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{
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{
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{
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{
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"created_at": "2022-09-04T14:44:55.388152Z",
"structure_string": "Pa1 Tl1 O3\n1.0\n4.405575 0.000000 0.000000\n0.000000 4.405575 0.000000\n0.000000 0.000000 4.405575\nPa Tl O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-1175797",
"created_at": "2022-09-04T14:44:55.395373Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.774872 0.000000 0.000000\n-2.883083 5.088129 0.000000\n-1.439546 -0.934711 9.588391\nLi Mn Co O\n9 2 5 16\ndirect\n0.248322 0.119845 0.747802 Li\n0.246119 0.875233 0.250784 Li\n0.244408 0.628261 0.740546 Li\n0.749785 0.122462 0.745978 Li\n0.754741 0.873427 0.256750 Li\n0.751271 0.624547 0.749158 Li\n0.251422 0.375455 0.254628 Li\n0.754284 0.384873 0.254080 Li\n0.999991 0.750213 0.499858 Li\n0.999875 0.998719 0.999946 Mn\n0.500953 0.251160 0.500443 Mn\n0.000233 0.498631 0.000299 Co\n0.000112 0.250619 0.500371 Co\n0.500334 0.999030 0.000407 Co\n0.499715 0.750070 0.498875 Co\n0.498942 0.500563 0.999787 Co\n0.113832 0.291138 0.884865 O\n0.137316 0.086557 0.391351 O\n0.119255 0.818642 0.881455 O\n0.635495 0.306094 0.885158 O\n0.645772 0.100079 0.382711 O\n0.643813 0.823328 0.882606 O\n0.140833 0.548952 0.396246 O\n0.608641 0.553535 0.391527 O\n0.391048 0.945754 0.606966 O\n0.365167 0.695957 0.116944 O\n0.356256 0.402890 0.618280 O\n0.857534 0.950198 0.601600 O\n0.884619 0.705547 0.118293 O\n0.864402 0.415793 0.610207 O\n0.354618 0.174119 0.116117 O\n0.880891 0.178309 0.115962 O\n",
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{
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{
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{
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{
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"structure_string": "Li8 Mn4 Fe4 B8 O24\n1.0\n-5.235626 0.000000 0.000000\n2.613147 4.539902 0.000000\n-0.318474 -0.683914 -20.835625\nLi Mn Fe B O\n8 4 4 8 24\ndirect\n0.013822 0.674004 0.334133 Li\n0.976617 0.652447 0.084435 Li\n0.025124 0.680582 0.832164 Li\n0.978085 0.648167 0.584473 Li\n0.020464 0.347861 0.207701 Li\n0.988537 0.334988 0.458119 Li\n0.014502 0.362877 0.708019 Li\n0.988727 0.336036 0.958860 Li\n0.660954 0.669067 0.441727 Mn\n0.664564 0.668081 0.941524 Mn\n0.323353 0.321430 0.068659 Mn\n0.675990 0.004759 0.815734 Mn\n0.316511 0.313804 0.565508 Fe\n0.679041 0.006587 0.316406 Fe\n0.334282 0.995957 0.192933 Fe\n0.343710 0.016380 0.689908 Fe\n0.657589 0.995397 0.064678 B\n0.659999 0.991354 0.563943 B\n0.671884 0.670687 0.189915 B\n0.663085 0.674645 0.686113 B\n0.332468 0.334712 0.312237 B\n0.341075 0.341556 0.811229 B\n0.335233 0.002380 0.437701 B\n0.336959 0.003072 0.938014 B\n0.687778 0.936666 0.208604 O\n0.677590 0.939474 0.706587 O\n0.678596 0.744281 0.048794 O\n0.389778 0.964796 0.085592 O\n0.674364 0.736478 0.548875 O\n0.394882 0.973207 0.582473 O\n0.400242 0.419866 0.175889 O\n0.085121 0.727575 0.430503 O\n0.388098 0.424650 0.672041 O\n0.087952 0.728293 0.930269 O\n0.925981 0.651850 0.182517 O\n0.918576 0.661364 0.679385 O\n0.081033 0.358989 0.305923 O\n0.095108 0.372149 0.804625 O\n0.903158 0.271468 0.057462 O\n0.596921 0.581030 0.331626 O\n0.912202 0.265658 0.557650 O\n0.609853 0.579271 0.832351 O\n0.612001 0.036489 0.422117 O\n0.613814 0.037340 0.922189 O\n0.314077 0.245695 0.459423 O\n0.314986 0.245722 0.960159 O\n0.316698 0.063299 0.298734 O\n0.318620 0.068760 0.795878 O\n",
