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{
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"results": [
{
"id": "mp-1174177",
"created_at": "2022-09-04T14:40:42.155597Z",
"structure_string": "Li5 Co3 O8\n1.0\n4.874328 -0.072407 1.068714\n1.210823 4.975661 2.722250\n0.245131 0.095924 5.911917\nLi Co O\n5 3 8\ndirect\n0.500000 0.250000 0.250000 Li\n0.010332 0.496505 0.999861 Li\n0.989668 0.003495 0.500139 Li\n0.500000 0.750000 0.750000 Li\n0.500000 0.250000 0.750000 Li\n0.998821 0.004037 0.990957 Co\n0.001179 0.495963 0.509043 Co\n0.500000 0.750000 0.250000 Co\n0.774941 0.352481 0.880863 O\n0.234677 0.619181 0.600020 O\n0.238519 0.097578 0.120056 O\n0.752892 0.853858 0.385184 O\n0.225059 0.147519 0.619137 O\n0.761481 0.402422 0.379944 O\n0.765323 0.880819 0.899980 O\n0.247108 0.646142 0.114816 O\n",
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"formula_full": "Li5 Co3 O8",
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"spacegroup": 2
},
{
"id": "mp-1224116",
"created_at": "2022-09-04T14:40:42.155905Z",
"structure_string": "K1 Zr12 Te16\n1.0\n7.938981 0.000000 0.000000\n-0.018576 11.206605 0.000000\n-3.942331 -5.583618 9.686509\nK Zr Te\n1 12 16\ndirect\n0.500000 0.000000 0.000000 K\n0.122147 0.126635 0.492604 Zr\n0.620039 0.125811 0.492693 Zr\n0.310809 0.366949 0.873690 Zr\n0.811673 0.365819 0.872644 Zr\n0.190761 0.507342 0.633056 Zr\n0.693314 0.507466 0.633917 Zr\n0.379961 0.874189 0.507307 Zr\n0.877853 0.873365 0.507396 Zr\n0.188327 0.634181 0.127356 Zr\n0.689191 0.633051 0.126310 Zr\n0.306686 0.492534 0.366083 Zr\n0.809239 0.492658 0.366944 Zr\n0.730157 0.054907 0.710008 Te\n0.228137 0.055262 0.709299 Te\n0.847807 0.654716 0.944711 Te\n0.346287 0.654567 0.944694 Te\n0.546851 0.290177 0.345657 Te\n0.048011 0.289382 0.344627 Te\n0.771863 0.944738 0.290701 Te\n0.269843 0.945093 0.289992 Te\n0.653713 0.345433 0.055306 Te\n0.152193 0.345284 0.055289 Te\n0.951989 0.710618 0.655373 Te\n0.453149 0.709823 0.654343 Te\n0.958020 0.332882 0.666248 Te\n0.458114 0.333597 0.666735 Te\n0.541886 0.666403 0.333265 Te\n0.041980 0.667118 0.333752 Te\n",
"nsites": 29,
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"elements": [
"K",
"Zr",
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],
"chemical_system": "K-Te-Zr",
"density": 6.118423730661438,
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"volume": 861.7992533391276,
"volume_molar": 17.896125553348714,
"formula_full": "K1 Zr12 Te16",
"formula_reduced": "K(Zr3Te4)4",
"formula_anonymous": "AB12C16",
"energy": -188.48258204,
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"updated_at": "2021-11-28T01:35:08.183000Z",
"spacegroup": 2
},
{
"id": "mp-1219916",
"created_at": "2022-09-04T14:40:42.161132Z",
"structure_string": "Pr1 Zn2 Ga2\n1.0\n4.293572 0.000000 0.000000\n0.000000 4.293572 0.000000\n2.146786 2.146786 5.347596\nPr Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.385730 0.385730 0.228539 Zn\n0.614270 0.614270 0.771461 Zn\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 5,
