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{
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"results": [
{
"id": "mp-1016069",
"created_at": "2022-09-04T14:45:23.611210Z",
"structure_string": "Cr4 N8\n1.0\n-4.992443 0.000000 0.000000\n1.719108 4.764281 0.000000\n-0.045796 -1.374406 -6.715298\nCr N\n4 8\ndirect\n0.214366 0.119320 0.915048 Cr\n0.311604 0.997190 0.474568 Cr\n0.504069 0.662405 0.803808 Cr\n0.782864 0.416351 0.187682 Cr\n0.251915 0.246899 0.669640 N\n0.429147 0.773302 0.560977 N\n0.988834 0.731808 0.316956 N\n0.835826 0.865246 0.816269 N\n0.045491 0.248331 0.098067 N\n0.580611 0.436210 0.982440 N\n0.345757 0.860117 0.966877 N\n0.574236 0.202622 0.341598 N\n",
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{
"id": "mp-1100615",
"created_at": "2022-09-04T14:45:23.614275Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.443450 19.278399 0.000000\n-1.443450 19.278399 0.000000\n0.000000 0.088804 5.197928\nLi Mn Co O\n9 2 5 16\ndirect\n0.434049 0.434049 0.197511 Li\n0.314187 0.314187 0.556699 Li\n0.188813 0.188813 0.936119 Li\n0.061795 0.061795 0.314123 Li\n0.934269 0.934269 0.700173 Li\n0.815113 0.815113 0.049342 Li\n0.688149 0.688149 0.436918 Li\n0.563166 0.563166 0.813022 Li\n0.874618 0.874618 0.375547 Li\n0.999584 0.999584 0.003296 Mn\n0.625191 0.625191 0.124418 Mn\n0.750654 0.750654 0.747535 Co\n0.498897 0.498897 0.504095 Co\n0.374822 0.374822 0.874501 Co\n0.250899 0.250899 0.247810 Co\n0.125275 0.125275 0.623948 Co\n0.471011 0.471011 0.867621 O\n0.348259 0.348259 0.162412 O\n0.221733 0.221733 0.592031 O\n0.095913 0.095913 0.988669 O\n0.970841 0.970841 0.368750 O\n0.847130 0.847130 0.730393 O\n0.721868 0.721868 0.094011 O\n0.596568 0.596568 0.495965 O\n0.401660 0.401660 0.584979 O\n0.278756 0.278756 0.901153 O\n0.154174 0.154174 0.260031 O\n0.027699 0.027699 0.633953 O\n0.902689 0.902689 0.018643 O\n0.779777 0.779777 0.402462 O\n0.653578 0.653578 0.753644 O\n0.528862 0.528862 0.140229 O\n",
"nsites": 32,
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"elements": [
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"Co",
"O"
],
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"density": 4.150068931058359,
"density_atomic": 0.11061576158846861,
"volume": 289.2896956136485,
"volume_molar": 5.4441977106342065,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.7508444,
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"updated_at": "2021-11-28T01:37:03.616000Z",
"spacegroup": 8
},
{
"id": "mp-643934",
"created_at": "2022-09-04T14:45:23.615154Z",
"structure_string": "Cu2 H4 C4 O8\n1.0\n7.982289 0.000000 0.000000\n0.000000 6.326653 0.000000\n0.000000 1.583134 7.943361\nCu H C O\n2 4 4 8\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.812229 0.078157 0.299623 H\n0.312229 0.921843 0.200377 H\n0.187771 0.921843 0.700377 H\n0.687771 0.078157 0.799623 H\n0.732204 0.974223 0.238112 C\n0.232204 0.025777 0.261888 C\n0.267796 0.025777 0.761888 C\n0.767796 0.974223 0.738112 C\n0.587308 0.920134 0.296252 O\n0.087308 0.079866 0.203748 O\n0.412692 0.079866 0.703748 O\n0.912692 0.920134 0.796252 O\n0.287052 0.089281 0.391597 O\n0.787052 0.910719 0.108403 O\n0.712948 0.910719 0.608403 O\n0.212948 0.089281 0.891597 O\n",