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{
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"structure_string": "Si8 Ag20 O26\n1.0\n8.021849 -0.030331 -1.206007\n-2.262556 8.334324 -3.673766\n0.035486 -0.066497 11.601432\nSi Ag O\n8 20 26\ndirect\n0.778862 0.420733 0.755427 Si\n0.221138 0.579267 0.244573 Si\n0.267957 0.919416 0.245023 Si\n0.557300 0.484444 0.250324 Si\n0.916658 0.023614 0.251322 Si\n0.732043 0.080584 0.754977 Si\n0.442700 0.515556 0.749676 Si\n0.083342 0.976386 0.748678 Si\n0.110754 0.593764 0.641639 Ag\n0.159128 0.409234 0.916636 Ag\n0.576630 0.124070 0.161011 Ag\n0.334066 0.371519 0.432728 Ag\n0.213822 0.171272 0.070146 Ag\n0.150827 0.731451 0.928603 Ag\n0.320200 0.078984 0.569513 Ag\n0.849173 0.268549 0.071397 Ag\n0.840872 0.590766 0.083364 Ag\n0.679800 0.921016 0.430487 Ag\n0.786178 0.828728 0.929854 Ag\n0.985994 0.818361 0.429050 Ag\n0.560932 0.731776 0.083988 Ag\n0.439068 0.268224 0.916012 Ag\n0.632934 0.237195 0.447991 Ag\n0.423370 0.875930 0.838989 Ag\n0.665934 0.628481 0.567272 Ag\n0.889246 0.406236 0.358361 Ag\n0.014006 0.181639 0.570950 Ag\n0.367066 0.762805 0.552009 Ag\n0.594735 0.976520 0.613225 O\n0.620050 0.432176 0.114449 O\n0.724550 0.581957 0.377074 O\n0.356353 0.893574 0.123414 O\n0.830669 0.259355 0.763454 O\n0.883858 0.579236 0.890203 O\n0.185833 0.968675 0.879321 O\n0.275450 0.418043 0.622926 O\n0.643647 0.106426 0.876586 O\n0.405265 0.023480 0.386775 O\n0.433326 0.611086 0.254897 O\n0.169331 0.740645 0.236546 O\n0.116142 0.420764 0.109797 O\n0.814167 0.031325 0.120679 O\n0.174641 0.566637 0.373137 O\n0.825359 0.433363 0.626863 O\n0.183421 0.138340 0.734652 O\n0.561738 0.676381 0.743884 O\n0.933561 0.190014 0.380387 O\n0.112868 0.008678 0.231758 O\n0.887132 0.991322 0.768242 O\n0.379950 0.567824 0.885551 O\n0.066439 0.809986 0.619613 O\n0.816579 0.861660 0.265348 O\n0.438262 0.323619 0.256116 O\n0.566674 0.388914 0.745103 O\n",
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"elements": [
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],
"chemical_system": "Ag-O-Si",
"density": 6.010221920033758,
"density_atomic": 0.06985257677304214,
"volume": 773.0566644012473,
"volume_molar": 8.62121490459332,
"formula_full": "Si8 Ag20 O26",
"formula_reduced": "Si4Ag10O13",
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"updated_at": "2021-11-28T01:36:48.024000Z",
"spacegroup": 2
},
{
"id": "mp-1302578",
"created_at": "2022-09-04T14:44:56.309549Z",
