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{
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"results": [
{
"id": "mp-1191084",
"created_at": "2022-09-04T14:43:17.387263Z",
"structure_string": "Na4 Mn2 P2 H2 O6 F8\n1.0\n-5.519536 0.000279 1.941166\n-0.053369 -0.000918 -7.048814\n0.000029 -7.973815 -0.001026\nNa Mn P H O F\n4 2 2 2 6 8\ndirect\n0.499984 0.000005 0.500005 Na\n0.499993 0.000025 0.000001 Na\n0.480946 0.459093 0.749951 Na\n0.519100 0.540906 0.250044 Na\n0.999937 0.499957 0.000045 Mn\n0.000031 0.500044 0.499992 Mn\n0.955906 0.881092 0.749908 P\n0.044102 0.118909 0.250108 P\n0.915252 0.185698 0.749955 H\n0.084737 0.814286 0.250032 H\n0.810256 0.035093 0.749889 O\n0.189727 0.964885 0.250109 O\n0.919873 0.765605 0.588801 O\n0.080089 0.234419 0.088971 O\n0.080100 0.234395 0.411206 O\n0.919964 0.765566 0.911034 O\n0.061448 0.394788 0.749986 F\n0.938553 0.605210 0.250008 F\n0.235695 0.029576 0.749878 F\n0.764294 0.970430 0.250100 F\n0.632483 0.335219 0.517228 F\n0.367520 0.664810 0.017287 F\n0.367575 0.664814 0.482745 F\n0.632437 0.335176 0.982715 F\n",
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"formula_full": "Na4 Mn2 P2 H2 O6 F8",
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"spacegroup": 11
},
{
"id": "mp-1244894",
"created_at": "2022-09-04T14:43:05.039650Z",
"structure_string": "Sn34 O68\n1.0\n11.813092 -0.082161 0.021938\n-0.100530 10.301938 0.417840\n0.034677 0.402017 11.966077\nSn O\n34 68\ndirect\n0.529046 0.384232 0.835012 Sn\n0.267643 0.065702 0.283932 Sn\n0.401587 0.814463 0.111989 Sn\n0.050397 0.116489 0.486994 Sn\n0.111183 0.556373 0.001816 Sn\n0.759042 0.508759 0.946519 Sn\n0.917217 0.472634 0.261287 Sn\n0.175112 0.360758 0.260908 Sn\n0.695536 0.943669 0.627086 Sn\n0.882058 0.786472 0.402182 Sn\n0.907241 0.738721 0.031771 Sn\n0.343879 0.747265 0.551665 Sn\n0.518818 0.682356 0.764972 Sn\n0.902523 0.002431 0.811712 Sn\n0.680520 0.696972 0.212471 Sn\n0.592515 0.025034 0.879294 Sn\n0.809285 0.397931 0.566270 Sn\n0.079341 0.503440 0.503091 Sn\n0.554778 0.215048 0.586728 Sn\n0.167811 0.952137 0.020729 Sn\n0.908750 0.697815 0.679007 Sn\n0.342264 0.419848 0.490084 Sn\n0.618237 0.347323 0.335625 Sn\n0.174286 0.885825 0.798207 Sn\n0.973718 0.243454 0.038028 Sn\n0.597990 0.662263 0.475102 Sn\n0.176555 0.724443 0.302139 Sn\n0.699213 0.246911 0.120182 Sn\n0.561077 0.979678 0.352726 Sn\n0.408894 0.488180 0.149720 Sn\n0.342049 0.214116 0.003752 Sn\n0.048536 0.313363 0.769199 Sn\n0.282841 0.178384 0.739488 Sn\n0.932090 0.982474 0.202057 Sn\n0.134183 0.172313 0.326496 O\n0.448998 0.570564 0.534027 O\n0.298104 0.986519 0.715852 O\n0.218286 0.389406 0.737582 O\n0.975004 0.449905 0.655689 O\n0.989924 0.677307 0.512036 O\n0.511730 0.654940 0.128262 O\n0.193817 0.978958 0.435364 O\n0.489205 0.322538 0.447428 O\n0.648376 0.341410 0.952977 O\n0.688713 0.810237 0.365208 O\n0.837291 0.831523 0.158073 O\n0.633352 0.881311 0.135336 O\n0.642073 0.564495 0.829376 O\n0.951731 0.178406 0.871493 O\n0.932142 0.408828 