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{
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"results": [
{
"id": "mp-4419",
"created_at": "2022-09-04T14:39:19.835086Z",
"structure_string": "Na2 Nb2 O6\n1.0\n5.573516 0.000000 0.000000\n0.000000 5.573516 0.000000\n0.000000 0.000000 4.017950\nNa Nb O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.801099 0.698901 0.000000 O\n0.698901 0.198901 0.000000 O\n0.301099 0.801099 0.000000 O\n0.198901 0.301099 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-849618",
"created_at": "2022-09-04T14:41:12.906574Z",
"structure_string": "Li10 Mn15 B15 O45\n1.0\n8.243196 0.000000 0.000000\n-4.111959 7.180034 0.000000\n-0.188079 -0.231345 15.847314\nLi Mn B O\n10 15 15 45\ndirect\n0.703962 0.720451 0.503344 Li\n0.697964 0.713553 0.902275 Li\n0.702354 0.729248 0.098577 Li\n0.019582 0.306648 0.297825 Li\n0.030492 0.296640 0.700298 Li\n0.008507 0.293771 0.101430 Li\n0.287036 0.981659 0.501765 Li\n0.289426 0.982727 0.697282 Li\n0.266989 0.969237 0.899767 Li\n0.285572 0.987527 0.300340 Li\n0.988148 0.618422 0.993346 Mn\n0.980049 0.637221 0.395157 Mn\n0.984189 0.600667 0.593543 Mn\n0.976497 0.630335 0.793180 Mn\n0.991204 0.648033 0.196838 Mn\n0.660098 0.014852 0.402460 Mn\n0.656882 0.006740 0.802501 Mn\n0.654908 0.010630 0.602047 Mn\n0.629341 0.003002 0.200521 Mn\n0.616795 0.016356 0.000881 Mn\n0.397289 0.382427 0.204976 Mn\n0.371108 0.363640 0.805338 Mn\n0.345839 0.342894 0.005130 Mn\n0.360835 0.364409 0.403198 Mn\n0.381049 0.370800 0.604398 Mn\n0.974636 0.988234 0.997777 B\n0.334324 0.664034 0.100138 B\n0.331954 0.669533 0.902447 B\n0.013336 0.022494 0.198095 B\n0.326621 0.664168 0.297993 B\n0.331883 0.664681 0.698534 B\n0.336690 0.678052 0.502640 B\n0.011351 0.999517 0.800812 B\n0.006719 0.001319 0.399568 B\n0.011640 0.991311 0.601612 B\n0.667503 0.333816 0.295948 B\n0.675850 0.326062 0.697143 B\n0.664066 0.341627 0.100389 B\n0.647843 0.320869 0.902450 B\n0.664759 0.332248 0.502761 B\n0.821845 0.890068 0.811479 O\n0.816788 0.887913 0.408406 O\n0.819782 0.896005 0.596499 O\n0.821335 0.922881 0.184990 O\n0.778726 0.887838 0.998994 O\n0.418767 0.554313 0.112002 O\n0.411601 0.557658 0.909034 O\n0.412581 0.561628 0.504114 O\n0.397650 0.541350 0.297617 O\n0.396694 0.541522 0.708462 O\n0.454979 0.854564 0.091657 O\n0.449530 0.866079 0.905375 O\n0.454276 0.868540 0.500521 O\n0.446392 0.855006 0.700882 O\n0.443687 0.854746 0.299677 O\n0.082479 0.190323 0.388687 O\n0.093086 0.190669 0.797594 O\n0.106099 0.182855 0.610818 O\n0.068811 0.177142 0.012616 O\n0.105177 0.217053 0.200348 O\n0.143454 0.584132 0.097436 O\n0.134918 0.588389 0.298237 O\n0.144576 0.604971 0.891512 O\n0.136311 0.584647 0.687501 O\n0.143889 0.608238 0.501212 O\n0.123018 0.917091 0.793167 O\n0.124621 0.924606 0.401619 O\n0.111755 0.895847 0.597934 O\n0.108912 0.926716 0.209060 O\n0.070362 0.893474 0.981661 O\n0.757552 0.214559 0.706036 O\n0.739870 0.213297 0.299553 O\n0.731847 0.216223 0.092949 O\n0.726877 0.207196 0.914141 O\n0.741691 0.220194 0.506560 O\n0.790158 0.516256 0.680589 O\n0.780057 0.522297 0.292514 O\n0.783131 0.531324 0.092985 O\n0.762251 0.508728 0.888120 O\n0.785091 0.529329 0.502770 O\n0.485673 0.254898 0.704367 O\n0.470676 0.258298 0.294540 O\n0.474722 0.269537 0.114899 O\n0.454430 0.243163 0.906092 O\n0.472208 0.262336 0.500048 O\n",
"nsites": 85,
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"elements": [
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],
"chemical_system": "B-Li-Mn-O",
"density": 3.1435546242520087,
"density_atomic": 0.09062356349938781,
"volume": 937.9459019019287,
"volume_molar": 6.645226172374784,
"formula_full": "Li10 Mn15 B15 O45",
"formula_reduced": "Li2Mn3(BO3)3",
"formula_anonymous": "A2B3C3D9",