"structure_string": "Li8 Mn6 Nb2 O16\n1.0\n5.281763 -1.678355 2.645925\n1.782898 -2.729608 -5.346975\n3.408735 7.400381 -2.638087\nLi Mn Nb O\n8 6 2 16\ndirect\n0.998361 0.007372 0.500013 Li\n0.501760 0.492492 0.000037 Li\n0.500826 0.009199 0.000287 Li\n0.999157 0.490827 0.499561 Li\n0.749834 0.249918 0.749971 Li\n0.249882 0.749727 0.250004 Li\n0.250120 0.249961 0.249980 Li\n0.750180 0.749709 0.749977 Li\n0.250054 0.749586 0.750092 Mn\n0.498502 0.004056 0.501120 Mn\n0.001369 0.495881 0.998923 Mn\n0.750172 0.250140 0.250003 Mn\n0.249898 0.250033 0.750021 Mn\n0.750039 0.750528 0.250028 Mn\n0.498693 0.510044 0.499169 Nb\n0.001333 0.989858 0.000705 Nb\n0.031848 0.475596 0.752240 O\n0.533040 0.020560 0.253372 O\n0.467767 0.024479 0.747743 O\n0.966951 0.479896 0.246627 O\n0.985843 0.998597 0.764185 O\n0.485131 0.502029 0.263243 O\n0.514073 0.501324 0.735885 O\n0.015070 0.998106 0.236759 O\n0.261489 0.268309 0.512567 O\n0.766387 0.767449 0.992939 O\n0.238509 0.231766 0.987389 O\n0.733638 0.732551 0.507024 O\n0.762383 0.230341 0.015009 O\n0.263836 0.730263 0.493809 O\n0.737663 0.269714 0.485085 O\n0.236199 0.769684 0.006236 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.170594214275528,
"density_atomic": 0.09718844048207143,
"volume": 329.2572639428566,
"volume_molar": 6.196354967863609,
"formula_full": "Li8 Mn6 Nb2 O16",
"formula_reduced": "Li4Mn3NbO8",
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"updated_at": "2021-11-28T01:36:45.632000Z",
"spacegroup": 13
},
{
"id": "mp-1037482",
"created_at": "2022-09-04T14:44:56.336244Z",
"structure_string": "Mg30 Zn1 Co1 O32\n1.0\n8.523115 0.000000 0.000000\n0.000000 8.523115 0.000000\n0.000000 0.000000 8.511027\nMg Zn Co O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250526 0.250526 0.000000 Mg\n0.749474 0.250526 0.000000 Mg\n0.250526 0.749474 0.000000 Mg\n0.749474 0.749474 0.000000 Mg\n0.249981 0.249981 0.500000 Mg\n0.750019 0.249981 0.500000 Mg\n0.249981 0.750019 0.500000 Mg\n0.750019 0.750019 0.500000 Mg\n0.249980 0.000000 0.249759 Mg\n0.750020 0.000000 0.249759 Mg\n0.249956 0.500000 0.249365 Mg\n0.750044 0.500000 0.249365 Mg\n0.249980 0.000000 0.750241 Mg\n0.750020 0.000000 0.750241 Mg\n0.249956 0.500000 0.750635 Mg\n0.750044 0.500000 0.750635 Mg\n0.000000 0.249980 0.249759 Mg\n0.500000 0.249956 0.249365 Mg\n0.000000 0.750020 0.249759 Mg\n0.500000 0.750044 0.249365 Mg\n0.000000 0.249980 0.750241 Mg\n0.500000 0.249956 0.750635 Mg\n0.000000 0.750020 0.750241 Mg\n0.500000 0.750044 0.750635 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.253535 O\n0.500000 0.000000 0.250460 O\n0.000000 0.500000 0.250460 O\n0.500000 0.500000 0.250422 O\n0.000000 0.000000 0.746465 O\n0.500000 0.000000 0.749540 O\n0.000000 0.500000 0.749540 O\n0.500000 0.500000 0.749578 O\n0.250140 0.250140 0.249699 O\n0.749860 0.250140 0.249699 O\n0.250140 0.749860 0.249699 O\n0.749860 0.749860 0.249699 O\n0.250140 0.250140 0.750301 O\n0.749860 0.250140 0.750301 O\n0.250140 0.749860 0.750301 O\n0.749860 0.749860 0.750301 O\n0.253205 0.000000 0.000000 O\n0.746795 0.000000 0.000000 O\n0.247073 0.500000 0.000000 O\n0.752927 0.500000 0.000000 O\n0.250255 0.000000 0.500000 O\n0.749745 0.000000 0.500000 O\n0.250369 0.500000 0.500000 O\n0.749631 0.500000 0.500000 O\n0.000000 0.253205 0.000000 O\n0.500000 0.247073 0.000000 O\n0.000000 0.746795 0.000000 O\n0.500000 0.752927 0.000000 O\n0.000000 0.250255 0.500000 O\n0.500000 0.250369 0.500000 O\n0.000000 0.749745 0.500000 O\n0.500000 0.749631 0.500000 O\n",
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],
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"formula_full": "Mg30 Zn1 Co1 O32",
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"updated_at": "2021-11-28T01:36:43.706000Z",
"spacegroup": 123
}
]
}