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{
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"results": [
{
"id": "mp-766500",
"created_at": "2022-09-04T14:47:24.783878Z",
"structure_string": "Li10 Mn6 B8 O24\n1.0\n9.175182 0.000000 0.000000\n0.000000 5.308933 0.000000\n0.000000 5.040083 9.787156\nLi Mn B O\n10 6 8 24\ndirect\n0.231254 0.502820 0.339043 Li\n0.918605 0.453813 0.373480 Li\n0.417269 0.541638 0.129244 Li\n0.733779 0.511409 0.149951 Li\n0.744527 0.065643 0.622192 Li\n0.768746 0.502820 0.839043 Li\n0.081395 0.453813 0.873480 Li\n0.255473 0.065643 0.122192 Li\n0.582731 0.541638 0.629244 Li\n0.266221 0.511409 0.649951 Li\n0.579281 0.978195 0.876546 Mn\n0.240827 0.934523 0.889655 Mn\n0.069468 0.025199 0.618277 Mn\n0.420719 0.978195 0.376546 Mn\n0.759173 0.934523 0.389655 Mn\n0.930532 0.025199 0.118277 Mn\n0.571041 0.455969 0.378864 B\n0.910232 0.963751 0.867562 B\n0.073286 0.544041 0.119520 B\n0.415416 0.031046 0.634867 B\n0.089768 0.963751 0.367562 B\n0.428959 0.455969 0.878864 B\n0.584584 0.031046 0.134867 B\n0.926714 0.544041 0.619520 B\n0.581184 0.832729 0.084246 O\n0.910172 0.320826 0.588516 O\n0.195973 0.709515 0.112111 O\n0.937535 0.607157 0.154178 O\n0.545211 0.122384 0.669197 O\n0.283434 0.131087 0.657224 O\n0.436631 0.385653 0.345310 O\n0.699964 0.322868 0.376288 O\n0.780862 0.843202 0.857984 O\n0.038004 0.863603 0.833482 O\n0.082640 0.177562 0.407231 O\n0.422230 0.675364 0.915030 O\n0.089828 0.320826 0.088516 O\n0.418816 0.832729 0.584246 O\n0.454789 0.122384 0.169197 O\n0.716566 0.131087 0.157224 O\n0.804027 0.709515 0.612111 O\n0.062465 0.607157 0.654178 O\n0.219138 0.843202 0.357984 O\n0.961996 0.863603 0.333482 O\n0.563369 0.385653 0.845310 O\n0.300036 0.322868 0.876288 O\n0.577770 0.675364 0.415030 O\n0.917360 0.177562 0.907231 O\n",
"nsites": 48,
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"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.028629649307043,
"density_atomic": 0.10068454098140041,
"volume": 476.7365429899224,
"volume_molar": 5.9811970152523,
"formula_full": "Li10 Mn6 B8 O24",
"formula_reduced": "Li5Mn3(BO3)4",
"formula_anonymous": "A3B4C5D12",
"energy": -366.40625776,
"energy_per_atom": -7.633463703333334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -339.91025776,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.105000Z",
"spacegroup": 7
},
{
"id": "mp-651682",
"created_at": "2022-09-04T14:47:23.637242Z",
"structure_string": "Cu6 B14 I2 O26\n1.0\n0.000000 6.069753 6.069753\n6.069753 0.000000 6.069753\n6.069753 6.069753 0.000000\nCu B I O\n6 14 2 26\ndirect\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.919510 0.919510 0.241470 B\n0.419510 0.419510 0.419510 B\n0.919510 0.919510 0.919510 B\n0.750000 0.250000 0.250000 B\n0.250000 0.750000 0.250000 B\n0.750000 0.750000 0.250000 B\n0.419510 0.419510 0.741470 B\n0.919510 0.241470 0.919510 B\n0.419510 0.741470 0.419510 B\n0.250000 0.750000 0.750000 B\n0.750000 0.250000 0.750000 B\n0.241470 0.919510 0.919510 B\n0.250000 0.250000 0.750000 B\n0.741470 0.419510 0.419510 B\n0.750000 0.750000 0.750000 I\n0.250000 0.250000 0.250000 I\n0.741297 0.295208 0.899116 O\n0.399116 0.241297 0.564379 O\n0.899116 0.295208 0.064379 O\n0.241297 0.564379 0.399116 O\n0.000000 0.000000 0.000000 O\n0.295208 0.064379 0.899116 O\n0.241297 0.795208 0.564379 