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{
"id": "mp-1275616",
"created_at": "2022-09-04T14:39:06.344414Z",
"structure_string": "Li4 Cr2 Co2 O8\n1.0\n-5.971509 -0.165775 -0.030089\n-2.934850 -3.071966 4.068696\n-0.088508 5.973181 0.043306\nLi Cr Co O\n4 2 2 8\ndirect\n0.497879 0.003917 0.502425 Li\n0.998531 0.503399 0.003012 Li\n0.997870 0.504645 0.503040 Li\n0.997803 0.004227 0.502610 Li\n0.996984 0.005281 0.003846 Cr\n0.496926 0.505554 0.503856 Cr\n0.497668 0.004456 0.003242 Co\n0.497730 0.504330 0.003021 Co\n0.750832 0.013336 0.241836 O\n0.259157 0.513183 0.749801 O\n0.735002 0.497585 0.257770 O\n0.242876 0.997778 0.766004 O\n0.271663 0.481803 0.246267 O\n0.740483 0.027844 0.777261 O\n0.254582 0.981658 0.229140 O\n0.723532 0.527969 0.760365 O\n",
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"formula_full": "Li4 Cr2 Co2 O8",
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{
"id": "mp-683984",
"created_at": "2022-09-04T14:39:23.314415Z",
"structure_string": "Al8 Se32 Cl32\n1.0\n10.900110 0.000000 0.000000\n0.000000 13.890445 0.000000\n0.000000 0.000000 15.256675\nAl Se Cl\n8 32 32\ndirect\n0.265852 0.818801 0.112412 Al\n0.236721 0.008989 0.734838 Al\n0.763279 0.008989 0.234838 Al\n0.763279 0.508989 0.265162 Al\n0.236721 0.508989 0.765162 Al\n0.734148 0.318801 0.887588 Al\n0.265852 0.318801 0.387588 Al\n0.734148 0.818801 0.612412 Al\n0.272302 0.128028 0.998931 Se\n0.466365 0.227902 0.601585 Se\n0.913066 0.874347 0.958048 Se\n0.272302 0.628028 0.501069 Se\n0.398681 0.356469 0.128956 Se\n0.936565 0.131631 0.541562 Se\n0.086934 0.874347 0.458048 Se\n0.913066 0.374347 0.541952 Se\n0.727698 0.128028 0.498931 Se\n0.069667 0.752940 0.351919 Se\n0.376217 0.616096 0.366284 Se\n0.398681 0.856469 0.371044 Se\n0.727698 0.628028 0.001069 Se\n0.466365 0.727902 0.898415 Se\n0.601319 0.856469 0.871044 Se\n0.069667 0.252940 0.148081 Se\n0.930333 0.252940 0.648081 Se\n0.707989 0.351792 0.495063 Se\n0.063435 0.631631 0.458438 Se\n0.930333 0.752940 0.851919 Se\n0.533635 0.727902 0.398415 Se\n0.601319 0.356469 0.628956 Se\n0.936565 0.631631 0.958438 Se\n0.623783 0.116096 0.633716 Se\n0.623783 0.616096 0.866284 Se\n0.292011 0.851792 0.504937 Se\n0.707989 0.851792 0.004937 Se\n0.376217 0.116096 0.133716 Se\n0.063435 0.131631 0.041562 Se\n0.292011 0.351792 0.995063 Se\n0.533635 0.227902 0.101585 Se\n0.086934 0.374347 0.041952 Se\n0.760240 0.363715 0.022785 Cl\n0.784662 0.856106 0.221049 Cl\n0.590221 0.547958 0.206188 Cl\n0.213310 0.172138 0.369663 Cl\n0.767021 0.573153 0.395817 Cl\n0.239760 0.363715 0.522785 Cl\n0.456802 0.337917 0.354384 Cl\n0.786690 0.672138 0.630337 Cl\n0.543198 0.837917 0.645616 Cl\n0.213310 0.672138 0.130337 Cl\n0.839321 0.915924 0.693839 Cl\n0.093761 0.572393 0.686907 Cl\n0.839321 0.415924 0.806161 Cl\n0.784662 0.356106 0.278951 Cl\n0.215338 0.356106 0.778951 Cl\n0.409779 0.047958 0.793812 Cl\n0.093761 0.072393 0.813093 Cl\n0.232979 0.573153 0.895817 Cl\n0.786690 0.172138 0.869663 Cl\n0.160679 0.415924 0.306161 Cl\n0.906239 0.572393 0.186907 Cl\n0.456802 0.837917 0.145616 Cl\n0.906239 0.072393 0.313093 Cl\n0.232979 0.073153 0.604183 Cl\n0.239760 0.863715 0.977215 Cl\n0.409779 0.547958 0.706188 Cl\n0.767021 0.073153 0.104183 Cl\n0.590221 0.047958 0.293812 Cl\n0.160679 0.915924 0.193839 Cl\n0.543198 0.337917 0.854384 Cl\n0.760240 0.863715 0.477215 Cl\n0.215338 0.856106 0.721049 Cl\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Al",
"Se",
"Cl"
],
"chemical_system": "Al-Cl-Se",
"density": 2.787055489007619,
"density_atomic": 0.031169193249642024,
"volume": 2309.9731655976343,
"volume_molar": 19.320810493127418,
"formula_full": "Al8 Se32 Cl32",
"formula_reduced": "Al(SeCl)4",
"formula_anonymous": "AB4C4",
