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{
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"results": [
{
"id": "mp-1193066",
"created_at": "2022-09-04T14:47:16.502120Z",
"structure_string": "Cs12 Fe4 O12\n1.0\n-7.163109 0.000013 1.885625\n-0.039294 0.000003 -7.849163\n0.000023 -12.381678 0.000005\nCs Fe O\n12 4 12\ndirect\n0.455180 0.496580 0.706552 Cs\n0.544815 0.003410 0.206545 Cs\n0.544812 0.503421 0.293453 Cs\n0.455191 0.996586 0.793458 Cs\n0.663802 0.367553 0.991654 Cs\n0.336193 0.132454 0.491647 Cs\n0.336202 0.632459 0.008350 Cs\n0.663803 0.867549 0.508341 Cs\n0.979996 0.087741 0.743350 Cs\n0.020017 0.412281 0.243338 Cs\n0.020003 0.912262 0.256654 Cs\n0.979990 0.587719 0.756668 Cs\n0.844387 0.349824 0.508040 Fe\n0.155618 0.150143 0.008050 Fe\n0.155599 0.650167 0.491954 Fe\n0.844406 0.849843 0.991952 Fe\n0.880630 0.103014 0.032209 O\n0.119382 0.396975 0.532204 O\n0.119375 0.896987 0.967794 O\n0.880614 0.603030 0.467788 O\n0.705796 0.271170 0.634247 O\n0.294199 0.228817 0.134245 O\n0.294205 0.728825 0.365751 O\n0.705788 0.771169 0.865758 O\n0.250591 0.296367 0.888914 O\n0.749402 0.203641 0.388912 O\n0.749412 0.703649 0.111089 O\n0.250592 0.796365 0.611082 O\n",
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"volume": 697.0699468782034,
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"formula_full": "Cs12 Fe4 O12",
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},
{
"id": "mp-1225043",
"created_at": "2022-09-04T14:47:16.504737Z",
"structure_string": "Dy1 Y1 Fe4\n1.0\n0.000000 3.648755 3.648755\n3.648755 0.000000 3.648755\n3.648755 3.648755 0.000000\nDy Y Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Y\n0.624848 0.624848 0.125455 Fe\n0.624848 0.125455 0.624848 Fe\n0.125455 0.624848 0.624848 Fe\n0.624848 0.624848 0.624848 Fe\n",
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"volume": 97.15476486668794,
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"formula_full": "Dy1 Y1 Fe4",
"formula_reduced": "DyYFe4",
"formula_anonymous": "ABC4",
"energy": -44.18957747,
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"updated_at": "2021-11-28T01:38:02.414000Z",
"spacegroup": 216
},
{
"id": "mp-1196487",
"created_at": "2022-09-04T14:47:16.639415Z",
"structure_string": "Rb8 U8 H16 Se8 O56 F8\n1.0\n8.609374 0.000000 0.000000\n0.000000 13.685058 0.000000\n0.000000 0.000000 14.027280\nRb U H Se O F\n8 8 16 8 56 8\ndirect\n0.325233 0.182599 0.750000 Rb\n0.825233 0.317401 0.750000 Rb\n0.674767 0.817401 0.250000 Rb\n0.174767 0.682599 0.250000 Rb\n0.401445 0.371364 0.250000 Rb\n0.901445 0.128636 0.250000 Rb\n0.598555 0.628636 0.750000 Rb\n0.098555 0.871364 0.750000 Rb\n0.609629 0.197204 0.488826 U\n0.109629 0.302796 0.011174 U\n0.390371 0.802796 0.988826 U\n0.890371 0.697204 0.511174 U\n0.390371 0.802796 0.511174 U\n0.890371 0.697204 0.988826 U\n0.609629 0.197204 0.011174 U\n0.109629 0.302796 0.488826 U\n0.484147 0.964207 0.694643 H\n0.984147 0.535793 0.805357 H\n0.515853 0.035793 0.194643 H\n0.015853 0.464207 0.305357 