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{
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"results": [
{
"id": "mp-1180113",
"created_at": "2022-09-04T14:39:09.142345Z",
"structure_string": "Na1 V1 Cu3 Se4\n1.0\n5.877048 0.000000 0.000000\n0.000000 5.877048 0.000000\n0.000000 0.000000 5.877048\nNa V Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.231256 0.231256 0.231256 Se\n0.768744 0.768744 0.231256 Se\n0.231256 0.768744 0.768744 Se\n0.768744 0.231256 0.768744 Se\n",
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"formula_full": "Na1 V1 Cu3 Se4",
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},
{
"id": "mp-765203",
"created_at": "2022-09-04T14:39:09.143265Z",
"structure_string": "Li11 Cr3 Fe3 O16\n1.0\n2.953316 5.203058 0.000000\n-2.953316 5.203058 0.000000\n0.000000 1.345136 9.956693\nLi Cr Fe O\n11 3 3 16\ndirect\n0.045524 0.045524 0.996566 Li\n0.636242 0.142932 0.442579 Li\n0.302410 0.302410 0.944447 Li\n0.351695 0.351695 0.203575 Li\n0.225290 0.225290 0.443815 Li\n0.142932 0.636242 0.442579 Li\n0.640673 0.640673 0.462877 Li\n0.672798 0.672798 0.710891 Li\n0.544556 0.544556 0.990507 Li\n0.800852 0.800852 0.929776 Li\n0.028510 0.028510 0.512130 Li\n0.850295 0.351375 0.219381 Cr\n0.351375 0.850295 0.219381 Cr\n0.170305 0.170305 0.716300 Cr\n0.669046 0.172885 0.713470 Fe\n0.172885 0.669046 0.713470 Fe\n0.848921 0.848921 0.211581 Fe\n0.184288 0.184288 0.114724 O\n0.488650 0.009859 0.820514 O\n0.715273 0.197444 0.107413 O\n0.988568 0.988568 0.825031 O\n0.341983 0.341983 0.590415 O\n0.009859 0.488650 0.820514 O\n0.476997 0.476997 0.818240 O\n0.855825 0.332309 0.604119 O\n0.197444 0.715273 0.107413 O\n0.504208 0.521180 0.327464 O\n0.332309 0.855825 0.604119 O\n0.987979 0.511480 0.328309 O\n0.692183 0.692183 0.106904 O\n0.511480 0.987979 0.328309 O\n0.861614 0.861614 0.601686 O\n0.002528 0.002528 0.331323 O\n",
"nsites": 33,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 3.559177578182536,
"density_atomic": 0.10784505650493485,
"volume": 305.99455431218547,
"volume_molar": 5.5840675086710485,
"formula_full": "Li11 Cr3 Fe3 O16",
"formula_reduced": "Li11Cr3Fe3O16",
"formula_anonymous": "A3B3C11D16",
"energy": -221.73856713,
"energy_per_atom": -6.719350519090909,
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"updated_at": "2021-11-28T01:34:33.337000Z",
"spacegroup": 1
},
{
"id": "mp-777359",
"created_at": "2022-09-04T14:39:09.396347Z",
"structure_string": "Li5 Mn8 B8 O24\n1.0\n5.335068 0.000000 0.000000\n-0.080040 9.024467 0.000000\n-2.262416 -4.418235 10.395464\nLi Mn B O\n5 8 8 24\ndirect\n0.932210 0.063435 0.165184 Li\n0.872399 0.708003 0.422176 Li\n0.697202 0.849015 0.662910 Li\n0.592601 0.455662 0.922526 Li\n0.353405 0.219663 0.406510 Li\n0.914720 0.711288 0.128412 Mn\n0.847576 0.353027 0.377984 Mn\n0.654204 0.176104 0.625450 Mn\n0.405678 0.233290 0.126966 Mn\n0.604045 0.793666 0.890078 Mn\n0.353105 0.864515 0.383117 Mn\n0.174611 0.624609 0.632719 Mn\n0.084860 0.246523 0.868707 Mn\n0.878425 0.367253 0.112525 B\n0.865865 0.014024 0.377631 B\n0.631146 0.496637 0.617204 B\n0.412767 0.902506 0.146540 B\n0.603830 0.120681 0.863347 B\n0.365732 0.530350 0.386569 B\n0.146653 0.974128 0.623022 B\n0.098441 0.592860 0.870719 B\n0.996386 0.134500 0.363308 O\n0.960727 0.862912 0.351537 O\n0.809772 0.271226 0.174421 O\n0.753079 0.495572 0.109189 O\n0.867645 