0.437780 O\n0.544304 0.365708 0.182169 O\n0.416811 0.077558 0.348695 O\n0.304786 0.673422 0.196486 O\n0.381685 0.253560 0.613464 O\n0.475475 0.806633 0.425056 O\n0.414509 0.394593 0.995748 O\n0.935227 0.921715 0.962722 O\n0.572318 0.053376 0.706486 O\n0.642748 0.148033 0.277783 O\n0.837579 0.361260 0.032355 O\n0.236434 0.903390 0.199110 O\n0.845533 0.126223 0.115156 O\n0.611546 0.045755 0.502134 O\n0.526367 0.925447 0.183607 O\n0.700151 0.288188 0.485052 O\n0.819496 0.112218 0.681226 O\n0.740490 0.576568 0.555663 O\n0.884787 0.229591 0.643766 O\n0.604291 0.558364 0.333871 O\n0.828979 0.630692 0.309640 O\n0.388810 0.780406 0.940936 O\n0.347879 0.008419 0.032405 O\n0.597319 0.771307 0.627648 O\n0.498333 0.820456 0.882770 O\n0.015875 0.329918 0.190517 O\n0.767072 0.373363 0.242816 O\n0.969780 0.568752 0.107599 O\n0.435741 0.205204 0.850574 O\n0.892287 0.986935 0.363961 O\n0.065573 0.072699 0.106195 O\n0.127334 0.609658 0.829670 O\n0.013329 0.890791 0.728767 O\n0.208643 0.839860 0.446934 O\n0.827017 0.846032 0.562098 O\n0.224595 0.465772 0.104988 O\n0.743748 0.636209 0.066709 O\n0.177125 0.349428 0.455286 O\n0.889551 0.630587 0.893486 O\n0.424100 0.523528 0.772675 O\n0.209790 0.180978 0.901191 O\n0.056618 0.384055 0.932250 O\n0.115606 0.167580 0.682444 O\n0.278278 0.218338 0.162223 O\n0.621932 0.334478 0.697231 O\n0.333842 0.426132 0.303934 O\n0.216885 0.696097 0.787650 O\n0.745058 0.911687 0.794920 O\n0.086538 0.537838 0.310252 O\n0.236204 0.613386 0.454307 O\n0.225532 0.475105 0.633951 O\n0.024828 0.814017 0.283873 O\n0.101520 0.755942 0.034605 O\n",
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"elements": [
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"density": 5.851362270213688,
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"volume": 1454.151445390352,
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"formula_full": "Sn34 O68",
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"updated_at": "2021-11-28T01:35:56.308000Z",
"spacegroup": 1
},
{
"id": "mp-1213559",
"created_at": "2022-09-04T14:42:45.930307Z",
"structure_string": "K16 Re24 Te8 C24 S24 N24\n1.0\n-8.867923 -8.867923 8.867923\n-8.867923 8.867923 -8.867923\n8.867923 -8.867923 -8.867923\nK Re Te C S N\n16 24 8 24 24 24\ndirect\n0.000000 0.000000 -0.000000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.500000 0.500000 K\n0.556825 0.306825 0.750000 K\n0.443175 0.693175 0.250000 K\n0.943175 0.193175 0.250000 K\n0.306825 0.750000 0.556825 K\n0.056825 0.806825 0.750000 K\n0.693175 0.250000 0.443175 K\n0.193175 0.250000 0.943175 K\n0.806825 0.750000 0.056825 K\n0.750000 0.556825 0.306825 K\n0.250000 0.443175 0.693175 K\n0.250000 0.943175 0.193175 K\n0.750000 0.056825 0.806825 K\n0.640610 0.539798 0.529880 Re\n0.359390 0.460202 0.470120 Re\n0.859390 0.889270 0.399188 Re\n0.490082 0.960202 0.100812 Re\n0.539798 0.529880 0.640610 Re\n0.140610 0.110730 0.600812 Re\n0.509918 0.039798 0.899188 Re\n0.460202 0.470120 0.359390 Re\n0.009918 0.610730 0.970120 