"energy": -275.28489154,
"energy_per_atom": -3.8234012713888887,
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"spacegroup": 29
},
{
"id": "mp-980663",
"created_at": "2022-09-04T14:39:34.508571Z",
"structure_string": "Yb4 Mg2\n1.0\n1.895220 6.270102 0.000000\n-1.895220 6.270102 0.000000\n0.000000 3.572065 8.708327\nYb Mg\n4 2\ndirect\n0.161905 0.161905 0.903501 Yb\n0.838095 0.838095 0.096499 Yb\n0.510012 0.510012 0.295242 Yb\n0.489988 0.489988 0.704758 Yb\n0.192904 0.192904 0.420163 Mg\n0.807096 0.807096 0.579837 Mg\n",
"nsites": 6,
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"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.943380327283399,
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"volume": 206.96597838750895,
"volume_molar": 20.772970906344945,
"formula_full": "Yb4 Mg2",
"formula_reduced": "Yb2Mg",
"formula_anonymous": "AB2",
"energy": -9.41424639,
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"updated_at": "2021-11-28T01:34:25.356000Z",
"spacegroup": 12
},
{
"id": "mp-1206476",
"created_at": "2022-09-04T14:39:32.237525Z",
"structure_string": "Dy2 Ga1 Co2\n1.0\n-4.074188 0.000000 0.000000\n0.000000 -5.434415 0.000000\n2.037094 2.717208 4.187241\nDy Ga Co\n2 1 2\ndirect\n0.793603 0.293603 0.587205 Dy\n0.206397 0.706397 0.412795 Dy\n0.000000 0.000000 0.000000 Ga\n0.500000 0.285962 0.000000 Co\n0.500000 0.714038 0.000000 Co\n",
"nsites": 5,
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"elements": [
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"Ga",
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],
"chemical_system": "Co-Dy-Ga",
"density": 9.181145851540903,
"density_atomic": 0.053932205537044454,
"volume": 92.70898436678334,
"volume_molar": 11.166131071468174,
"formula_full": "Dy2 Ga1 Co2",
"formula_reduced": "Dy2GaCo2",
"formula_anonymous": "AB2C2",
"energy": -28.51649795,
"energy_per_atom": -5.70329959,
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"updated_at": "2021-11-28T01:34:25.357000Z",
"spacegroup": 71
},
{
"id": "mp-1345171",
"created_at": "2022-09-04T14:39:39.041125Z",
"structure_string": "W10 O14\n1.0\n1.684848 -5.699347 0.000000\n1.684848 5.699347 0.000000\n0.000000 0.000000 18.689897\nW O\n10 14\ndirect\n0.728518 0.271482 0.578114 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.271482 0.728518 0.421886 W\n0.271482 0.728518 0.078114 W\n0.728518 0.271482 0.921886 W\n0.538821 0.461179 0.158122 W\n0.461179 0.538821 0.841878 W\n0.461179 0.538821 0.658122 W\n0.538821 0.461179 0.341878 W\n0.341805 0.658195 0.961442 O\n0.658195 0.341805 0.038558 O\n0.658195 0.341805 0.461442 O\n0.341805 0.658195 0.538558 O\n0.853266 0.146734 0.837753 O\n0.146734 0.853266 0.162247 O\n0.146734 0.853266 0.337753 O\n0.853266 0.146734 0.662247 O\n0.103362 0.896638 0.899287 O\n0.896638 0.103362 0.100713 O\n0.896638 0.103362 0.399287 O\n0.103362 0.896638 0.600713 O\n0.550963 0.449037 0.750000 O\n0.449037 0.550963 0.250000 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 9.541079153529589,
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"volume": 358.94072015541,
"volume_molar": 9.006631421965201,
"formula_full": "W10 O14",
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"energy": -221.11247736,
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"spacegroup": 63
},
{
"id": "mp-560160",
"created_at": "2022-09-04T14:39:27.786568Z",