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"elements": [
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"Zn",
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],
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"density": 6.925899259441365,
"density_atomic": 0.050719377472096275,
"volume": 98.58165161334631,
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"formula_full": "Pr1 Zn2 Ga2",
"formula_reduced": "Pr(ZnGa)2",
"formula_anonymous": "AB2C2",
"energy": -15.72485323,
"energy_per_atom": -3.144970646,
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"updated_at": "2021-11-28T01:35:04.435000Z",
"spacegroup": 139
},
{
"id": "mp-773157",
"created_at": "2022-09-04T14:40:42.162743Z",
"structure_string": "Li9 Cr12 Co7 O48\n1.0\n5.087778 0.000000 0.000000\n-0.017127 10.277461 0.000000\n-0.063405 -0.032841 17.275218\nLi Cr Co O\n9 12 7 48\ndirect\n0.244885 0.577906 0.029395 Li\n0.249043 0.252834 0.695462 Li\n0.259633 0.746313 0.199340 Li\n0.253885 0.421558 0.530601 Li\n0.404509 0.251299 0.249495 Li\n0.595910 0.747998 0.749718 Li\n0.745105 0.921584 0.471972 Li\n0.739087 0.255268 0.799471 Li\n0.753528 0.750162 0.302710 Li\n0.216664 0.249420 0.055296 Cr\n0.219852 0.974027 0.343596 Cr\n0.215918 0.527944 0.346433 Cr\n0.274405 0.471586 0.845616 Cr\n0.276926 0.027815 0.844445 Cr\n0.276184 0.749076 0.555092 Cr\n0.725970 0.249031 0.444983 Cr\n0.721938 0.972348 0.154409 Cr\n0.729772 0.525392 0.155910 Cr\n0.780024 0.473853 0.655932 Cr\n0.782869 0.027640 0.654159 Cr\n0.780604 0.752223 0.944157 Cr\n0.093871 0.749204 0.747332 Co\n0.247961 0.926787 0.025551 Co\n0.254468 0.068601 0.526399 Co\n0.743164 0.571912 0.475996 Co\n0.747480 0.431047 0.972472 Co\n0.747823 0.072798 0.971742 Co\n0.906553 0.250015 0.254047 Co\n0.051210 0.756662 0.001691 O\n0.049626 0.394463 0.630697 O\n0.060768 0.106349 0.626160 O\n0.101783 0.373253 0.791618 O\n0.102230 0.122675 0.790290 O\n0.105014 0.882239 0.532752 O\n0.083038 0.623815 0.533191 O\n0.088641 0.999236 0.925124 O\n0.090405 0.500747 0.924369 O\n0.144689 0.249438 0.149722 O\n0.146843 0.386095 0.297291 O\n0.144501 0.116724 0.294552 O\n0.334273 0.887323 0.798370 O\n0.330312 0.612365 0.798777 O\n0.337949 0.748574 0.650339 O\n0.400505 0.006970 0.422454 O\n0.404455 0.496156 0.422907 O\n0.402934 0.118244 0.033436 O\n0.405283 0.374797 0.033682 O\n0.403088 0.880084 0.289154 O\n0.391390 0.625036 0.292356 O\n0.443018 0.894829 0.127457 O\n0.454390 0.600429 0.131951 O\n0.452169 0.243517 0.499433 O\n0.550502 0.742154 0.499251 O\n0.558604 0.395635 0.873182 O\n0.556984 0.105382 0.871793 O\n0.595337 0.379825 0.709896 O\n0.610463 0.123734 0.709944 O\n0.588320 0.882926 0.965843 O\n0.603405 0.621217 0.965915 O\n0.593457 0.996808 0.576464 O\n0.599980 0.506366 0.575665 O\n0.666400 0.247799 0.347138 O\n0.672466 0.382457 0.205166 O\n0.667065 0.114166 0.201877 O\n0.850776 0.888099 0.701319 O\n0.849674 0.613461 0.704030 O\n0.854260 0.752831 0.851014 O\n0.903745 0.492044 0.075736 O\n0.907305 0.003931 0.074829 O\n0.895382 0.382500 0.466264 O\n0.917938 0.124895 0.467019 O\n0.899657 0.876164 0.207372 O\n0.909578 0.622697 0.209476 O\n0.951457 0.894430 0.368772 O\n0.939372 0.605099 0.375254 O\n0.941329 0.249719 0.997279 O\n",
