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{
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"results": [
{
"id": "mp-759864",
"created_at": "2022-09-04T14:46:20.264197Z",
"structure_string": "Li2 V2 Cr2 P4 H4 O20\n1.0\n5.309750 0.000000 0.000000\n-2.539257 6.913180 0.000000\n-1.260220 -3.405427 9.714088\nLi V Cr P H O\n2 2 2 4 4 20\ndirect\n0.345865 0.933130 0.782188 Li\n0.654135 0.066870 0.217812 Li\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.251287 0.255471 0.252228 Cr\n0.748713 0.744529 0.747772 Cr\n0.848117 0.200173 0.976120 P\n0.351647 0.702311 0.474243 P\n0.151883 0.799827 0.023880 P\n0.648353 0.297689 0.525757 P\n0.961590 0.901178 0.246160 H\n0.038410 0.098822 0.753840 H\n0.434598 0.403739 0.743321 H\n0.565402 0.596261 0.256679 H\n0.772271 0.528572 0.596355 O\n0.890964 0.697035 0.074947 O\n0.868680 0.210025 0.560625 O\n0.912981 0.239330 0.131649 O\n0.087019 0.760670 0.868351 O\n0.012145 0.965918 0.686984 O\n0.987855 0.034082 0.313016 O\n0.227729 0.471428 0.403645 O\n0.109036 0.302965 0.925053 O\n0.380402 0.723562 0.064039 O\n0.131320 0.789975 0.439375 O\n0.391236 0.199270 0.582079 O\n0.283587 0.030955 0.105229 O\n0.491329 0.464344 0.180034 O\n0.508671 0.535656 0.819966 O\n0.431857 0.761619 0.632101 O\n0.568143 0.238381 0.367899 O\n0.619598 0.276438 0.935961 O\n0.608764 0.800730 0.417921 O\n0.716413 0.969045 0.894771 O\n",
"nsites": 34,
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"elements": [
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"V",
"Cr",
"P",
"H",
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],
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"density": 3.1092689830222042,
"density_atomic": 0.09535093261236528,
"volume": 356.57752964223045,
"volume_molar": 6.315764927525247,
"formula_full": "Li2 V2 Cr2 P4 H4 O20",
"formula_reduced": "LiVCrP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -257.15903305,
"energy_per_atom": -7.563500972058824,
"energy_above_hull": null,
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"energy_uncorrected": -236.02103305,
"band_gap": 1.406,
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"is_magnetic": true,
"total_magnetization": 8.000118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.033000Z",
"spacegroup": 2
},
{
"id": "mp-607785",
"created_at": "2022-09-04T14:46:24.275987Z",
"structure_string": "Rb12 Li2 Nd22 Se24 Cl32 O72\n1.0\n-8.009616 8.009616 12.578987\n8.009616 -8.009616 12.578987\n8.009616 8.009616 -12.578987\nRb Li Nd Se Cl O\n12 2 22 24 32 72\ndirect\n0.629666 0.620258 0.249924 Rb\n0.379742 0.629666 0.009407 Rb\n0.876655 0.376655 0.253309 Rb\n0.123345 0.623345 0.746691 Rb\n0.623345 0.876655 0.500000 Rb\n0.870334 0.120258 0.990593 Rb\n0.620258 0.370334 0.990593 Rb\n0.129666 0.879742 0.009407 Rb\n0.120258 0.129666 0.249924 Rb\n0.370334 0.379742 0.750076 Rb\n0.879742 0.870334 0.750076 Rb\n0.376655 0.123345 0.500000 Rb\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.996679 0.254160 0.500000 Nd\n0.254160 0.754160 0.257480 Nd\n0.250000 0.507048 0.257048 Nd\n0.250000 0.250000 0.000000 Nd\n0.007048 0.750000 