"structure_string": "Li8 U20 Mo4 O76\n1.0\n20.259262 0.000000 0.000000\n0.000000 8.008432 0.000000\n0.000000 0.249696 10.218705\nLi U Mo O\n8 20 4 76\ndirect\n0.881555 0.743801 0.168027 Li\n0.393208 0.706509 0.338273 Li\n0.618445 0.743801 0.668027 Li\n0.606792 0.293491 0.661727 Li\n0.118445 0.256199 0.831973 Li\n0.381555 0.256199 0.331973 Li\n0.893208 0.293491 0.161727 Li\n0.106792 0.706509 0.838273 Li\n0.253373 0.720946 0.592559 U\n0.640202 0.026932 0.184969 U\n0.859798 0.026932 0.684969 U\n0.246627 0.720946 0.092559 U\n0.363967 0.481909 0.818989 U\n0.764198 0.770934 0.439407 U\n0.136033 0.481909 0.318989 U\n0.753373 0.279054 0.907441 U\n0.500000 0.500000 0.500000 U\n0.359798 0.973068 0.815031 U\n0.863967 0.518091 0.681011 U\n0.636033 0.518091 0.181011 U\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 U\n0.140202 0.973068 0.315031 U\n0.264198 0.229066 0.060593 U\n0.746627 0.279054 0.407441 U\n0.500000 0.000000 0.500000 U\n0.235802 0.229066 0.560593 U\n0.735802 0.770934 0.939407 U\n0.987931 0.206174 0.467923 Mo\n0.012069 0.793826 0.532077 Mo\n0.512069 0.206174 0.967923 Mo\n0.487931 0.793826 0.032077 Mo\n0.431427 0.453678 0.381114 O\n0.199562 0.938688 0.467346 O\n0.450525 0.367851 0.957190 O\n0.662632 0.771021 0.835420 O\n0.030754 0.747492 0.975712 O\n0.802848 0.491133 0.530902 O\n0.781878 0.990376 0.828796 O\n0.163090 0.227294 0.367170 O\n0.944944 0.972363 0.540490 O\n0.064326 0.067969 0.881987 O\n0.449395 0.780948 0.182642 O\n0.568573 0.546322 0.618886 O\n0.444944 0.027637 0.959510 O\n0.426341 0.457016 0.681834 O\n0.530754 0.252508 0.524288 O\n0.337368 0.228979 0.164580 O\n0.215083 0.445659 0.169959 O\n0.718122 0.990376 0.328796 O\n0.300438 0.938688 0.967346 O\n0.055056 0.027637 0.459510 O\n0.926341 0.542984 0.818166 O\n0.070622 0.718156 0.405947 O\n0.715083 0.554341 0.330041 O\n0.469246 0.747492 0.475712 O\n0.195094 0.234041 0.946931 O\n0.935674 0.932031 0.118013 O\n0.315561 0.713669 0.206304 O\n0.684439 0.286331 0.793696 O\n0.549475 0.632149 0.042810 O\n0.429378 0.718156 0.905947 O\n0.820817 0.272287 0.024929 O\n0.284917 0.445659 0.669959 O\n0.950525 0.632149 0.542810 O\n0.179183 0.727713 0.975071 O\n0.550605 0.219052 0.817358 O\n0.804906 0.765959 0.053069 O\n0.699562 0.061312 0.032654 O\n0.422705 0.015535 0.679280 O\n0.336910 0.227294 0.867170 O\n0.695094 0.765959 0.553069 O\n0.218122 0.009624 0.171204 O\n0.697152 0.491133 0.030902 O\n0.949395 0.219052 0.317358 O\n0.931427 0.546322 0.118886 O\n0.073659 0.457016 0.181834 O\n0.077295 0.015535 0.179280 O\n0.922705 0.984465 0.820720 O\n0.663090 0.772706 0.132830 O\n0.435674 0.067969 0.381987 O\n0.573659 0.542984 0.318166 O\n0.050605 0.780948 0.682642 O\n0.049475 0.367851 0.457190 O\n0.330287 0.725385 0.751079 O\n0.320817 0.727713 0.475071 O\n0.837368 0.771021 0.335420 O\n0.929378 0.281844 0.594053 O\n0.830287 0.274615 0.748921 O\n0.304906 0.234041 0.446931 O\n0.302848 0.508867 0.969098 O\n0.815561 0.286331 0.293696 O\n0.197152 0.508867 0.469098 O\n0.169713 0.725385 0.251079 O\n0.184439 0.713669 0.706304 O\n0.555056 0.972363 0.040490 O\n0.577295 0.984465 0.320720 O\n0.564326 0.932031 0.618013 O\n0.669713 0.274615 0.248921 O\n0.281878 0.009624 0.671204 O\n0.800438 0.061312 0.532654 O\n0.162632 0.228979 0.664580 O\n0.068573 0.453678 0.881114 O\n0.836910 0.772706 0.632830 O\n0.570622 0.281844 0.094053 O\n0.679183 0.272287 0.524929 O\n0.784917 0.554341 0.830041 O\n0.969246 0.252508 0.024288 O\n",
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"formula_full": "Li8 U20 Mo4 O76",
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{
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"created_at": "2022-09-04T14:39:32.491848Z",
"structure_string": "Cs1 Cd1 F3\n1.0\n4.562855 0.000000 0.000000\n0.000000 4.562855 0.000000\n0.000000 0.000000 4.562855\nCs Cd F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
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{
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{
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{
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}