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"results": [
{
"id": "mp-1195146",
"created_at": "2022-09-04T14:42:09.502960Z",
"structure_string": "Na4 Ni1 Mo6 H38 O40\n1.0\n-7.529767 -0.037884 -2.622792\n-0.136299 9.896148 3.715091\n7.725057 0.127119 -9.842398\nNa Ni Mo H O\n4 1 6 38 40\ndirect\n0.804291 0.860464 0.581099 Na\n0.195709 0.139536 0.418901 Na\n0.204930 0.860273 0.800172 Na\n0.795070 0.139727 0.199828 Na\n0.000000 0.500000 0.000000 Ni\n0.872877 0.263410 0.728976 Mo\n0.127123 0.736590 0.271024 Mo\n0.250925 0.270351 0.953021 Mo\n0.749075 0.729649 0.046979 Mo\n0.366217 0.497535 0.231111 Mo\n0.633783 0.502465 0.768889 Mo\n0.007534 0.541258 0.795295 H\n0.992466 0.458742 0.204705 H\n0.888881 0.235853 0.955011 H\n0.111119 0.764147 0.044989 H\n0.354802 0.558611 0.026746 H\n0.645198 0.441389 0.973254 H\n0.574800 0.801738 0.331043 H\n0.425200 0.198262 0.668957 H\n0.758464 0.787238 0.315113 H\n0.241536 0.212762 0.684887 H\n0.396766 0.730009 0.500386 H\n0.603234 0.269991 0.499614 H\n0.476396 0.782387 0.637828 H\n0.523604 0.217613 0.362172 H\n0.933884 0.939428 0.849771 H\n0.066116 0.060572 0.150229 H\n0.843926 0.787404 0.817670 H\n0.156074 0.212596 0.182330 H\n0.134033 0.838629 0.544572 H\n0.865967 0.161371 0.455428 H\n0.197548 0.993397 0.620821 H\n0.802452 0.006603 0.379179 H\n0.795067 0.590389 0.442862 H\n0.204933 0.409611 0.557138 H\n0.755400 0.585571 0.557205 H\n0.244600 0.414429 0.442795 H\n0.372915 0.794575 0.017087 H\n0.627085 0.205425 0.982913 H\n0.349546 0.944779 0.049170 H\n0.650454 0.055221 0.950830 H\n0.591974 0.820133 0.839609 H\n0.408026 0.179867 0.160391 H\n0.586431 0.934631 0.781705 H\n0.413569 0.065369 0.218295 H\n0.221771 0.567411 0.727142 H\n0.778229 0.432589 0.272858 H\n0.042661 0.601820 0.644621 H\n0.957339 0.398180 0.355379 H\n0.931455 0.487915 0.824400 O\n0.068545 0.512085 0.175600 O\n0.964598 0.292975 0.929395 O\n0.035402 0.707025 0.070605 O\n0.272209 0.492265 0.039797 O\n0.727791 0.507735 0.960203 O\n0.141869 0.287731 0.796961 O\n0.858131 0.712269 0.203039 O\n0.282761 0.304507 0.125972 O\n0.717239 0.695493 0.874028 O\n0.357889 0.690482 0.266227 O\n0.642111 0.309518 0.733773 O\n0.866865 0.283990 0.593229 O\n0.133135 0.716010 0.406771 O\n0.804109 0.089938 0.695763 O\n0.195891 0.910062 0.304237 O\n0.200213 0.095161 0.919071 O\n0.799787 0.904839 0.080929 O\n0.480672 0.309368 0.967896 O\n0.519328 0.690632 0.032104 O\n0.600101 0.519373 0.259345 O\n0.399899 0.480627 0.740655 O\n0.347022 0.467266 0.357090 O\n0.652978 0.532734 0.642910 O\n0.706670 0.843337 0.368292 O\n0.293330 0.156663 0.631708 O\n0.508396 0.779829 0.568438 O\n0.491604 0.220171 0.431562 O\n0.895334 0.852430 0.786285 O\n0.104666 0.147570 0.213715 O\n0.128892 0.905879 0.615281 O\n0.871108 0.094121 0.384719 O\n0.845741 0.626187 0.530318 O\n0.154259 0.373813 0.469682 O\n0.281887 0.851557 0.001672 O\n0.718113 0.148443 0.998328 O\n0.522424 0.888908 0.819813 O\n0.477576 0.111092 0.180187 O\n0.127213 0.620842 0.728114 O\n0.872787 0.379158 0.271886 O\n",
"nsites": 89,
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"elements": [
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],
"chemical_system": "H-Mo-Na-Ni-O",
"density": 2.490526771650876,
"density_atomic": 0.09503611504085743,
"volume": 936.4860922791045,
"volume_molar": 6.336686592682153,
"formula_full": "Na4 Ni1 Mo6 H38 O40",
"formula_reduced": "Na4NiMo6(H19O20)2",
"formula_anonymous": "AB4C6D38E40",
"energy": -538.35692862,
"energy_per_atom": -6.048954254157303,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:37.794000Z",
"spacegroup": 2
},
{
"id": "mp-1286205",
"created_at": "2022-09-04T14:42:09.395118Z",