Re\n0.889270 0.399188 0.859390 Re\n0.990082 0.389270 0.029880 Re\n0.110730 0.600812 0.140610 Re\n0.960202 0.100812 0.490082 Re\n0.039798 0.899188 0.509918 Re\n0.610730 0.970120 0.009918 Re\n0.389270 0.029880 0.990082 Re\n0.529880 0.640610 0.539798 Re\n0.470120 0.359390 0.460202 Re\n0.100812 0.490082 0.960202 Re\n0.899188 0.509918 0.039798 Re\n0.970120 0.009918 0.610730 Re\n0.029880 0.990082 0.389270 Re\n0.399188 0.859390 0.889270 Re\n0.600812 0.140610 0.110730 Re\n0.717255 0.717255 0.717255 Te\n0.282745 0.282745 0.282745 Te\n0.782745 -0.000000 0.500000 Te\n0.500000 0.782745 -0.000000 Te\n0.217255 0.000000 0.500000 Te\n0.500000 0.217255 -0.000000 Te\n0.000000 0.500000 0.782745 Te\n-0.000000 0.500000 0.217255 Te\n0.795238 0.576504 0.560955 C\n0.204762 0.423496 0.439045 C\n0.704762 0.765716 0.281266 C\n0.484450 0.923496 0.218734 C\n0.576504 0.560955 0.795238 C\n0.295239 0.234284 0.718734 C\n0.515550 0.076504 0.781266 C\n0.423496 0.439045 0.204762 C\n0.015550 0.734284 0.939045 C\n0.765716 0.281266 0.704762 C\n0.984450 0.265716 0.060955 C\n0.234284 0.718734 0.295239 C\n0.923496 0.218734 0.484450 C\n0.076504 0.781266 0.515550 C\n0.734284 0.939045 0.015550 C\n0.265716 0.060955 0.984450 C\n0.560955 0.795238 0.576504 C\n0.439045 0.204762 0.423496 C\n0.218734 0.484450 0.923496 C\n0.781266 0.515550 0.076504 C\n0.939045 0.015550 0.734284 C\n0.060955 0.984450 0.265716 C\n0.281266 0.704762 0.765716 C\n0.718734 0.295239 0.234284 C\n0.618955 0.637530 0.436041 S\n0.381045 0.362470 0.563959 S\n0.881045 0.817086 0.518575 S\n0.298511 0.862470 0.981425 S\n0.637530 0.436041 0.618955 S\n0.118955 0.182914 0.481425 S\n0.701489 0.137530 0.018575 S\n0.362470 0.563959 0.381045 S\n0.201489 0.682914 0.063959 S\n0.817086 0.518575 0.881045 S\n0.798511 0.317086 0.936041 S\n0.182914 0.481425 0.118955 S\n0.862470 0.981425 0.298511 S\n0.137530 0.018575 0.701489 S\n0.682914 0.063959 0.201489 S\n0.317086 0.936041 0.798511 S\n0.436041 0.618955 0.637530 S\n0.563959 0.381045 0.362470 S\n0.981425 0.298511 0.862470 S\n0.018575 0.701489 0.137530 S\n0.063959 0.201489 0.682914 S\n0.936041 0.798511 0.317086 S\n0.518575 0.881045 0.817086 S\n0.481425 0.118955 0.182914 S\n0.881967 0.594705 0.578342 N\n0.118033 0.405295 0.421658 N\n0.618033 0.696376 0.212738 N\n0.483638 0.905295 0.287262 N\n0.594705 0.578342 0.881967 N\n0.381967 0.303624 0.787262 N\n0.516362 0.094705 0.712738 N\n0.405295 0.421658 0.118033 N\n0.016362 0.803624 0.921658 N\n0.696376 0.212738 0.618033 N\n0.983638 0.196376 0.078342 N\n0.303624 0.787262 0.381967 N\n0.905295 0.287262 0.483638 N\n0.094705 0.712738 0.516362 N\n0.803624 0.921658 0.016362 N\n0.196376 0.078342 0.983638 N\n0.578342 0.881967 0.594705 N\n0.421658 0.118033 0.405295 N\n0.287262 0.483638 0.905295 N\n0.712738 0.516362 0.094705 N\n0.921658 0.016362 0.803624 N\n0.078342 0.983638 0.196376 N\n0.212738 0.618033 0.696376 N\n0.787262 0.381967 0.303624 N\n",
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"density_atomic": 0.043018524885411656,
"volume": 2789.495928083162,