H\n0.515853 0.035793 0.305357 H\n0.015853 0.464207 0.194643 H\n0.484147 0.964207 0.805357 H\n0.984147 0.535793 0.694643 H\n0.459968 0.403758 0.805500 H\n0.959968 0.096242 0.694500 H\n0.540032 0.596242 0.305500 H\n0.040032 0.903758 0.194500 H\n0.540032 0.596242 0.194500 H\n0.040032 0.903758 0.305500 H\n0.459968 0.403758 0.694500 H\n0.959968 0.096242 0.805500 H\n0.736271 0.449851 0.471989 Se\n0.236271 0.050149 0.028011 Se\n0.263729 0.550149 0.971989 Se\n0.763729 0.949851 0.528011 Se\n0.263729 0.550149 0.528011 Se\n0.763729 0.949851 0.971989 Se\n0.736271 0.449851 0.028011 Se\n0.236271 0.050149 0.471989 Se\n0.632199 0.235658 0.366196 O\n0.132199 0.264342 0.133804 O\n0.367801 0.764342 0.866196 O\n0.867801 0.735658 0.633804 O\n0.367801 0.764342 0.633804 O\n0.867801 0.735658 0.866196 O\n0.632199 0.235658 0.133804 O\n0.132199 0.264342 0.366196 O\n0.591718 0.160917 0.612767 O\n0.091718 0.339083 0.887233 O\n0.408282 0.839083 0.112767 O\n0.908282 0.660917 0.387233 O\n0.408282 0.839083 0.387233 O\n0.908282 0.660917 0.112767 O\n0.591718 0.160917 0.887233 O\n0.091718 0.339083 0.612767 O\n0.409475 0.089213 0.428877 O\n0.909475 0.410787 0.071123 O\n0.590525 0.910787 0.928877 O\n0.090525 0.589213 0.571123 O\n0.590525 0.910787 0.571123 O\n0.090525 0.589213 0.928877 O\n0.409475 0.089213 0.071123 O\n0.909475 0.410787 0.428877 O\n0.729692 0.045343 0.454559 O\n0.229692 0.454657 0.045441 O\n0.270308 0.954657 0.954559 O\n0.770308 0.545343 0.545441 O\n0.270308 0.954657 0.545441 O\n0.770308 0.545343 0.954559 O\n0.729692 0.045343 0.045441 O\n0.229692 0.454657 0.454559 O\n0.667245 0.360258 0.543361 O\n0.167245 0.139742 0.956639 O\n0.332755 0.639742 0.043361 O\n0.832755 0.860258 0.456639 O\n0.332755 0.639742 0.456639 O\n0.832755 0.860258 0.043361 O\n0.667245 0.360258 0.956639 O\n0.167245 0.139742 0.543361 O\n0.617003 0.477844 0.385170 O\n0.117003 0.022156 0.114830 O\n0.382997 0.522156 0.885170 O\n0.882997 0.977844 0.614830 O\n0.382997 0.522156 0.614830 O\n0.882997 0.977844 0.885170 O\n0.617003 0.477844 0.114830 O\n0.117003 0.022156 0.385170 O\n0.419171 0.978996 0.750000 O\n0.919171 0.521004 0.750000 O\n0.580829 0.021004 0.250000 O\n0.080829 0.478996 0.250000 O\n0.500935 0.368599 0.750000 O\n0.000935 0.131401 0.750000 O\n0.499065 0.631401 0.250000 O\n0.999065 0.868599 0.250000 O\n0.378247 0.280659 0.503333 F\n0.878247 0.219341 0.996667 F\n0.621753 0.719341 0.003333 F\n0.121753 0.780659 0.496667 F\n0.621753 0.719341 0.496667 F\n0.121753 0.780659 0.003333 F\n0.378247 0.280659 0.996667 F\n0.878247 0.219341 0.503333 F\n",
"nsites": 104,
"nelements": 6,
"elements": [
"Rb",
"U",
"H",
"Se",
"O",
"F"
],
"chemical_system": "F-H-O-Rb-Se-U",
"density": 4.3040761347304555,
"density_atomic": 0.06292767070187592,
"volume": 1652.6910791392072,
"volume_molar": 9.569940684012122,
"formula_full": "Rb8 U8 H16 Se8 O56 F8",
"formula_reduced": "RbUH2SeO7F",
"formula_anonymous": "ABCDE2F7",
"energy": -705.34326948,
"energy_per_atom": -6.782146821923077,
"energy_above_hull": null,