"nsites": 18,
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"elements": [
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-O",
"density": 1.2714827774291755,
"density_atomic": 0.0448711026790335,
"volume": 401.14904527208535,
"volume_molar": 13.420977868711727,
"formula_full": "Cu2 H4 C4 O8",
"formula_reduced": "CuH2(CO2)2",
"formula_anonymous": "AB2C2D4",
"energy": -117.69978112,
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"spacegroup": 14
},
{
"id": "mp-759321",
"created_at": "2022-09-04T14:45:23.620327Z",
"structure_string": "Li16 Fe8 Si8 O40\n1.0\n6.666645 11.254646 0.000000\n-6.309930 11.164186 0.000000\n0.000000 0.000000 5.068249\nLi Fe Si O\n16 8 8 40\ndirect\n0.340625 0.822452 0.723604 Li\n0.085040 0.572865 0.768413 Li\n0.160036 0.662157 0.209600 Li\n0.581425 0.837056 0.726755 Li\n0.418575 0.662944 0.226755 Li\n0.839964 0.837843 0.709600 Li\n0.340625 0.322452 0.776396 Li\n0.085040 0.072865 0.731587 Li\n0.914960 0.927135 0.268413 Li\n0.659375 0.677548 0.223604 Li\n0.160036 0.162158 0.290400 Li\n0.581425 0.337056 0.773245 Li\n0.418575 0.162944 0.273245 Li\n0.839964 0.337842 0.790400 Li\n0.914960 0.427135 0.231587 Li\n0.659375 0.177548 0.276396 Li\n0.065386 0.812733 0.730496 Fe\n0.432740 0.881958 0.271920 Fe\n0.065386 0.312733 0.769504 Fe\n0.567260 0.618042 0.771920 Fe\n0.432740 0.381958 0.228080 Fe\n0.934614 0.687267 0.230496 Fe\n0.567260 0.118042 0.728080 Fe\n0.934614 0.187267 0.269504 Fe\n0.161481 0.908103 0.225830 Si\n0.661470 0.925584 0.218723 Si\n0.161481 0.408103 0.274170 Si\n0.338530 0.574416 0.718723 Si\n0.661470 0.425584 0.281277 Si\n0.838519 0.591897 0.725830 Si\n0.338530 0.074416 0.781277 Si\n0.838519 0.091897 0.774170 Si\n0.139736 0.905389 0.907528 O\n0.995185 0.789207 0.018486 O\n0.121449 0.822854 0.385416 O\n0.391583 0.947216 0.620439 O\n0.301931 0.846927 0.300021 O\n0.092349 0.545377 0.154237 O\n0.199274 0.650981 0.806589 O\n0.644156 0.953029 0.900240 O\n0.484327 0.790217 0.983918 O\n0.139736 0.405389 0.592472 O\n0.995185 0.289207 0.481514 O\n0.596924 0.852179 0.324977 O\n0.403076 0.647821 0.824977 O\n0.121449 0.322854 0.114584 O\n0.515673 0.709783 0.483918 O\n0.355844 0.546971 0.400240 O\n0.391583 0.447216 0.879561 O\n0.301931 0.346927 0.199979 O\n0.800726 0.849019 0.306589 O\n0.907651 0.954623 0.654237 O\n0.092349 0.045377 0.345763 O\n0.199274 0.150981 0.693411 O\n0.698069 0.653073 0.800021 O\n0.608417 0.552784 0.120439 O\n0.644156 0.453029 0.599760 O\n0.484327 0.290217 0.516082 O\n0.878551 0.677146 0.885416 O\n0.596924 0.352179 0.175023 O\n0.403076 0.147821 0.675023 O\n0.004815 0.710793 0.518486 O\n0.860264 0.594611 0.407528 O\n0.515673 0.209783 0.016082 O\n0.355844 0.046971 0.099760 O\n0.800726 0.349019 0.193411 O\n0.907651 0.454623 0.845763 O\n0.698069 0.153073 0.699979 O\n0.608417 0.052784 0.379561 O\n0.878551 0.177146 0.614584 O\n0.004815 0.210793 0.981514 O\n0.860264 0.094611 0.092472 O\n",
"nsites": 72,
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"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.204359307047788,