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"formula_full": "K16 Re24 Te8 C24 S24 N24",
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"energy": -934.11975503,
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},
{
"id": "mp-773184",
"created_at": "2022-09-04T14:42:22.943462Z",
"structure_string": "Li4 Mn2 Sn2 O8\n1.0\n3.016693 -3.197976 -4.404655\n0.253334 6.274679 -0.006624\n3.008424 -3.205760 4.404657\nLi Mn Sn O\n4 2 2 8\ndirect\n0.499999 0.999999 0.999998 Li\n0.500000 0.500000 0.499999 Li\n0.999999 0.499999 0.499998 Li\n0.499999 0.999999 0.499998 Li\n0.000005 0.000006 0.500010 Mn\n0.999993 0.499998 0.000016 Mn\n0.500002 0.499997 0.999996 Sn\n0.000004 0.000002 0.000000 Sn\n0.230775 0.992726 0.232200 O\n0.739477 0.507273 0.238047 O\n0.260524 0.492728 0.761952 O\n0.769223 0.007273 0.767794 O\n0.742343 0.979458 0.230827 O\n0.751370 0.520541 0.762884 O\n0.248631 0.479460 0.237113 O\n0.257654 0.020540 0.769167 O\n",
"nsites": 16,
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"elements": [
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"volume": 173.66626625833933,
"volume_molar": 6.536516879195988,
"formula_full": "Li4 Mn2 Sn2 O8",
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"energy": -107.53361884,
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"updated_at": "2021-11-28T01:35:47.243000Z",
"spacegroup": 74
},
{
"id": "mp-1516671",
"created_at": "2022-09-04T14:42:59.540050Z",
"structure_string": "Ba4 Sm4 Eu4 Sb4 O24\n1.0\n8.519200 0.000000 0.000000\n0.000000 8.522160 0.000000\n0.000000 0.000000 8.507854\nBa Sm Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.252776 0.250647 0.250614 Sm\n0.747224 0.749353 0.250614 Sm\n0.747224 0.250647 0.749386 Sm\n0.252776 0.749353 0.749386 Sm\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n0.500000 0.000000 -0.000000 Eu\n0.746559 0.749001 0.749994 Sb\n0.253441 0.250999 0.749994 Sb\n0.253441 0.749001 0.250006 Sb\n0.746559 0.250999 0.250006 Sb\n0.982048 0.224421 0.272980 O\n0.017952 0.775579 0.272980 O\n0.017952 0.224421 0.727020 O\n0.982048 0.775579 0.727020 O\n0.285383 0.982764 0.216694 O\n0.285383 0.017236 0.783306 O\n0.714617 0.017236 0.216694 O\n0.714617 0.982764 0.783306 O\n0.227319 0.276312 0.984074 O\n0.772681 0.276312 0.015926 O\n0.227319 0.723688 0.015926 O\n0.772681 0.723688 0.984074 O\n0.516219 0.289757 0.216124 O\n0.483781 0.710243 0.216124 O\n0.483781 0.289757 0.783876 O\n0.516219 0.710243 0.783876 O\n0.219274 0.517532 0.289535 O\n0.219274 0.482468 0.710465 O\n0.780726 0.482468 0.289535 O\n0.780726 0.517532 0.710465 O\n0.289023 0.214892 0.518203 O\n0.710977 0.214892 0.481797 O\n0.289023 0.785108 0.481797 O\n0.710977 0.785108 0.518203 O\n",
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"formula_full": "Ba4 Sm4 Eu4 Sb4 O24",
"formula_reduced": "BaSmEuSbO6",
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{
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"updated_at": "2021-11-28T01:37:40.219000Z",
"spacegroup": 62
}
]
}