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"energy_uncorrected": -663.17526948,
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"updated_at": "2021-11-28T01:37:59.180000Z",
"spacegroup": 62
},
{
"id": "mp-1217746",
"created_at": "2022-09-04T14:47:16.640868Z",
"structure_string": "Tb17 Mg11 Ni8\n1.0\n3.643967 0.000000 0.000000\n0.000000 10.949729 0.000000\n0.000000 0.000000 21.904590\nTb Mg Ni\n17 11 8\ndirect\n0.500000 0.324172 0.162130 Tb\n0.500000 0.324781 0.662059 Tb\n0.500000 0.675219 0.337941 Tb\n0.500000 0.675828 0.837870 Tb\n0.500000 0.675828 0.162130 Tb\n0.500000 0.675219 0.662059 Tb\n0.500000 0.324781 0.337941 Tb\n0.500000 0.324172 0.837870 Tb\n0.500000 0.000000 0.135624 Tb\n0.500000 0.000000 0.633348 Tb\n0.500000 0.000000 0.366652 Tb\n0.500000 0.000000 0.864376 Tb\n0.500000 0.728759 0.000000 Tb\n0.500000 0.733345 0.500000 Tb\n0.500000 0.271241 0.000000 Tb\n0.500000 0.266655 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.070838 Mg\n0.000000 0.500000 0.570832 Mg\n0.000000 0.500000 0.429168 Mg\n0.000000 0.500000 0.929162 Mg\n0.000000 0.858353 0.250177 Mg\n0.000000 0.858353 0.749823 Mg\n0.000000 0.141647 0.250177 Mg\n0.000000 0.141647 0.749823 Mg\n0.000000 0.500000 0.250078 Mg\n0.000000 0.500000 0.749922 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.190307 0.095259 Ni\n0.000000 0.190141 0.595161 Ni\n0.000000 0.809859 0.404839 Ni\n0.000000 0.809693 0.904741 Ni\n0.000000 0.809693 0.095259 Ni\n0.000000 0.809859 0.595161 Ni\n0.000000 0.190141 0.404839 Ni\n0.000000 0.190307 0.904741 Ni\n",
"nsites": 36,
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"elements": [
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"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 6.533140654554149,
"density_atomic": 0.041189788885947196,
"volume": 874.003022925961,
"volume_molar": 14.620470079793456,
"formula_full": "Tb17 Mg11 Ni8",
"formula_reduced": "Tb17Mg11Ni8",
"formula_anonymous": "A8B11C17",
"energy": -151.70582840999998,
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"updated_at": "2021-11-28T01:37:59.337000Z",
"spacegroup": 47
},
{
"id": "mp-21401",
"created_at": "2022-09-04T14:47:17.193035Z",
"structure_string": "Tb4 Sn4 Pd4\n1.0\n4.661054 0.000000 0.000000\n0.000000 7.263004 0.000000\n0.000000 0.000000 7.997919\nTb Sn Pd\n4 4 4\ndirect\n0.750000 0.010249 0.208055 Tb\n0.250000 0.989751 0.791945 Tb\n0.750000 0.510249 0.291945 Tb\n0.250000 0.489751 0.708055 Tb\n0.750000 0.196548 0.588804 Sn\n0.250000 0.803452 0.411196 Sn\n0.750000 0.696548 0.911196 Sn\n0.250000 0.303452 0.088804 Sn\n0.750000 0.796861 0.582546 Pd\n0.250000 0.203139 0.417454 Pd\n0.750000 0.296861 0.917454 Pd\n0.250000 0.703139 0.082546 Pd\n",
"nsites": 12,
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"elements": [
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"Pd"
],
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"density": 9.421617938233606,
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"volume": 270.755582148474,
"volume_molar": 13.587735227115447,
