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{
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"results": [
{
"id": "mp-759695",
"created_at": "2022-09-04T14:45:07.908378Z",
"structure_string": "Mn2 Nb1 V3 P6 O24\n1.0\n7.561539 -4.363168 0.000000\n7.561539 4.363168 0.000000\n5.043898 0.000000 7.125532\nMn Nb V P O\n2 1 3 6 24\ndirect\n0.995726 0.995726 0.995726 Mn\n0.499451 0.499451 0.499451 Mn\n0.143755 0.143755 0.143755 Nb\n0.643217 0.643217 0.643217 V\n0.854745 0.854745 0.854745 V\n0.356882 0.356882 0.356882 V\n0.956305 0.252599 0.548179 P\n0.548179 0.956305 0.252599 P\n0.252599 0.548179 0.956305 P\n0.744700 0.462041 0.041566 P\n0.462041 0.041566 0.744700 P\n0.041566 0.744700 0.462041 P\n0.506247 0.114890 0.307559 O\n0.307559 0.506247 0.114890 O\n0.114890 0.307559 0.506247 O\n0.939937 0.086545 0.736016 O\n0.001061 0.191372 0.382801 O\n0.764467 0.411934 0.556543 O\n0.736016 0.939937 0.086545 O\n0.556543 0.764467 0.411933 O\n0.808372 0.614883 0.005803 O\n0.411934 0.556543 0.764467 O\n0.912800 0.265020 0.061417 O\n0.614883 0.005803 0.808372 O\n0.382801 0.001061 0.191372 O\n0.086545 0.736016 0.939937 O\n0.587560 0.440035 0.235757 O\n0.191372 0.382801 0.001061 O\n0.440035 0.235757 0.587560 O\n0.265020 0.061417 0.912800 O\n0.235757 0.587560 0.440035 O\n0.005803 0.808372 0.614883 O\n0.061417 0.912800 0.265020 O\n0.883201 0.694570 0.492057 O\n0.694570 0.492057 0.883201 O\n0.492057 0.883201 0.694570 O\n",
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},
{
"id": "mp-1224893",
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"structure_string": "Fe2 Ni2 S8\n1.0\n5.537342 0.000000 0.000000\n0.000000 5.476885 0.000000\n0.000000 0.036126 5.523754\nFe Ni S\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.892897 0.881161 0.604574 S\n0.392897 0.118839 0.895426 S\n0.118771 0.606093 0.119053 S\n0.618771 0.393907 0.380947 S\n0.107103 0.118839 0.395426 S\n0.607103 0.881161 0.104574 S\n0.881229 0.393907 0.880947 S\n0.381229 0.606093 0.619053 S\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Fe-Ni-S",
"density": 4.8134405812884316,
"density_atomic": 0.07163280333914686,
"volume": 167.52101607954353,
"volume_molar": 8.406959492410289,
"formula_full": "Fe2 Ni2 S8",
"formula_reduced": "FeNiS4",
"formula_anonymous": "ABC4",
"energy": -69.82085782,
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"updated_at": "2021-11-28T01:36:46.459000Z",
"spacegroup": 14
},
{
"id": "mp-863437",
"created_at": "2022-09-04T14:45:07.969343Z",
"structure_string": "Li9 V5 Si10 O32\n1.0\n5.651567 5.746294 0.000000\n-5.651567 5.746294 0.000000\n0.000000 0.249126 8.107035\nLi V Si O\n9 5 10 32\ndirect\n0.493292 0.746405 0.633610 Li\n0.253595 0.506708 0.366390 Li\n0.753912 0.003885 0.376659 Li\n0.498145 0.255239 0.117200 Li\n0.006638 0.741920 0.122280 Li\n0.375490 0.624510 0.000000 Li\n0.258080 0.993362 0.877720 Li\n0.744761 0.501855 0.882800 Li\n0.996115 0.246088 0.623341 Li\n0.865860 0.628053 0.510182 V\n0.128101 0.871899 0.500000 V\n0.371947 0.134140 0.489818 V\n0.870436 0.376451 0.247682 V\n0.623549 0.129564 0.752318 V\n0.611521 0.388479 0.500000 Si\n0.615437 0.631019 0.249200 Si\n0.380271 0.877418 0.236815 Si\n0.132825 0.119039 0.232943 Si\n0.630369 0.868338 0.008825 Si\n0.883939 0.116061 0.000000 Si\n0.131662 0.369631 0.991175 Si\n0.880961 0.867175 0.767057 Si\n0.122582 0.619729 0.763185 Si\n0.368981 0.384563 0.750800 Si\n0.878738 0.874429 0.546447 O\n0.387570 0.380715 0.521180 O\n0.619402 0.164525 0.505766 O\n0.373616 0.889872 0.463809 O\n0.110128 0.626384 0.536191 O\n0.835475 0.380598 0.494234 O\n0.619285 0.612430 0.478820 O\n0.125571 0.121262 0.453553 O\n0.842455 0.620004 0.259298 O\n0.355503 0.105517 0.238150 O\n0.154726 0.892891 0.239596 O\n0.906343 0.118598 0.222146 O\n0.612578 0.406017 0.272998 O\n0.397323 0.660689 0.249100 O\n0.615023 0.865488 0.237265 O\n0.129086 0.345985 0.212084 O\n0.633728 0.651241 0.033116 O\n0.112303 0.132353 0.007177 O\n0.896243 0.338827 0.996855 O\n0.114005 0.585122 0.979856 O\n0.414878 0.885995 0.020144 O\n0.661173 0.103757 0.003145 O\n0.867647 0.887697 0.992823 O\n0.348759 0.366272 0.966884 O\n0.654015 0.870914 0.787916 O\n0.134512 0.384977 0.762735 O\n0.339311 0.602677 0.750900 O\n0.593983 0.387422 0.727002 O\n0.881402 0.093657 0.777854 O\n0.107109 0.845274 0.760404 O\n0.894483 0.644497 0.761850 O\n0.379996 0.157545 0.740702 O\n",