0.257048 Nd\n0.500000 0.000000 0.000000 Nd\n0.503321 0.003321 0.257480 Nd\n0.000000 0.000000 0.500000 Nd\n0.245840 0.503321 0.500000 Nd\n0.750000 0.492952 0.742952 Nd\n0.992952 0.250000 0.742952 Nd\n0.250000 0.992952 0.742952 Nd\n0.745840 0.245840 0.742520 Nd\n0.750000 0.750000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.754160 0.496679 0.500000 Nd\n0.750000 0.007048 0.257048 Nd\n0.003321 0.745840 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.496679 0.996679 0.742520 Nd\n0.492952 0.750000 0.742952 Nd\n0.507048 0.250000 0.257048 Nd\n0.779406 0.063769 0.500000 Se\n0.010741 0.281683 0.972030 Se\n0.279406 0.779406 0.715637 Se\n0.936231 0.436231 0.715637 Se\n0.961289 0.989259 0.270943 Se\n0.809653 0.781683 0.270943 Se\n0.218317 0.489259 0.027970 Se\n0.461289 0.190347 0.972030 Se\n0.720594 0.220594 0.284363 Se\n0.038711 0.010741 0.729057 Se\n0.190347 0.218317 0.729057 Se\n0.989259 0.718317 0.027970 Se\n0.436231 0.720594 0.500000 Se\n0.510741 0.538711 0.729057 Se\n0.489259 0.461289 0.270943 Se\n0.220594 0.936231 0.500000 Se\n0.309653 0.038711 0.027970 Se\n0.690347 0.961289 0.972030 Se\n0.538711 0.809653 0.027970 Se\n0.281683 0.309653 0.270943 Se\n0.718317 0.690347 0.729057 Se\n0.781683 0.510741 0.972030 Se\n0.563769 0.279406 0.500000 Se\n0.063769 0.563769 0.284363 Se\n0.815624 0.315624 0.977786 Cl\n0.423422 0.923422 0.500000 Cl\n0.422761 0.422761 0.000000 Cl\n0.837838 0.815624 0.500000 Cl\n0.576578 0.076578 0.500000 Cl\n0.690585 0.432579 0.273489 Cl\n0.432579 0.159090 0.741993 Cl\n0.162162 0.184376 0.500000 Cl\n0.577239 0.577239 0.000000 Cl\n0.922761 0.922761 0.000000 Cl\n0.662162 0.162162 0.977786 Cl\n0.076578 0.576578 0.500000 Cl\n0.184376 0.684376 0.022214 Cl\n0.417097 0.690585 0.258007 Cl\n0.917097 0.659090 0.726511 Cl\n0.077239 0.077239 0.000000 Cl\n0.567421 0.840910 0.258007 Cl\n0.840910 0.582903 0.273489 Cl\n0.582903 0.309415 0.741993 Cl\n0.340910 0.067421 0.258007 Cl\n0.190585 0.917097 0.258007 Cl\n0.659090 0.932579 0.741993 Cl\n0.315624 0.337838 0.500000 Cl\n0.932579 0.190585 0.273489 Cl\n0.082903 0.340910 0.273489 Cl\n0.923422 0.423422 0.500000 Cl\n0.337838 0.837838 0.022214 Cl\n0.809415 0.082903 0.741993 Cl\n0.309415 0.567421 0.726511 Cl\n0.067421 0.809415 0.726511 Cl\n0.159090 0.417097 0.726511 Cl\n0.684376 0.662162 0.500000 Cl\n0.923084 0.594005 0.912765 O\n0.440992 0.063143 0.869586 O\n0.063857 0.683209 0.376229 O\n0.071405 0.693557 0.130414 O\n0.489682 0.818760 0.912765 O\n0.683209 0.306980 0.619352 O\n0.337982 0.175925 0.913055 O\n0.405995 0.318760 0.329079 O\n0.575074 0.662018 0.837943 O\n0.175925 0.262869 0.837943 O\n0.312372 0.936143 0.619352 O\n0.405292 0.625582 0.500000 O\n0.806443 0.428595 0.869586 O\n0.063143 0.193557 0.622152 O\n0.559008 0.936857 0.130414 O\n0.905995 0.576916 0.087235 O\n0.262869 0.424926 0.086945 O\n0.187628 0.806980 0.623771 O\n0.237131 0.324075 0.162057 O\n0.625582 0.125582 0.220290 O\n0.662018 0.824075 0.086945 O\n0.594005 0.681240 0.670921 O\n0.075074 0.237131 0.913055 O\n0.436143 0.812372 0.619352 O\n0.737131 0.575074 0.913055 O\n0.510318 0.181240 0.087235 O\n0.316791 0.693020 0.380648 