"formula_full": "Tb4 Sn4 Pd4",
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"formula_anonymous": "ABC",
"energy": -66.37371805,
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"spacegroup": 62
},
{
"id": "mp-849613",
"created_at": "2022-09-04T14:47:16.535910Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n8.799453 0.000000 0.000000\n-2.685819 8.438459 0.000000\n-1.558538 -2.202712 10.129629\nLi Mn B O\n10 12 12 36\ndirect\n0.096672 0.793015 0.814699 Li\n0.814048 0.102274 0.800928 Li\n0.223618 0.234572 0.517527 Li\n0.847142 0.544013 0.553594 Li\n0.563710 0.850133 0.548552 Li\n0.593150 0.291768 0.307440 Li\n0.969374 0.983852 0.266630 Li\n0.333068 0.036192 0.057143 Li\n0.062234 0.336527 0.038804 Li\n0.723461 0.748774 0.026200 Li\n0.200424 0.185714 0.809604 Mn\n0.813045 0.489543 0.839706 Mn\n0.480998 0.838177 0.837264 Mn\n0.581499 0.231157 0.595201 Mn\n0.237884 0.590324 0.582045 Mn\n0.935649 0.929007 0.567960 Mn\n0.336891 0.965704 0.345306 Mn\n0.992557 0.348461 0.333000 Mn\n0.683180 0.683557 0.317110 Mn\n0.081727 0.707252 0.103809 Mn\n0.724396 0.102909 0.089196 Mn\n0.428766 0.430046 0.073122 Mn\n0.000062 0.995788 0.999514 B\n0.536412 0.205412 0.871613 B\n0.194841 0.538183 0.876858 B\n0.760061 0.763516 0.751324 B\n0.964099 0.298520 0.633126 B\n0.294023 0.959475 0.629776 B\n0.509229 0.500571 0.498149 B\n0.039506 0.703061 0.373066 B\n0.712840 0.048465 0.375369 B\n0.247851 0.234460 0.247311 B\n0.793149 0.462399 0.126850 B\n0.448555 0.790590 0.116048 B\n0.016667 0.114055 0.923404 O\n0.399981 0.189945 0.933322 O\n0.073547 0.541959 0.949865 O\n0.098837 0.898529 0.997763 O\n0.261921 0.416352 0.890876 O\n0.627065 0.104113 0.888153 O\n0.572721 0.320095 0.796614 O\n0.240875 0.649513 0.800975 O\n0.658494 0.730684 0.838880 O\n0.059952 0.195269 0.644810 O\n0.841479 0.285930 0.702860 O\n0.178291 0.964569 0.709885 O\n0.864078 0.672797 0.732693 O\n0.320049 0.064131 0.544255 O\n0.377400 0.851016 0.638870 O\n0.763177 0.888377 0.683893 O\n0.378977 0.447494 0.557456 O\n0.996203 0.404498 0.549882 O\n0.588133 0.029502 0.445594 O\n0.615571 0.409823 0.486862 O\n0.538954 0.640925 0.450057 O\n0.127235 0.601432 0.385147 O\n0.133557 0.197232 0.327425 O\n0.920318 0.707083 0.444866 O\n0.743929 0.165397 0.299614 O\n0.068993 0.810065 0.283604 O\n0.361131 0.152592 0.242878 O\n0.806469 0.947511 0.380828 O\n0.245805 0.346150 0.170368 O\n0.661506 0.446346 0.187364 O\n0.315169 0.774772 0.176511 O\n0.541581 0.690814 0.128667 O\n0.881733 0.358013 0.129856 O\n0.839370 0.592119 0.060393 O\n0.488601 0.911103 0.045540 O\n0.884877 0.973202 0.079333 O\n",
"nsites": 70,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.166649760581271,
"density_atomic": 0.0930648496182714,
"volume": 752.1636824979828,
"volume_molar": 6.470907957946858,
"formula_full": "Li10 Mn12 B12 O36",
"formula_reduced": "Li5Mn6(BO3)6",
"formula_anonymous": "A5B6C6D18",
"energy": -560.5390162900001,
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"spacegroup": 1
},
{
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