"energy": -686.0630170500001,
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"updated_at": "2021-11-28T01:35:14.413000Z",
"spacegroup": 1
},
{
"id": "mp-1209571",
"created_at": "2022-09-04T14:45:29.143498Z",
"structure_string": "Rb2 Mn1 Fe1 C6 N6\n1.0\n0.000000 5.021104 5.021104\n5.021104 0.000000 5.021104\n5.021104 5.021104 0.000000\nRb Mn Fe C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.811930 0.188070 0.188070 C\n0.188070 0.811930 0.811930 C\n0.188070 0.811930 0.188070 C\n0.811930 0.188070 0.811930 C\n0.188070 0.188070 0.811930 C\n0.811930 0.811930 0.188070 C\n0.694037 0.305963 0.305963 N\n0.305963 0.694037 0.694037 N\n0.305963 0.694037 0.305963 N\n0.694037 0.305963 0.694037 N\n0.305963 0.305963 0.694037 N\n0.694037 0.694037 0.305963 N\n",
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"elements": [
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"C",
"N"
],
"chemical_system": "C-Fe-Mn-N-Rb",
"density": 2.8715743700844345,
"density_atomic": 0.06319639959722227,
"volume": 253.1789801630291,
"volume_molar": 9.529246600093806,
"formula_full": "Rb2 Mn1 Fe1 C6 N6",
"formula_reduced": "Rb2MnFe(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy": -129.14034978,
"energy_per_atom": -8.07127186125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:02.373000Z",
"spacegroup": 225
},
{
"id": "mp-1520089",
"created_at": "2022-09-04T14:45:18.181483Z",
"structure_string": "Na1 Eu1 Nb1 Sb1 O6\n1.0\n-0.000000 -4.125188 -4.125188\n4.125188 0.000000 -4.125188\n4.125188 -4.125188 0.000000\nNa Eu Nb Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Sb\n0.756696 0.243304 0.243304 O\n0.243304 0.756696 0.756696 O\n0.756696 0.243304 0.756696 O\n0.243304 0.756696 0.243304 O\n0.756696 0.756696 0.243304 O\n0.243304 0.243304 0.756696 O\n",
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"elements": [
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],
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"density": 5.743562392657248,
"density_atomic": 0.07122603472978864,
"volume": 140.39810074977726,
"volume_molar": 8.454971251518202,
"formula_full": "Na1 Eu1 Nb1 Sb1 O6",
"formula_reduced": "NaEuNbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.71244934999999,
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"updated_at": "2021-11-28T01:36:57.473000Z",
"spacegroup": 216
},
{
"id": "mp-1233192",
"created_at": "2022-09-04T14:48:01.965465Z",
"structure_string": "Mg1 Mn6 P6 O24\n1.0\n8.534074 0.358718 -2.677459\n-3.647082 7.355320 -2.910229\n0.097105 -0.120530 8.829979\nMg Mn P O\n1 6 6 24\ndirect\n0.110846 0.884909 0.750841 Mg\n0.048134 0.449215 0.261049 Mn\n0.235030 0.047482 0.453228 Mn\n0.729498 0.958109 0.543395 Mn\n0.546052 0.764118 0.913483 Mn\n0.482825 0.281989 0.058842 Mn\n0.928543 0.519117 0.760310 Mn\n0.590704 0.396179 0.781073 P\n0.096470 0.264585 0.886013 P\n0.863190 0.077371 0.285995 P\n0.301762 0.891952 0.072694 P\n0.791558 0.580498 0.396512 P\n0.358813 0.784334 0.577089 P\n0.407243 0.295503 0.640946 O\n0.895351 0.636765 0.599718 O\n0.926764 0.592768 0.317669 O\n0.421381 0.794606 0.056522 O\n0.291438 0.321604 0.948200 O\n0.747846 0.971664 0.080632 O\n0.544294 0.901628 0.630288 O\n0.314463 0.967128 0.259198 O\n0.999748 0.059630 0.749301 O\n0.271752 0.642636 0.376647 O\n0.755683 0.078922 0.393168 O\n0.991269 0.997661 0.336038 O\n0.349319 0.686830 0.695149 O\n0.253356 0.902117 0.609077 O\n0.958734 0.274825 0.327263 O\n0.714596 0.713312 0.383560 O\n0.715165 0.337689 0.704164 O\n0.113404 0.765476 0.925344 O\n0.053982 0.378484 0.793722 O\n0.652255 0.385764 0.301055 O\n0.656587 0.602615 0.846338 O\n0.338731 0.037497 0.004147 O\n0.618200 0.356928 0.944963 O\n0.044156 0.295802 0.041219 O\n",