"density_atomic": 0.0976741541897022,
"volume": 737.1448526716904,
"volume_molar": 6.165541754581085,
"formula_full": "Li16 Fe8 Si8 O40",
"formula_reduced": "Li2FeSiO5",
"formula_anonymous": "ABC2D5",
"energy": -505.02787738,
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"updated_at": "2021-11-28T01:37:03.094000Z",
"spacegroup": 14
},
{
"id": "mp-1342988",
"created_at": "2022-09-04T14:45:23.630632Z",
"structure_string": "Mg2 Co4 S10\n1.0\n3.608246 0.000000 0.000000\n0.000000 6.373904 0.000000\n0.000000 0.000000 13.256700\nMg Co S\n2 4 10\ndirect\n0.500000 0.113734 0.000000 Mg\n0.000000 0.886266 0.500000 Mg\n0.000000 0.544474 0.851347 Co\n0.500000 0.455526 0.648653 Co\n0.500000 0.455526 0.351347 Co\n0.000000 0.544474 0.148653 Co\n0.500000 0.618581 0.500000 S\n0.000000 0.381419 0.000000 S\n0.500000 0.360538 0.807771 S\n0.000000 0.639462 0.692229 S\n0.500000 0.360538 0.192229 S\n0.000000 0.639462 0.307771 S\n0.000000 0.852307 0.080982 S\n0.500000 0.147693 0.419018 S\n0.500000 0.147693 0.580982 S\n0.000000 0.852307 0.919018 S\n",
"nsites": 16,
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"elements": [
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"Co",
"S"
],
"chemical_system": "Co-Mg-S",
"density": 3.2950514791502865,
"density_atomic": 0.05247867936737132,
"volume": 304.885721075291,
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"formula_full": "Mg2 Co4 S10",
"formula_reduced": "MgCo2S5",
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"energy": -85.1167145,
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"updated_at": "2021-11-28T01:37:05.948000Z",
"spacegroup": 59
},
{
"id": "mp-26143",
"created_at": "2022-09-04T14:45:23.624646Z",
"structure_string": "Li6 Mn6 P8 O32\n1.0\n8.165131 0.000000 0.000000\n0.000000 7.723990 0.000000\n0.000000 0.478307 10.003539\nLi Mn P O\n6 6 8 32\ndirect\n0.369471 0.666102 0.174884 Li\n0.869471 0.333898 0.825116 Li\n0.141858 0.152887 0.423180 Li\n0.136654 0.162224 0.922657 Li\n0.641858 0.847113 0.576820 Li\n0.636654 0.837776 0.077343 Li\n0.361040 0.659330 0.688406 Mn\n0.861040 0.340670 0.311594 Mn\n0.492532 0.245421 0.377782 Mn\n0.511093 0.221485 0.877356 Mn\n0.992532 0.754579 0.622218 Mn\n0.011093 0.778515 0.122644 Mn\n0.806475 0.943115 0.359214 P\n0.821467 0.940475 0.860029 P\n0.321467 0.059525 0.139971 P\n0.306475 0.056885 0.640786 P\n0.682108 0.439598 0.102087 P\n0.682122 0.433918 0.615543 P\n0.182122 0.566082 0.384457 P\n0.182108 0.560402 0.897913 P\n0.880058 0.796910 0.967332 O\n0.863178 0.800200 0.465078 O\n0.819065 0.867416 0.218177 O\n0.433445 0.904938 0.148783 O\n0.817144 0.847074 0.722612 O\n0.421760 0.895565 0.637176 O\n0.149047 0.703339 0.776659 O\n0.127631 0.713286 0.284072 O\n0.175990 0.638983 0.529238 O\n0.560867 0.591508 0.614091 O\n0.190237 0.655922 0.029190 O\n0.567512 0.589943 0.099050 O\n0.854924 0.491178 0.648834 O\n0.359878 0.509875 0.847456 O\n0.859878 0.490125 0.152544 O\n0.354924 0.508822 0.351166 O\n0.060867 0.408492 0.385909 O\n0.675990 0.361017 0.470762 O\n0.067512 0.410057 0.900950 O\n0.627631 0.286714 0.715928 O\n0.690237 0.344078 0.970810 O\n0.649047 0.296661 0.223341 O\n0.363178 0.199800 0.534922 O\n0.380058 0.203090 0.032668 O\n0.319065 0.132584 0.781823 O\n0.933445 0.095062 0.851217 O\n0.317144 0.152926 0.277388 O\n0.921760 0.104435 0.362824 O\n0.632176 0.993796 0.397199 O\n0.132176 0.006204 0.602801 O\n0.142268 0.018386 0.102673 O\n0.642268 0.981614 0.897327 O\n",