"nsites": 76,
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"elements": [
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"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 3.431931569970212,
"density_atomic": 0.08413487721160094,
"volume": 903.3114746083058,
"volume_molar": 7.157722171334716,
"formula_full": "Li9 Cr12 Co7 O48",
"formula_reduced": "Li9Cr12Co7O48",
"formula_anonymous": "A7B9C12D48",
"energy": -543.14939299,
"energy_per_atom": -7.1467025393421055,
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"spacegroup": 1
},
{
"id": "mp-1038206",
"created_at": "2022-09-04T14:40:42.174669Z",
"structure_string": "Na1 Mg30 Al1 O32\n1.0\n8.522744 0.000000 0.000000\n0.000000 8.522744 0.000000\n0.000000 0.000000 8.508486\nNa Mg Al O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249917 0.000000 0.252774 Mg\n0.249917 0.000000 0.747226 Mg\n0.750083 0.000000 0.252774 Mg\n0.750083 0.000000 0.747226 Mg\n0.249954 0.500000 0.251321 Mg\n0.249954 0.500000 0.748679 Mg\n0.750046 0.500000 0.251321 Mg\n0.750046 0.500000 0.748679 Mg\n0.000000 0.249917 0.252774 Mg\n0.000000 0.249917 0.747226 Mg\n0.500000 0.249954 0.251321 Mg\n0.500000 0.249954 0.748679 Mg\n0.000000 0.750083 0.252774 Mg\n0.000000 0.750083 0.747226 Mg\n0.500000 0.750046 0.251321 Mg\n0.500000 0.750046 0.748679 Mg\n0.250295 0.250295 0.000000 Mg\n0.248967 0.248967 0.500000 Mg\n0.749705 0.250295 0.000000 Mg\n0.751033 0.248967 0.500000 Mg\n0.250295 0.749705 0.000000 Mg\n0.248967 0.751033 0.500000 Mg\n0.749705 0.749705 0.000000 Mg\n0.751033 0.751033 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.238153 0.000000 O\n0.000000 0.261438 0.500000 O\n0.500000 0.248554 0.000000 O\n0.500000 0.251651 0.500000 O\n0.000000 0.761847 0.000000 O\n0.000000 0.738562 0.500000 O\n0.500000 0.751446 0.000000 O\n0.500000 0.748349 0.500000 O\n0.249680 0.249680 0.249195 O\n0.249680 0.249680 0.750805 O\n0.750320 0.249680 0.249195 O\n0.750320 0.249680 0.750805 O\n0.249680 0.750320 0.249195 O\n0.249680 0.750320 0.750805 O\n0.750320 0.750320 0.249195 O\n0.750320 0.750320 0.750805 O\n0.000000 0.000000 0.223326 O\n0.000000 0.000000 0.776674 O\n0.500000 0.000000 0.245396 O\n0.500000 0.000000 0.754604 O\n0.000000 0.500000 0.245396 O\n0.000000 0.500000 0.754604 O\n0.500000 0.500000 0.248495 O\n0.500000 0.500000 0.751505 O\n0.238153 0.000000 0.000000 O\n0.261438 0.000000 0.500000 O\n0.761847 0.000000 0.000000 O\n0.738562 0.000000 0.500000 O\n0.248554 0.500000 0.000000 O\n0.251651 0.500000 0.500000 O\n0.751446 0.500000 0.000000 O\n0.748349 0.500000 0.500000 O\n",
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"formula_full": "Na1 Mg30 Al1 O32",