"nsites": 56,
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"elements": [
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"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.5004842041384796,
"density_atomic": 0.10635043254158105,
"volume": 526.5610929988934,
"volume_molar": 5.66254467996212,
"formula_full": "Li9 V5 Si10 O32",
"formula_reduced": "Li9V5(Si5O16)2",
"formula_anonymous": "A5B9C10D32",
"energy": -433.53000191,
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"updated_at": "2021-11-28T01:36:53.218000Z",
"spacegroup": 5
},
{
"id": "mp-1105890",
"created_at": "2022-09-04T14:45:07.985090Z",
"structure_string": "Lu3 Tl2 Cu5 Se8\n1.0\n2.032361 7.160005 0.000000\n-2.032361 7.160005 0.000000\n0.000000 5.164654 13.759577\nLu Tl Cu Se\n3 2 5 8\ndirect\n0.035372 0.035372 0.592689 Lu\n0.336327 0.336327 0.825764 Lu\n0.200100 0.200100 0.209933 Lu\n0.008540 0.008540 0.009733 Tl\n0.358757 0.358757 0.415331 Tl\n0.727748 0.727748 0.016811 Cu\n0.651535 0.651535 0.401150 Cu\n0.982979 0.982979 0.240593 Cu\n0.783598 0.783598 0.671822 Cu\n0.588149 0.588149 0.748589 Cu\n0.577842 0.577842 0.165368 Se\n0.325419 0.325419 0.016796 Se\n0.694450 0.694450 0.853032 Se\n0.808332 0.808332 0.257895 Se\n0.053215 0.053215 0.396720 Se\n0.676987 0.676987 0.566768 Se\n0.386789 0.386789 0.622853 Se\n0.985922 0.985922 0.795322 Se\n",
"nsites": 18,
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"elements": [
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"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Lu-Se-Tl",
"density": 7.80850797433049,
"density_atomic": 0.04494933267426263,
"volume": 400.45088389724975,
"volume_molar": 13.397619946086976,
"formula_full": "Lu3 Tl2 Cu5 Se8",
"formula_reduced": "Lu3Tl2Cu5Se8",
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"energy": -86.65654162,
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},
{
"id": "mp-1220439",
"created_at": "2022-09-04T14:45:07.987659Z",
"structure_string": "Nd2 Co5 Ni5\n1.0\n3.968663 0.000000 0.000000\n0.000000 4.961840 0.000000\n0.000000 0.000000 8.585170\nNd Co Ni\n2 5 5\ndirect\n0.000000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.334677 Co\n0.000000 0.000000 0.833244 Co\n0.000000 0.000000 0.166756 Co\n0.000000 0.500000 0.665323 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Ni\n0.500000 0.750246 0.250012 Ni\n0.500000 0.249754 0.749988 Ni\n0.500000 0.249754 0.250012 Ni\n0.500000 0.750246 0.749988 Ni\n",
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"elements": [
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"Co",
"Ni"
],
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"volume": 169.05805860705257,
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"formula_full": "Nd2 Co5 Ni5",
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"formula_anonymous": "A2B5C5",
"energy": -75.36563704,
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"spacegroup": 47
},
{
"id": "mp-1026637",
"created_at": "2022-09-04T14:45:08.018681Z",