0.478797 0.583050 O\n0.639443 0.874180 0.099994 O\n0.875329 0.633657 0.918593 O\n0.632747 0.041815 0.418577 O\n0.701545 0.240400 0.827112 O\n0.711653 0.980938 0.842839 O\n0.503497 0.662148 0.393471 O\n0.444083 0.375957 0.335574 O\n0.550712 0.651598 0.665076 O\n0.318521 0.796132 0.196949 O\n0.476526 0.363602 0.594665 O\n0.275826 0.026916 0.142518 O\n0.373025 0.971939 0.573822 O\n0.082272 0.317553 0.051393 O\n0.398519 0.158057 0.922420 O\n0.137849 0.545343 0.434919 O\n0.225654 0.466236 0.876956 O\n0.201461 0.694378 0.818147 O\n0.053460 0.123351 0.680084 O\n0.021327 0.835120 0.610375 O\n",
"nsites": 45,
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"elements": [
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"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.134222182222576,
"density_atomic": 0.08990981717762371,
"volume": 500.50151821684904,
"volume_molar": 6.697979096212375,
"formula_full": "Li5 Mn8 B8 O24",
"formula_reduced": "Li5Mn8(BO3)8",
"formula_anonymous": "A5B8C8D24",
"energy": -365.30189694,
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"energy_uncorrected": -335.46989694,
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"updated_at": "2021-11-28T01:34:27.129000Z",
"spacegroup": 1
},
{
"id": "mp-1229109",
"created_at": "2022-09-04T14:39:09.138310Z",
"structure_string": "Cs2 Os1 Br1 Cl1 F4\n1.0\n-3.639443 3.639443 4.363197\n3.639443 -3.639443 4.363197\n3.639443 3.639443 -4.363197\nCs Os Br Cl F\n2 1 1 1 4\ndirect\n0.748664 0.248664 0.500000 Cs\n0.248664 0.748664 0.500000 Cs\n0.999733 0.999733 0.000000 Os\n0.286922 0.286922 0.000000 Br\n0.730116 0.730116 0.000000 Cl\n0.806768 0.806768 0.616785 F\n0.189983 0.189983 0.383215 F\n0.189983 0.806768 0.000000 F\n0.806768 0.189983 0.000000 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Cs",
"Os",
"Br",
"Cl",
"F"
],
"chemical_system": "Br-Cl-Cs-F-Os",
"density": 4.6503050685687555,
"density_atomic": 0.038932101969694426,
"volume": 231.1716949422816,
"volume_molar": 15.468316518557778,
"formula_full": "Cs2 Os1 Br1 Cl1 F4",
"formula_reduced": "Cs2OsBrClF4",
"formula_anonymous": "ABCD2E4",
"energy": -43.753062400000005,
"energy_per_atom": -4.861451377777779,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:27.382000Z",
"spacegroup": 107
},
{
"id": "mp-703684",
"created_at": "2022-09-04T14:39:09.181628Z",
"structure_string": "Mn2 H24 N4 Cl8 O4\n1.0\n-2.838769 -5.591220 4.219303\n6.266775 0.001661 4.217705\n-3.485366 5.679297 5.185180\nMn H N Cl O\n2 24 4 8 4\ndirect\n0.499639 0.500324 0.500340 Mn\n0.001169 0.000948 0.999644 Mn\n0.426037 0.426158 0.168288 H\n0.926353 0.926257 0.667621 H\n0.074250 0.074042 0.667316 H\n0.574063 0.573898 0.167833 H\n0.926170 0.073993 0.331978 H\n0.425540 0.573646 0.832861 H\n0.573498 0.425946 0.832171 H\n0.074203 0.926235 0.331874 H\n0.086218 0.570491 0.321331 H\n0.587476 0.070024 0.821311 H\n0.429167 0.911862 0.321050 H\n0.928238 0.413211 0.821098 H\n0.070337 0.412393 0.178991 H\n0.571156 0.912476 0.678499 H\n0.587910 0.928200 0.179139 H\n0.086666 0.429281 0.678906 H\n0.570883 0.086289 0.321453 H\n0.070144 0.587493 0.821127 H\n0.911865 0.428731 0.321088 H\n0.413285 0.928031 0.821224 H\n0.413558 0.069962 0.178482 H\n0.912463 0.571242 0.678467 H\n0.928648 0.586850 0.178551 H\n0.429231 0.086729 0.679198 H\n0.500391 0.999089 0.250030 N\n0.999389 0.500350 0.749890 N\n0.999287 0.499587 0.249989 N\n0.500302 0.999329 0.750062 N\n0.241793 0.241194 0.022036 Cl\n0.740330 0.741250 0.521565 Cl\n0.739721 0.259833 0.478043 Cl\n0.241140 0.759595 0.978029 Cl\n0.760034 0.241011 0.977736 Cl\n0.258609 0.741036 0.477940 Cl\n0.259146 0.260250 0.522840 Cl\n0.760782 0.760256 0.022126 Cl\n0.000787 0.000843 0.262693 O\n0.500167 0.500842 0.763244 O\n0.499657 0.500619 0.237202 O\n0.000298 0.000206 0.736737 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