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"spacegroup": 123
},
{
"id": "mp-1221945",
"created_at": "2022-09-04T14:40:42.185077Z",
"structure_string": "Mn8 O17\n1.0\n5.834667 0.000000 0.000000\n1.473845 7.010148 0.000000\n1.447618 0.002809 7.031486\nMn O\n8 17\ndirect\n0.924727 0.484001 0.818026 Mn\n0.424139 0.485200 0.818116 Mn\n0.575861 0.514800 0.181884 Mn\n0.075273 0.515999 0.181974 Mn\n0.333263 0.182272 0.484539 Mn\n0.832962 0.182491 0.485300 Mn\n0.167038 0.817509 0.514700 Mn\n0.666737 0.817728 0.515461 Mn\n0.520839 0.293677 0.621712 O\n0.021717 0.293613 0.621635 O\n0.978283 0.706387 0.378365 O\n0.479161 0.706323 0.378288 O\n0.832151 0.378389 0.293559 O\n0.332541 0.377717 0.292286 O\n0.667459 0.622283 0.707714 O\n0.167849 0.621611 0.706441 O\n0.826799 0.640416 0.047229 O\n0.327710 0.640909 0.047771 O\n0.672290 0.359091 0.952229 O\n0.173201 0.359584 0.952771 O\n0.852656 0.951769 0.640085 O\n0.351832 0.952543 0.640082 O\n0.648168 0.047457 0.359918 O\n0.147344 0.048231 0.359915 O\n0.500000 0.000000 0.000000 O\n",
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"volume": 287.6009909735257,
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{
"id": "mp-1183208",
"created_at": "2022-09-04T14:40:42.188042Z",
"structure_string": "Al1 Ga3\n1.0\n-2.019114 2.019114 4.451999\n2.019114 -2.019114 4.451999\n2.019114 2.019114 -4.451999\nAl Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n",
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"spacegroup": 139
},
{
"id": "mp-779605",
"created_at": "2022-09-04T14:40:42.194127Z",
"structure_string": "Cr8 O2 F22\n1.0\n-5.096946 -0.003328 0.002286\n-2.551491 -4.680621 -0.026261\n2.540616 -0.661025 16.682097\nCr O F\n8 2 22\ndirect\n0.743625 0.648282 0.129911 Cr\n0.748013 0.120284 0.624581 Cr\n0.496638 0.750295 0.750174 Cr\n0.503996 0.239227 0.247839 Cr\n0.243258 0.887636 0.378152 Cr\n0.247528 0.376546 0.875999 Cr\n0.007532 0.480417 0.496334 Cr\n0.996183 0.006923 0.001988 Cr\n0.745647 0.942622 0.188354 O\n0.242787 0.186276 0.437083 O\n0.818317 0.782046 0.034550 F\n0.757621 0.808763 0.559677 F\n0.755000 0.324207 0.065060 F\n0.683671 0.967778 0.718467 F\n0.680662 0.654342 0.407860 F\n0.677541 0.473006 0.217581 F\n0.812898 0.593888 0.842560 F\n0.809223 0.092963 0.343178 F\n0.810106 0.283031 0.532533 F\n0.311338 0.850552 0.094783 F\n0.743678 0.436969 0.686978 F\n0.263619 0.562578 0.313380 F\n0.682908 0.153252 0.908569 F\n0.184486 0.908197 0.656858 F\n0.180473 0.411394 0.158625 F\n0.183210 0.714048 0.467801 F\n0.312458 0.531699 0.782715 F\n0.310195 0.338974 0.592102 F\n0.312050 0.032069 0.282963 F\n0.246992 0.688760 0.939543 F\n0.246978 0.061560 0.813951 F\n0.180331 0.224049 0.969138 F\n",
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"formula_full": "Cr8 O2 F22",
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},
{
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{
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}