"structure_string": "La1 Mn2 Cd1 O6\n1.0\n-2.715324 1.776671 4.508463\n0.003909 -3.118005 4.356219\n2.668262 1.743592 4.490098\nLa Mn Cd O\n1 2 1 6\ndirect\n0.745565 0.752973 0.752601 La\n0.001136 0.001361 0.999668 Mn\n0.496969 0.501728 0.499178 Mn\n0.252949 0.248029 0.245752 Cd\n0.855947 0.226711 0.681449 O\n0.247490 0.665719 0.837934 O\n0.664756 0.838760 0.245665 O\n0.752042 0.318226 0.178751 O\n0.319729 0.177466 0.758122 O\n0.163418 0.769027 0.300879 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Mn",
"Cd",
"O"
],
"chemical_system": "Cd-La-Mn-O",
"density": 6.499902819116541,
"density_atomic": 0.08561739924027853,
"volume": 116.79868915354206,
"volume_molar": 7.0337814666611544,
"formula_full": "La1 Mn2 Cd1 O6",
"formula_reduced": "LaMn2CdO6",
"formula_anonymous": "ABC2D6",
"energy": -76.91372697,
"energy_per_atom": -7.691372697,
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"updated_at": "2021-11-28T01:35:41.242000Z",
"spacegroup": 1
},
{
"id": "mp-1191273",
"created_at": "2022-09-04T14:42:09.396655Z",
"structure_string": "Tb12 Ni4 Ge8\n1.0\n4.185565 0.000000 0.000000\n0.000000 11.275838 0.000000\n0.000000 0.000000 11.419861\nTb Ni Ge\n12 4 8\ndirect\n0.250000 0.058904 0.881690 Tb\n0.250000 0.441096 0.381690 Tb\n0.750000 0.941096 0.118310 Tb\n0.750000 0.558904 0.618310 Tb\n0.250000 0.127233 0.555414 Tb\n0.250000 0.372767 0.055414 Tb\n0.750000 0.872767 0.444586 Tb\n0.750000 0.627233 0.944586 Tb\n0.250000 0.805058 0.719904 Tb\n0.250000 0.694942 0.219904 Tb\n0.750000 0.194942 0.280096 Tb\n0.750000 0.305058 0.780096 Tb\n0.250000 0.371173 0.627093 Ni\n0.250000 0.128827 0.127093 Ni\n0.750000 0.628827 0.372907 Ni\n0.750000 0.871173 0.872907 Ni\n0.250000 0.811740 0.981041 Ge\n0.250000 0.688260 0.481041 Ge\n0.750000 0.188260 0.018959 Ge\n0.750000 0.311740 0.518959 Ge\n0.250000 0.500579 0.805811 Ge\n0.250000 0.999421 0.305811 Ge\n0.750000 0.499421 0.194189 Ge\n0.750000 0.000579 0.694189 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Ni",
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],
"chemical_system": "Ge-Ni-Tb",
"density": 8.389433804434715,
"density_atomic": 0.04452946788378685,
"volume": 538.9689376624773,
"volume_molar": 13.523945032796263,
"formula_full": "Tb12 Ni4 Ge8",
"formula_reduced": "Tb3NiGe2",
"formula_anonymous": "AB2C3",
"energy": -134.52483318,
"energy_per_atom": -5.6052013825,
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"updated_at": "2021-11-28T01:35:39.954000Z",
"spacegroup": 62
},
{
"id": "mp-759180",
"created_at": "2022-09-04T14:42:09.400675Z",
"structure_string": "Li2 Fe3 Co1 O8\n1.0\n5.103072 -0.030455 -0.018398\n1.677085 2.699309 5.071008\n0.000000 -3.045295 5.041034\nLi Fe Co O\n2 3 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.245923 Fe\n0.500000 0.500000 0.754077 Fe\n0.000000 0.500000 0.000000 Co\n0.218496 0.294257 0.340909 O\n0.218496 0.294257 0.864834 O\n0.244059 0.711916 0.894042 O\n0.248960 0.714763 0.392618 O\n0.751040 0.285237 0.607382 O\n0.755941 0.288084 0.105958 O\n0.781504 0.705743 0.135166 O\n0.781504 0.705743 0.659091 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.116212712413545,
"density_atomic": 0.09421531469166584,
"volume": 148.59579937526252,
"volume_molar": 6.391891572732507,
"formula_full": "Li2 Fe3 Co1 O8",
"formula_reduced": "Li2Fe3CoO8",
"formula_anonymous": "AB2C3D8",
"energy": -98.44712148,
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"updated_at": "2021-11-28T01:35:40.232000Z",
"spacegroup": 12
},
{
"id": "mp-1218985",
"created_at": "2022-09-04T14:42:09.401558Z",
"structure_string": "Sm1 Gd1 B12\n1.0\n5.824798 0.000000 0.000000\n0.000000 5.824798 0.000000\n0.000000 0.000000 4.118919\nSm Gd B\n1 1 12\ndirect\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.199333 B\n0.500000 0.000000 0.199333 B\n0.150333 0.650445 0.500000 B\n0.650445 0.150333 0.500000 B\n0.150333 0.349555 0.500000 B\n0.650445 0.849667 0.500000 B\n0.849667 0.349555 0.500000 B\n0.349555 0.849667 0.500000 B\n0.849667 0.650445 0.500000 B\n0.349555 0.150333 0.500000 B\n0.000000 0.500000 0.800667 B\n0.500000 0.000000 0.800667 B\n",