O\n0.500000 0.500000 0.500000 O\n0.564379 0.795208 0.399116 O\n0.741297 0.064379 0.295208 O\n0.795208 0.241297 0.399116 O\n0.741297 0.899116 0.064379 O\n0.399116 0.795208 0.241297 O\n0.064379 0.295208 0.741297 O\n0.795208 0.564379 0.241297 O\n0.399116 0.564379 0.795208 O\n0.795208 0.399116 0.564379 O\n0.064379 0.899116 0.295208 O\n0.899116 0.741297 0.295208 O\n0.564379 0.399116 0.241297 O\n0.064379 0.741297 0.899116 O\n0.564379 0.241297 0.795208 O\n0.295208 0.741297 0.064379 O\n0.899116 0.064379 0.741297 O\n0.241297 0.399116 0.795208 O\n0.295208 0.899116 0.741297 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Cu",
"B",
"I",
"O"
],
"chemical_system": "B-Cu-I-O",
"density": 4.464403543344904,
"density_atomic": 0.10732433010858919,
"volume": 447.2424840801177,
"volume_molar": 5.611160818713601,
"formula_full": "Cu6 B14 I2 O26",
"formula_reduced": "Cu3B7IO13",
"formula_anonymous": "AB3C7D13",
"energy": -357.72509219,
"energy_per_atom": -7.452606087291667,
"energy_above_hull": null,
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"energy_uncorrected": -339.10509219,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:01.108000Z",
"spacegroup": 219
},
{
"id": "mp-1643648",
"created_at": "2022-09-04T14:47:24.716430Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.087079 0.020557 4.045197\n-4.652566 6.144750 0.728711\n-5.965629 -6.089174 5.053176\nLi Mn O\n14 10 24\ndirect\n0.328657 0.415117 0.079701 Li\n0.337907 0.918170 0.586892 Li\n0.179439 0.700332 0.050627 Li\n0.170620 0.194838 0.543562 Li\n0.486918 0.633337 0.615578 Li\n0.496351 0.138250 0.123480 Li\n0.848105 0.054748 0.719885 Li\n0.843678 0.547875 0.219581 Li\n0.823239 0.785550 0.446729 Li\n0.818489 0.278713 0.947097 Li\n0.172931 0.469368 0.798154 Li\n0.152276 0.947505 0.287123 Li\n0.514732 0.385685 0.379554 Li\n0.492940 0.863904 0.868125 Li\n0.333238 0.666777 0.333394 Mn\n0.333342 0.166591 0.833344 Mn\n0.005743 0.003700 0.005258 Mn\n0.011760 0.510315 0.506915 Mn\n0.654576 0.822919 0.159702 Mn\n0.660798 0.329513 0.661451 Mn\n0.003262 0.252337 0.250593 Mn\n0.010791 0.754839 0.750645 Mn\n0.663877 0.081197 0.416099 Mn\n0.655741 0.578301 0.915957 Mn\n0.749600 0.295788 0.310030 O\n0.784729 0.820440 0.833368 O\n0.917098 0.037505 0.356441 O\n0.882080 0.512825 0.833438 O\n0.087880 0.210954 0.898995 O\n0.090700 0.717112 0.397178 O\n0.575985 0.616434 0.269683 O\n0.578771 0.122158 0.767607 O\n0.423979 0.638753 0.973318 O\n0.455552 0.165508 0.495223 O\n0.242821 0.694648 0.693400 O\n0.211357 0.167861 0.171670 O\n0.756458 0.046044 0.059512 O\n0.754382 0.551921 0.564303 O\n0.910237 0.287258 0.607173 O\n0.912167 0.781399 0.102435 O\n0.104606 0.489489 0.172385 O\n0.107079 0.991609 0.673755 O\n0.562420 0.844074 0.494211 O\n0.559464 0.341527 0.992974 O\n0.413271 0.875788 0.227747 O\n0.414079 0.373652 0.723687 O\n0.253302 0.457936 0.438972 O\n0.252573 0.959430 0.943055 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.855816841996775,
"density_atomic": 0.10815426777588788,
"volume": 443.81050315520895,
"volume_molar": 5.5681027515981105,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.84255405,
"energy_per_atom": -7.0800532093749995,
"energy_above_hull": null,
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"energy_uncorrected": -306.67455405,
"band_gap": 0.8451,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.922000Z",
