_full": "Rb4 V2 Ag2 S8",
"formula_reduced": "Rb2VAgS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 70
}
]
}