O\n0.874418 0.094708 0.500000 O\n0.837982 0.924926 0.162057 O\n0.076916 0.405995 0.087235 O\n0.576916 0.489682 0.670921 O\n0.693557 0.563143 0.622152 O\n0.594708 0.374418 0.500000 O\n0.928595 0.306443 0.869586 O\n0.094005 0.423084 0.912765 O\n0.306443 0.436857 0.377848 O\n0.693020 0.312372 0.376229 O\n0.424926 0.337982 0.162057 O\n0.936143 0.316791 0.623771 O\n0.675925 0.837982 0.913055 O\n0.094708 0.594708 0.220290 O\n0.436857 0.059008 0.130414 O\n0.193557 0.571405 0.130414 O\n0.905292 0.405292 0.779710 O\n0.318760 0.989682 0.912765 O\n0.681240 0.010318 0.087235 O\n0.818760 0.905995 0.329079 O\n0.936857 0.806443 0.377848 O\n0.762869 0.675925 0.837943 O\n0.687628 0.063857 0.380648 O\n0.816791 0.436143 0.623771 O\n0.324075 0.162018 0.086945 O\n0.563857 0.187628 0.380648 O\n0.306980 0.687628 0.623771 O\n0.183209 0.563857 0.376229 O\n0.940992 0.071405 0.377848 O\n0.563143 0.940992 0.869586 O\n0.571405 0.440992 0.377848 O\n0.824075 0.737131 0.162057 O\n0.125582 0.905292 0.500000 O\n0.812372 0.193020 0.376229 O\n0.193020 0.816791 0.380648 O\n0.806980 0.183209 0.619352 O\n0.374418 0.874418 0.779710 O\n0.010318 0.923084 0.329079 O\n0.428595 0.559008 0.622152 O\n0.181240 0.094005 0.670921 O\n0.059008 0.928595 0.622152 O\n0.989682 0.076916 0.670921 O\n0.924926 0.762869 0.086945 O\n0.162018 0.075074 0.837943 O\n0.423084 0.510318 0.329079 O\n",
"nsites": 164,
"nelements": 6,
"elements": [
"Rb",
"Li",
"Nd",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Li-Nd-O-Rb-Se",
"density": 4.318224077698107,
"density_atomic": 0.0508059758539529,
"volume": 3227.9667350831955,
"volume_molar": 11.853213443456484,
"formula_full": "Rb12 Li2 Nd22 Se24 Cl32 O72",
"formula_reduced": "Rb6LiNd11Se12(Cl4O9)4",
"formula_anonymous": "AB6C11D12E16F36",
"energy": -1010.28203955,
"energy_per_atom": -6.160256338719512,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -941.17003955,
"band_gap": 3.2922,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:37:31.731000Z",
"spacegroup": 140
},
{
"id": "mp-1196706",
"created_at": "2022-09-04T14:46:15.331814Z",
"structure_string": "Sb2 H4 C2 S2 O6 F18\n1.0\n7.660222 0.000000 0.000000\n0.717662 7.973355 0.000000\n2.622332 3.159291 8.321148\nSb H C S O F\n2 4 2 2 6 18\ndirect\n0.630706 0.898582 0.748914 Sb\n0.369294 0.101418 0.251086 Sb\n0.717414 0.264293 0.474122 H\n0.282586 0.735707 0.525878 H\n0.593900 0.682724 0.129992 H\n0.406100 0.317276 0.870008 H\n0.966274 0.674792 0.224839 C\n0.033726 0.325208 0.775161 C\n0.780120 0.515102 0.254032 S\n0.219880 0.484898 0.745968 S\n0.612422 0.635113 0.244301 O\n0.387578 0.364887 0.755699 O\n0.748950 0.406391 0.430304 O\n0.251050 0.593609 0.569696 O\n0.831318 0.427409 0.140543 O\n0.168682 0.572591 0.859457 O\n0.923195 0.741090 0.343394 F\n0.076805 0.258910 0.656606 F\n0.982488 0.806113 0.082189 F\n0.017512 0.193887 0.917811 F\n0.119272 0.580000 0.226859 F\n0.880728 0.420000 0.773141 F\n0.582836 0.717242 0.965208 F\n0.417164 0.282758 0.034792 F\n0.381349 0.960139 0.784587 F\n0.618651 0.039861 0.215413 F\n0.879405 0.833855 0.704882 F\n0.120595 0.166145 0.295118 F\n0.580391 0.731555 0.662731 F\n0.419609 0.268445 0.337269 F\n0.682674 0.072183 0.827976 F\n0.317326 0.927817 0.172024 F\n0.684240 0.090277 0.533142 F\n0.315760 0.909723 0.466858 F\n",