"nsites": 52,
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"volume": 630.897097420792,
"volume_molar": 7.306444472583542,
"formula_full": "Li6 Mn6 P8 O32",
"formula_reduced": "Li3Mn3(PO4)4",
"formula_anonymous": "A3B3C4D16",
"energy": -399.89244071,
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"updated_at": "2021-11-28T01:37:06.320000Z",
"spacegroup": 4
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{
"id": "mp-754333",
"created_at": "2022-09-04T14:45:23.630720Z",
"structure_string": "Ti2 O2\n1.0\n1.425804 -2.469565 0.000000\n1.425804 2.469565 0.000000\n0.000000 0.000000 5.567503\nTi O\n2 2\ndirect\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 4,
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"elements": [
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"volume": 39.20764394801403,
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"formula_full": "Ti2 O2",
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"formula_anonymous": "AB",
"energy": -36.789408980000005,
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"spacegroup": 194
},
{
"id": "mp-849303",
"created_at": "2022-09-04T14:45:23.636372Z",
"structure_string": "Li2 Mn2 P8 O24\n1.0\n3.800780 8.130227 0.000000\n-3.800780 8.130227 0.000000\n0.000000 6.152472 7.921202\nLi Mn P O\n2 2 8 24\ndirect\n0.830023 0.169977 0.250000 Li\n0.169977 0.830023 0.750000 Li\n0.288754 0.711246 0.250000 Mn\n0.711246 0.288754 0.750000 Mn\n0.688007 0.039187 0.111965 P\n0.283072 0.432111 0.152301 P\n0.567889 0.716928 0.347699 P\n0.960813 0.311993 0.388035 P\n0.039187 0.688007 0.611965 P\n0.432111 0.283072 0.652301 P\n0.716928 0.567889 0.847699 P\n0.311993 0.960813 0.888035 P\n0.170232 0.591122 0.028570 O\n0.465180 0.230723 0.092237 O\n0.750784 0.021932 0.229803 O\n0.660778 0.850956 0.165781 O\n0.174378 0.940494 0.074820 O\n0.149044 0.339222 0.334219 O\n0.978068 0.249216 0.270197 O\n0.520311 0.619860 0.299254 O\n0.380140 0.479689 0.200746 O\n0.769277 0.534820 0.407763 O\n0.408878 0.829768 0.471430 O\n0.059505 0.825622 0.425180 O\n0.940494 0.174378 0.574820 O\n0.591122 0.170232 0.528570 O\n0.230723 0.465180 0.592237 O\n0.619860 0.520311 0.799254 O\n0.479689 0.380140 0.700746 O\n0.021932 0.750784 0.729803 O\n0.850956 0.660778 0.665781 O\n0.825622 0.059506 0.925180 O\n0.339222 0.149044 0.834219 O\n0.249216 0.978068 0.770197 O\n0.534820 0.769277 0.907763 O\n0.829768 0.408878 0.971430 O\n",
"nsites": 36,
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"elements": [
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"formula_full": "Li2 Mn2 P8 O24",
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"spacegroup": 15
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{
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