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"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-Mn-N-O",
"density": 1.8523185792470251,
"density_atomic": 0.08712919142929615,
"volume": 482.0428069056773,
"volume_molar": 6.911737227455926,
"formula_full": "Mn2 H24 N4 Cl8 O4",
"formula_reduced": "MnH12N2(Cl2O)2",
"formula_anonymous": "AB2C2D4E12",
"energy": -211.64092182,
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"updated_at": "2021-11-28T01:34:41.528000Z",
"spacegroup": 121
},
{
"id": "mp-1075475",
"created_at": "2022-09-04T14:39:09.197959Z",
"structure_string": "Mg10 Si12\n1.0\n5.302349 0.000000 0.000000\n-0.648586 5.485489 0.000000\n-1.624731 -0.340225 13.498643\nMg Si\n10 12\ndirect\n0.868211 0.901754 0.030142 Mg\n0.411198 0.174492 0.316906 Mg\n0.950678 0.490486 0.615144 Mg\n0.122146 0.908729 0.463287 Mg\n0.649551 0.537865 0.187029 Mg\n0.814950 0.654105 0.830006 Mg\n0.473366 0.789736 0.655563 Mg\n0.946342 0.397714 0.383573 Mg\n0.294339 0.553066 0.997252 Mg\n0.377034 0.026063 0.879803 Mg\n0.769204 0.387321 0.002269 Si\n0.093036 0.310095 0.145677 Si\n0.392715 0.413502 0.504107 Si\n0.671937 0.073883 0.514162 Si\n0.270099 0.507507 0.803995 Si\n0.402622 0.988232 0.117548 Si\n0.575900 0.713089 0.389521 Si\n0.495046 0.281231 0.699383 Si\n0.003462 0.990336 0.659564 Si\n0.193642 0.711133 0.242674 Si\n0.841892 0.024987 0.239385 Si\n0.882632 0.157420 0.819383 Si\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.4533540399369187,
"density_atomic": 0.056033649744145826,
"volume": 392.6212213634803,
"volume_molar": 10.747364820063625,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
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"energy": -77.87281356999999,
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"updated_at": "2021-11-28T01:34:34.038000Z",
"spacegroup": 1
},
{
"id": "mp-1212372",
"created_at": "2022-09-04T14:39:09.410550Z",
"structure_string": "Li3 Ir1 F6\n1.0\n-3.452548 -5.628352 1.326343\n-2.441088 5.081694 -0.621908\n0.636403 1.881456 -6.109317\nLi Ir F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ir\n0.121913 0.397511 0.835008 F\n0.878087 0.602489 0.164992 F\n0.903890 0.775236 0.742371 F\n0.096110 0.224764 0.257629 F\n0.632945 0.895969 0.922867 F\n0.367055 0.104031 0.077133 F\n",
"nsites": 10,
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"elements": [
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"F"
],
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"density": 3.0349468105969786,
"density_atomic": 0.05588739097590394,
"volume": 178.93123699962192,
"volume_molar": 10.775490955726433,
"formula_full": "Li3 Ir1 F6",
"formula_reduced": "Li3IrF6",
"formula_anonymous": "AB3C6",
"energy": -50.33409419,
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"updated_at": "2021-11-28T01:34:35.539000Z",
"spacegroup": 2
},
{
"id": "mp-1219719",
"created_at": "2022-09-04T14:39:09.146492Z",