"nsites": 34,
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"elements": [
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"H",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-H-O-S-Sb",
"density": 2.52778195981526,
"density_atomic": 0.06689801226478763,
"volume": 508.236326446073,
"volume_molar": 9.001972638834005,
"formula_full": "Sb2 H4 C2 S2 O6 F18",
"formula_reduced": "SbH2CS(OF3)3",
"formula_anonymous": "ABCD2E3F9",
"energy": -181.59234612,
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"updated_at": "2021-11-28T01:37:26.288000Z",
"spacegroup": 2
},
{
"id": "mp-753439",
"created_at": "2022-09-04T14:46:24.261686Z",
"structure_string": "Li6 Mn2 V2 P4 H4 O20\n1.0\n4.842520 -2.101602 5.037738\n6.082461 1.934697 -4.854320\n-2.046461 7.329879 0.038277\nLi Mn V P H O\n6 2 2 4 4 20\ndirect\n0.300574 0.832709 0.849087 Li\n0.800674 0.332643 0.849075 Li\n0.609484 0.820648 0.797852 Li\n0.109400 0.320693 0.797769 Li\n0.417776 0.177773 0.169342 Li\n0.917857 0.677679 0.169421 Li\n0.504698 0.497777 0.010561 Mn\n0.004767 0.997854 0.010714 Mn\n0.494309 0.503769 0.494236 V\n0.994329 0.003725 0.494361 V\n0.528792 0.848577 0.234548 P\n0.028681 0.348597 0.234509 P\n0.474954 0.149762 0.773940 P\n0.975048 0.649739 0.774009 P\n0.200541 0.854722 0.356930 H\n0.700546 0.354944 0.356727 H\n0.791871 0.125590 0.639174 H\n0.291845 0.625406 0.639137 H\n0.442357 0.615434 0.708436 O\n0.942362 0.115373 0.708571 O\n0.489195 0.735305 0.380501 O\n0.989319 0.235274 0.380574 O\n0.321351 0.009516 0.667480 O\n0.821512 0.509434 0.667518 O\n0.322297 0.938336 0.085340 O\n0.822141 0.438267 0.085237 O\n0.604895 0.745970 0.106554 O\n0.104889 0.245986 0.106578 O\n0.393035 0.253009 0.895014 O\n0.893117 0.753011 0.895007 O\n0.681240 0.057785 0.905910 O\n0.181342 0.557866 0.905941 O\n0.675616 0.990088 0.340903 O\n0.175417 0.490223 0.340757 O\n0.519516 0.271836 0.635663 O\n0.019472 0.771808 0.635616 O\n0.553904 0.387741 0.295335 O\n0.053982 0.887824 0.295387 O\n",
"nsites": 38,
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"elements": [
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"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 2.9347424717316817,
"density_atomic": 0.09576092564802584,
"volume": 396.8215610161386,
"volume_molar": 6.288724465900304,
"formula_full": "Li6 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li3MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E3F10",
"energy": -273.88190756,
"energy_per_atom": -7.20741862,
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"band_gap": 2.0258,
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"is_magnetic": true,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.480000Z",
"spacegroup": 1
},
{
"id": "mp-1180947",
"created_at": "2022-09-04T14:46:22.573059Z",