"structure_string": "Na1 Mg14 Sb1\n1.0\n6.406300 -0.000000 -0.000000\n-3.203150 5.548018 0.000000\n0.000000 -0.000000 10.503917\nNa Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Na\n0.169918 0.834958 0.125000 Mg\n0.163916 0.831957 0.625000 Mg\n0.665042 0.330082 0.125000 Mg\n0.668043 0.336084 0.625000 Mg\n0.665042 0.834958 0.125000 Mg\n0.668043 0.831957 0.625000 Mg\n0.335118 0.164882 0.375970 Mg\n0.335118 0.164882 0.874030 Mg\n0.335118 0.670236 0.375970 Mg\n0.335118 0.670236 0.874030 Mg\n0.829764 0.164882 0.375970 Mg\n0.829764 0.164882 0.874030 Mg\n0.833333 0.666667 0.373775 Mg\n0.833333 0.666667 0.876225 Mg\n0.166667 0.333333 0.625000 Sb\n",
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"elements": [
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],
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{
"id": "mp-849425",
"created_at": "2022-09-04T14:45:08.020396Z",
"structure_string": "Li6 Fe8 P16 O56\n1.0\n9.719301 0.000000 0.000000\n-0.017057 9.848147 0.000000\n-2.287657 -0.039563 10.905577\nLi Fe P O\n6 8 16 56\ndirect\n0.908273 0.106460 0.973759 Li\n0.594456 0.606918 0.029331 Li\n0.406302 0.395714 0.971298 Li\n0.093663 0.894160 0.026876 Li\n0.152990 0.576494 0.526452 Li\n0.113104 0.283166 0.452807 Li\n0.793937 0.915000 0.340169 Fe\n0.753565 0.205009 0.179597 Fe\n0.750784 0.701051 0.821029 Fe\n0.706481 0.418173 0.659778 Fe\n0.299040 0.586440 0.324961 Fe\n0.248453 0.297063 0.176690 Fe\n0.245497 0.789738 0.821201 Fe\n0.204786 0.077316 0.666799 Fe\n0.978443 0.447545 0.247982 P\n0.884468 0.713131 0.118213 P\n0.937187 0.923987 0.761318 P\n0.873132 0.143482 0.570558 P\n0.625102 0.642931 0.428595 P\n0.563109 0.424495 0.238479 P\n0.478288 0.053947 0.247431 P\n0.616604 0.213091 0.883288 P\n0.386739 0.791039 0.113291 P\n0.522623 0.946406 0.752651 P\n0.436707 0.574865 0.762917 P\n0.376234 0.354909 0.576500 P\n0.126847 0.857555 0.427917 P\n0.064513 0.073988 0.239452 P\n0.114593 0.286248 0.882650 P\n0.022320 0.553292 0.754641 P\n0.985461 0.423733 0.381631 O\n0.971907 0.848410 0.434939 O\n0.912564 0.083104 0.265378 O\n0.896978 0.586982 0.212118 O\n0.895014 0.340370 0.160581 O\n0.818664 0.824505 0.184076 O\n0.780195 0.665214 0.998277 O\n0.973350 0.258323 0.908823 O\n0.873140 0.058393 0.694578 O\n0.939666 0.940485 0.895916 O\n0.868512 0.536452 0.778393 O\n0.816798 0.281787 0.597206 O\n0.841419 0.804094 0.709993 O\n0.786607 0.065053 0.464004 O\n0.710771 0.565758 0.535786 O\n0.656662 0.303632 0.289281 O\n0.681355 0.782152 0.403628 O\n0.630336 0.037576 0.222781 O\n0.631923 0.558003 0.304293 O\n0.559239 0.439815 0.103672 O\n0.529025 0.763516 0.089030 O\n0.720702 0.163626 0.002122 O\n0.679969 0.325417 0.817259 O\n0.602812 0.086971 0.787365 O\n0.587792 0.585141 0.735345 O\n0.606321 0.839267 0.838170 O\n0.528135 0.347436 0.563973 O\n0.472761 0.085647 0.379367 O\n0.526487 0.913426 0.620409 O\n0.467915 0.648887 0.431994 O\n0.392716 0.160600 0.161814 O\n0.409684 0.415779 0.266141 O\n0.396869 0.913745 0.211231 O\n0.319604 0.677149 0.175943 O\n0.280819 0.840022 0.995596 O\n0.474381 0.240866 0.909299 O\n0.436322 0.567821 0.897635 O\n0.373429 0.434616 0.703606 O\n0.369647 0.960547 0.776429 O\n0.307870 0.217837 0.592141 O\n0.333922 0.687071 0.703851 O\n0.279120 0.436946 0.475359 O\n0.214679 0.935981 0.534180 O\n0.156618 0.196061 0.296874 O\n0.183623 0.714914 0.406474 O\n0.132022 0.462620 0.219336 O\n0.068469 0.064922 0.105594 O\n0.133527 0.939083 0.302904 O\n0.026977 0.743116 0.094059 O\n0.221694 0.333883 0.001751 O\n0.180224 0.174744 0.815935 O\n0.103500 0.658896 0.846277 O\n0.103929 0.412703 0.789802 O\n0.089807 0.912505 0.733982 O\n0.029906 0.155417 0.561354 O\n0.026911 0.580132 0.624412 O\n",
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"elements": [
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"volume": 1043.850258633695,
"volume_molar": 7.309550220761066,
"formula_full": "Li6 Fe8 P16 O56",
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"energy": -648.68794665,
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},
{
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