"structure_string": "Sm4 V20 Cu15 O60\n1.0\n11.106222 -5.241872 0.000000\n11.106222 5.241872 0.000000\n8.632183 0.000000 8.735606\nSm V Cu O\n4 20 15 60\ndirect\n0.800946 0.800946 0.800946 Sm\n0.600754 0.600754 0.600754 Sm\n0.399246 0.399246 0.399246 Sm\n0.199054 0.199054 0.199054 Sm\n0.902350 0.902350 0.902350 V\n0.097650 0.097650 0.097650 V\n0.300060 0.300060 0.300060 V\n0.699940 0.699940 0.699940 V\n0.500000 0.500000 0.500000 V\n0.190899 0.712615 0.194250 V\n0.400814 0.897755 0.402512 V\n0.599186 0.102245 0.597488 V\n0.000000 0.500000 0.000000 V\n0.809101 0.287385 0.805750 V\n0.194250 0.190899 0.712615 V\n0.402512 0.400814 0.897755 V\n0.597488 0.599186 0.102245 V\n0.000000 0.000000 0.500000 V\n0.805750 0.809101 0.287385 V\n0.287385 0.805750 0.809101 V\n0.500000 0.000000 0.000000 V\n0.712615 0.194250 0.190899 V\n0.102245 0.597488 0.599186 V\n0.897755 0.402512 0.400814 V\n0.500000 0.000000 0.500000 Cu\n0.699736 0.200603 0.700405 Cu\n0.898195 0.402001 0.900301 Cu\n0.300264 0.799397 0.299595 Cu\n0.101805 0.597999 0.099699 Cu\n0.099699 0.101805 0.597999 Cu\n0.299595 0.300264 0.799397 Cu\n0.500000 0.500000 0.000000 Cu\n0.900301 0.898195 0.402001 Cu\n0.700405 0.699736 0.200603 Cu\n0.402001 0.900301 0.898195 Cu\n0.597999 0.099699 0.101805 Cu\n0.799397 0.299595 0.300264 Cu\n0.200603 0.700405 0.699736 Cu\n0.000000 0.500000 0.500000 Cu\n0.196162 0.380073 0.671139 O\n0.999472 0.179228 0.469894 O\n0.790783 0.976189 0.285642 O\n0.599215 0.774761 0.075392 O\n0.399568 0.575418 0.876475 O\n0.000528 0.820772 0.530106 O\n0.803838 0.619927 0.328861 O\n0.600432 0.424582 0.123525 O\n0.400785 0.225239 0.924608 O\n0.209217 0.023811 0.714358 O\n0.084608 0.896043 0.212514 O\n0.883954 0.700717 0.004618 O\n0.682346 0.507761 0.802784 O\n0.480886 0.303330 0.604223 O\n0.282469 0.109335 0.400613 O\n0.116046 0.299283 0.995382 O\n0.915392 0.103957 0.787486 O\n0.717531 0.890665 0.599387 O\n0.519114 0.696670 0.395777 O\n0.317654 0.492239 0.197216 O\n0.123525 0.600432 0.424582 O\n0.924608 0.400785 0.225239 O\n0.714358 0.209217 0.023811 O\n0.530106 0.000528 0.820772 O\n0.328861 0.803838 0.619927 O\n0.075392 0.599215 0.774761 O\n0.876475 0.399568 0.575418 O\n0.671139 0.196162 0.380073 O\n0.469894 0.999472 0.179228 O\n0.285642 0.790783 0.976189 O\n0.395777 0.519114 0.696670 O\n0.197216 0.317654 0.492239 O\n0.995382 0.116046 0.299283 O\n0.787486 0.915392 0.103957 O\n0.599387 0.717531 0.890665 O\n0.802784 0.682346 0.507761 O\n0.604223 0.480886 0.303330 O\n0.400613 0.282469 0.109335 O\n0.212514 0.084608 0.896043 O\n0.004618 0.883954 0.700717 O\n0.303330 0.604223 0.480886 O\n0.109335 0.400613 0.282469 O\n0.896043 0.212514 0.084608 O\n0.700717 0.004618 0.883954 O\n0.507761 0.802784 0.682346 O\n0.890665 0.599387 0.717531 O\n0.696670 0.395777 0.519114 O\n0.492239 0.197216 0.317654 O\n0.299283 0.995382 0.116046 O\n0.103957 0.787486 0.915392 O\n0.976189 0.285642 0.790783 O\n0.774761 0.075392 0.599215 O\n0.575418 0.876475 0.399568 O\n0.380073 0.671139 0.196162 O\n0.179228 0.469894 0.999472 O\n0.225239 0.924608 0.400785 O\n0.023811 0.714358 0.209217 O\n0.820772 0.530106 0.000528 O\n0.619927 0.328861 0.803838 O\n0.424582 0.123525 0.600432 O\n",
"nsites": 99,
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"elements": [
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"V",
"Cu",
"O"
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