"structure_string": "K2 Tb2 Ru2 C12 N12 O8\n1.0\n3.627269 -6.636072 0.000000\n3.627269 6.636072 0.000000\n0.000000 0.000000 14.282466\nK Tb Ru C N O\n2 2 2 12 12 8\ndirect\n0.518634 0.481366 0.250000 K\n0.481366 0.518634 0.750000 K\n0.830917 0.169083 0.250000 Tb\n0.169083 0.830917 0.750000 Tb\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.628450 0.371550 0.078007 C\n0.371550 0.628450 0.921993 C\n0.628450 0.371550 0.421993 C\n0.371550 0.628450 0.578007 C\n0.248660 0.365428 0.413329 C\n0.365428 0.248660 0.586671 C\n0.248660 0.365428 0.086671 C\n0.365428 0.248660 0.913329 C\n0.751340 0.634572 0.586671 C\n0.634572 0.751340 0.413329 C\n0.751340 0.634572 0.913329 C\n0.634572 0.751340 0.086671 C\n0.695223 0.304777 0.132840 N\n0.304777 0.695223 0.867160 N\n0.695223 0.304777 0.367160 N\n0.304777 0.695223 0.632840 N\n0.117383 0.299528 0.355163 N\n0.299528 0.117383 0.644837 N\n0.117383 0.299528 0.144837 N\n0.299528 0.117383 0.855163 N\n0.882617 0.700472 0.644837 N\n0.700472 0.882617 0.355163 N\n0.882617 0.700472 0.855163 N\n0.700472 0.882617 0.144837 N\n0.349048 0.933463 0.250000 O\n0.933463 0.349048 0.750000 O\n0.650952 0.066537 0.750000 O\n0.066537 0.650952 0.250000 O\n0.182874 0.817126 0.321966 O\n0.817126 0.182874 0.678034 O\n0.182874 0.817126 0.178034 O\n0.817126 0.182874 0.821966 O\n",
"nsites": 38,
"nelements": 6,
"elements": [
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"Tb",
"Ru",
"C",
"N",
"O"
],
"chemical_system": "C-K-N-O-Ru-Tb",
"density": 2.5077606882588026,
"density_atomic": 0.05526619288583233,
"volume": 687.5812864204262,
"volume_molar": 10.896608659909692,
"formula_full": "K2 Tb2 Ru2 C12 N12 O8",
"formula_reduced": "KTbRuC6(N3O2)2",
"formula_anonymous": "ABCD4E6F6",
"energy": -288.941825,
"energy_per_atom": -7.603732236842105,
"energy_above_hull": null,
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"energy_uncorrected": -280.889825,
"band_gap": 1.0046000000000002,
"is_gap_direct": true,
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"updated_at": "2021-11-28T01:37:30.700000Z",
"spacegroup": 63
},
{
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{
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"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.470692 0.000000 0.014114\n0.000000 6.098325 0.000000\n0.019259 0.000000 14.317688\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.998155 0.500431 0.666922 Li\n0.999910 0.000585 0.000032 Li\n0.999910 0.499415 0.000032 Li\n0.999341 0.001119 0.333341 Li\n0.999341 0.498881 0.333341 Li\n0.998155 0.999569 0.666922 Li\n0.500874 0.000102 0.500577 Li\n0.500874 0.499898 0.500577 Li\n0.501277 0.001537 0.166794 Li\n0.501277 0.498463 0.166794 Li\n0.500782 0.000442 0.833235 Li\n0.500782 0.499558 0.833235 Li\n0.218341 0.750000 0.159865 Mn\n0.218559 0.750000 0.493105 Mn\n0.281791 0.250000 0.659536 Mn\n0.719744 0.750000 0.007094 Mn\n0.217835 0.750000 0.825184 Fe\n0.280429 0.250000 0.992821 Fe\n0.281485 0.250000 0.325750 Fe\n0.720019 0.750000 0.341349 Fe\n0.720047 0.750000 0.673318 Co\n0.781146 0.250000 0.839209 Co\n0.779533 0.250000 0.507353 Co\n0.780317 0.250000 0.173158 Co\n0.093183 0.250000 0.807472 P\n0.093562 0.250000 0.138249 P\n0.092664 0.250000 0.471406 P\n0.407476 0.750000 0.306263 P\n0.407907 0.750000 0.639670 