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"elements": [
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"volume": 563.4577860763997,
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"formula_full": "Mg1 Mn6 P6 O24",
"formula_reduced": "MgMn6(PO4)6",
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{
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"created_at": "2022-09-04T14:43:23.978756Z",
"structure_string": "Ce1 B2 Ir2 Rh1\n1.0\n2.761960 -4.782046 0.000000\n2.761960 4.782046 0.000000\n0.000000 0.000000 3.133568\nCe B Ir Rh\n1 2 2 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.166956 0.833044 0.000000 B\n0.833044 0.166956 0.000000 B\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.000000 0.500000 Rh\n",
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"formula_full": "Ce1 B2 Ir2 Rh1",
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"updated_at": "2021-11-28T01:36:18.059000Z",
"spacegroup": 65
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{
"id": "mp-1215408",
"created_at": "2022-09-04T14:41:14.041030Z",
"structure_string": "Zr3 Ti3 P2\n1.0\n0.000000 0.000000 -3.709987\n-1.536001 -3.239487 0.000000\n-10.237441 4.855463 0.000000\nZr Ti P\n3 3 2\ndirect\n0.000000 0.855135 0.996027 Zr\n0.000000 0.364709 0.383818 Zr\n0.000000 0.864579 0.682408 Zr\n0.500000 0.858958 0.220042 Ti\n0.500000 0.364788 0.595481 Ti\n0.500000 0.360357 0.836038 Ti\n0.500000 0.356127 0.063431 P\n0.500000 0.864280 0.444986 P\n",
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"formula_full": "Zr3 Ti3 P2",
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{
"id": "mp-1516802",
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"structure_string": "Ca1 Nb1 V1 Sn1 O6\n1.0\n-0.000000 -3.996459 -3.996459\n3.996459 -0.000000 -3.996459\n3.996459 -3.996459 0.000000\nCa Nb V Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.750000 0.750000 0.750000 Sn\n0.749226 0.250774 0.250774 O\n0.250774 0.749226 0.749226 O\n0.749226 0.250774 0.749226 O\n0.250774 0.749226 0.250774 O\n0.749226 0.749226 0.250774 O\n0.250774 0.250774 0.749226 O\n",
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"formula_full": "Ca1 Nb1 V1 Sn1 O6",
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"spacegroup": 216
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{
"id": "mp-556588",
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"structure_string": "Si4 O8\n1.0\n4.815082 0.000000 0.000000\n-1.256060 4.693349 0.000000\n-0.352506 -0.167138 5.936045\nSi O\n4 8\ndirect\n0.922264 0.884831 0.103646 Si\n0.053957 0.677517 0.553732 Si\n0.570227 0.170016 0.800746 Si\n0.275746 0.476359 0.169975 Si\n0.262101 0.997680 0.657986 O\n0.704943 0.899568 0.881757 O\n0.496917 0.357872 0.017488 O\n0.182705 0.741822 0.041042 O\n0.310158 0.561624 0.440783 O\n0.834824 0.743089 0.347372 O\n0.995427 0.216288 0.171143 O\n0.830932 0.408613 0.680400 O\n",
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{
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"structure_string": "Dy2 Fe17\n1.0\n4.792294 -4.251416 0.000000\n4.792294 4.251416 0.000000\n1.020710 0.000000 6.324458\nDy Fe\n2 17\ndirect\n0.658223 0.658223 0.658223 Dy\n0.341777 0.341777 0.341777 Dy\n0.902356 0.902356 0.902356 Fe\n0.097644 0.097644 0.097644 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.706859 0.293141 0.000000 Fe\n0.000000 0.706859 0.293141 Fe\n0.293141 0.000000 0.706859 Fe\n0.000000 0.293141 0.706859 Fe\n0.706859 0.000000 0.293141 Fe\n0.293141 0.706859 0.000000 Fe\n0.344223 0.344223 0.844771 Fe\n0.844771 0.344223 0.344223 Fe\n0.344223 0.844771 0.344223 Fe\n0.655777 0.655777 0.155229 Fe\n0.155229 0.655777 0.655777 Fe\n0.655777 0.155229 0.655777 Fe\n",
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