"nsites": 14,
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"elements": [
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"Gd",
"B"
],
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"density": 5.196671863896627,
"density_atomic": 0.10018046572756506,
"volume": 139.7478031103607,
"volume_molar": 6.011292437366843,
"formula_full": "Sm1 Gd1 B12",
"formula_reduced": "SmGdB12",
"formula_anonymous": "ABC12",
"energy": -105.35235372,
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"updated_at": "2021-11-28T01:35:40.161000Z",
"spacegroup": 123
},
{
"id": "mp-765725",
"created_at": "2022-09-04T14:42:09.404869Z",
"structure_string": "Na3 Li5 Mn5 O9\n1.0\n5.892818 0.000000 0.000000\n2.942600 5.122639 0.000000\n1.084411 1.509082 8.855563\nNa Li Mn O\n3 5 5 9\ndirect\n0.079020 0.467840 0.433544 Na\n0.394031 0.770277 0.426311 Na\n0.727550 0.120859 0.440561 Na\n0.016251 0.922126 0.181322 Li\n0.387547 0.406150 0.652130 Li\n0.709238 0.732740 0.636226 Li\n0.064445 0.066315 0.625970 Li\n0.368596 0.618387 0.034660 Li\n0.018705 0.682675 0.851676 Mn\n0.414550 0.170905 0.180553 Mn\n0.772404 0.521202 0.181317 Mn\n0.372470 0.023481 0.855169 Mn\n0.745165 0.306226 0.855496 Mn\n0.077770 0.166403 0.273802 O\n0.425130 0.492703 0.244531 O\n0.739616 0.832471 0.270649 O\n0.388854 0.079002 0.626423 O\n0.725447 0.397842 0.626376 O\n0.051388 0.738587 0.622707 O\n0.374943 0.335775 0.935679 O\n0.688473 0.642963 0.939874 O\n0.065000 0.951175 0.950155 O\n",
"nsites": 22,
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"volume": 267.3209259175959,
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"formula_full": "Na3 Li5 Mn5 O9",
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"spacegroup": 1
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{
"id": "mp-23301",
"created_at": "2022-09-04T14:42:09.410340Z",
"structure_string": "Bi1 F3\n1.0\n0.000000 2.882491 2.882491\n2.882491 0.000000 2.882491\n2.882491 2.882491 0.000000\nBi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 F\n0.500000 0.500000 0.500000 F\n0.750000 0.750000 0.750000 F\n",
"nsites": 4,
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"formula_full": "Bi1 F3",
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"energy": -19.6558519,
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"spacegroup": 225
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{
"id": "mp-1662205",
"created_at": "2022-09-04T14:42:09.416480Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n-0.068041 -0.000101 4.979918\n7.291427 -0.000042 0.103226\n-0.000059 9.590475 -0.000189\nLi Co P O\n4 4 4 16\ndirect\n0.101001 0.233479 0.435575 Li\n0.899000 0.766520 0.935582 Li\n0.598528 0.265240 0.652535 Li\n0.401476 0.734756 0.152536 Li\n0.795672 0.415964 0.072993 Co\n0.204331 0.584039 0.572991 Co\n0.294153 0.085024 0.023545 Co\n0.705843 0.914982 0.523545 Co\n0.868177 0.004430 0.197930 P\n0.131839 0.995570 0.697935 P\n0.366041 0.493532 0.896826 P\n0.633950 0.506474 0.396812 P\n0.900927 0.011429 0.358033 O\n0.099080 0.988572 0.858031 O\n0.570576 0.982821 0.155927 O\n0.429430 0.017179 0.655933 O\n0.958404 0.146284 0.628519 O\n0.041594 0.853717 0.128519 O\n0.988541 0.191720 0.141030 O\n0.011461 0.808280 0.641026 O\n0.487679 0.309726 0.958934 O\n0.512318 0.690271 0.458937 O\n0.604335 0.520917 0.236742 O\n0.395661 0.479084 0.736738 O\n0.068528 0.516602 0.938990 O\n0.931462 0.483394 0.438991 O\n0.461279 0.351905 0.461338 O\n0.538714 0.648088 0.961344 O\n",
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"formula_full": "Li4 Co4 P4 O16",
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{
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{
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}