P\n0.404749 0.750000 0.971837 P\n0.595373 0.250000 0.360536 P\n0.594054 0.250000 0.028222 P\n0.597376 0.250000 0.694382 P\n0.905674 0.750000 0.859357 P\n0.904349 0.750000 0.194651 P\n0.903348 0.750000 0.527543 P\n0.040872 0.750000 0.237025 O\n0.040044 0.750000 0.569558 O\n0.042243 0.750000 0.901469 O\n0.095934 0.250000 0.578794 O\n0.096751 0.250000 0.914192 O\n0.097469 0.250000 0.245982 O\n0.163978 0.049287 0.093065 O\n0.163978 0.450713 0.093065 O\n0.163439 0.049082 0.426280 O\n0.163439 0.450918 0.426280 O\n0.163897 0.046918 0.763234 O\n0.163897 0.453082 0.763234 O\n0.337861 0.548552 0.594675 O\n0.337861 0.951448 0.594675 O\n0.336454 0.547189 0.263025 O\n0.336454 0.952811 0.263025 O\n0.333837 0.547134 0.928275 O\n0.333837 0.952866 0.928275 O\n0.405621 0.750000 0.413811 O\n0.404252 0.750000 0.079187 O\n0.402973 0.750000 0.746914 O\n0.457748 0.250000 0.402004 O\n0.456297 0.250000 0.067839 O\n0.460458 0.250000 0.736474 O\n0.544294 0.750000 0.263955 O\n0.541724 0.750000 0.929615 O\n0.546031 0.750000 0.599040 O\n0.597780 0.250000 0.253396 O\n0.598353 0.250000 0.920604 O\n0.597888 0.250000 0.586605 O\n0.664467 0.049132 0.073923 O\n0.666193 0.047581 0.405284 O\n0.668026 0.046737 0.738465 O\n0.668026 0.453263 0.738465 O\n0.664467 0.450868 0.073923 O\n0.666193 0.452419 0.405284 O\n0.835153 0.545804 0.903474 O\n0.835153 0.954196 0.903474 O\n0.833136 0.546033 0.238229 O\n0.832141 0.546862 0.571895 O\n0.833136 0.953967 0.238229 O\n0.832141 0.953138 0.571895 O\n0.903342 0.750000 0.751852 O\n0.902883 0.750000 0.420362 O\n0.904878 0.750000 0.087415 O\n0.956044 0.250000 0.764998 O\n0.954923 0.250000 0.098780 O\n0.954394 0.250000 0.431344 O\n",
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{
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"structure_string": "Li1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.850579 -0.012416 0.021095\n-0.015426 5.979762 0.109105\n0.033489 0.154058 8.148702\nLi La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.966165 0.738858 0.590502 Li\n0.492697 0.459875 0.758701 La\n0.995997 0.037948 0.245841 La\n0.037170 0.395815 0.463315 Co\n0.505446 0.990452 0.002764 Co\n0.987052 0.521506 0.000242 Sb\n0.507270 0.992653 0.503901 Sb\n0.498767 0.549150 0.263229 Pb\n0.023685 0.056613 0.798658 Pb\n0.586553 0.976740 0.253857 O\n0.076049 0.517249 0.758304 O\n0.452142 0.037642 0.750180 O\n0.912297 0.477433 0.240110 O\n0.214831 0.834171 0.451692 O\n0.713819 0.712531 0.951883 O\n0.819723 0.129674 0.520466 O\n0.232634 0.277906 0.025942 O\n0.362002 0.296154 0.486361 O\n0.763280 0.256045 0.961704 O\n0.652914 0.690927 0.540538 O\n0.187602 0.790242 0.040142 O\n",
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"formula_full": "Li1 La2 Co2 Sb2 Pb2 O12",
"formula_reduced": "LiLa2Co2Sb2(PbO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -144.23369914,
"energy_per_atom": -6.868271387619048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.71369914,
"band_gap": 0.0195999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0023067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.471000Z",
"spacegroup": 1
}
]
}