"spacegroup": 2
},
{
"id": "mp-1046421",
"created_at": "2022-09-04T14:47:25.072864Z",
"structure_string": "Sr4 V4 P8 O32\n1.0\n-4.237184 -6.519202 3.438259\n5.661822 -0.184300 7.751755\n-1.913838 6.617521 6.640405\nSr V P O\n4 4 8 32\ndirect\n0.513508 0.764524 0.285473 Sr\n0.013511 0.264559 0.785552 Sr\n0.986489 0.735442 0.214446 Sr\n0.486493 0.235475 0.714528 Sr\n0.014676 0.719217 0.824258 V\n0.985306 0.280824 0.175721 V\n0.514676 0.219211 0.324429 V\n0.485327 0.780787 0.675576 V\n0.703468 0.100795 0.119815 P\n0.203482 0.600830 0.619743 P\n0.796520 0.399171 0.380255 P\n0.296531 0.899205 0.880186 P\n0.714590 0.560914 0.737181 P\n0.214618 0.060776 0.237265 P\n0.785386 0.939220 0.762738 P\n0.285406 0.439084 0.262818 P\n0.736753 0.570797 0.318827 O\n0.236786 0.070819 0.818794 O\n0.763215 0.929181 0.181208 O\n0.263247 0.429205 0.681174 O\n0.556472 0.162782 0.992332 O\n0.056500 0.662765 0.492227 O\n0.943501 0.337239 0.507775 O\n0.443530 0.837218 0.007668 O\n0.653647 0.295948 0.437871 O\n0.153638 0.795984 0.937802 O\n0.846356 0.204012 0.062195 O\n0.346354 0.704052 0.562130 O\n0.837513 0.783683 0.917300 O\n0.337542 0.283588 0.417427 O\n0.662458 0.716409 0.582576 O\n0.162488 0.216315 0.082701 O\n0.410199 0.408296 0.165026 O\n0.910183 0.908512 0.664921 O\n0.089821 0.091474 0.335083 O\n0.589798 0.591700 0.834974 O\n0.798299 0.084404 0.784939 O\n0.298323 0.584341 0.284881 O\n0.701677 0.415658 0.715117 O\n0.201706 0.915593 0.215057 O\n0.672872 0.125227 0.268132 O\n0.172809 0.625293 0.768023 O\n0.827195 0.374704 0.231985 O\n0.327130 0.874774 0.731868 O\n0.389017 0.051719 0.325721 O\n0.888995 0.551882 0.825595 O\n0.111004 0.448111 0.174408 O\n0.610983 0.948280 0.674277 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"V",
"P",
"O"
],
"chemical_system": "O-P-Sr-V",
"density": 3.153287421069567,
"density_atomic": 0.06936729329719925,
"volume": 691.9687610463249,
"volume_molar": 8.681527667799527,
"formula_full": "Sr4 V4 P8 O32",
"formula_reduced": "SrV(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -380.06352229,
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"updated_at": "2021-11-28T01:38:08.979000Z",
"spacegroup": 2
},
{
"id": "mp-1200685",
"created_at": "2022-09-04T14:47:19.975021Z",
"structure_string": "Si16 O32\n1.0\n5.158774 -6.367331 0.000000\n5.158774 6.367331 0.000000\n0.000000 0.000000 14.168736\nSi O\n16 32\ndirect\n0.186758 0.588633 0.317287 Si\n0.588633 0.186758 0.682713 Si\n0.813242 0.411367 0.317287 Si\n0.411367 0.813242 0.682713 Si\n0.313253 0.909299 0.184589 Si\n0.909299 0.313253 0.815411 Si\n0.686747 0.090701 0.184589 Si\n0.090701 0.686747 0.815411 Si\n0.337441 0.662559 0.500000 Si\n0.662559 0.337441 0.500000 Si\n0.500000 0.500000 0.364450 Si\n0.500000 0.500000 0.635550 Si\n0.000000 0.000000 0.138911 Si\n0.000000 0.000000 0.861089 Si\n0.160705 0.839295 0.000000 Si\n0.839295 0.160705 0.000000 Si\n0.000000 0.500000 0.284338 O\n0.500000 0.000000 0.715662 O\n0.253040 0.747976 0.250496 O\n0.747976 0.253040 0.749504 O\n0.746960 0.252024 0.250496 O\n0.252024 0.746960 0.749504 O\n0.177032 0.642622 0.429388 O\n0.642622 0.177032 0.570612 O\n0.822968 0.357378 0.429388 O\n0.357378 0.822968 0.570612 O\n0.323491 0.467062 0.305723 O\n0.467062 0.323491 0.694277 O\n0.676509 0.532938 0.305723 O\n0.532938 0.676509 0.694277 O\n0.320402 0.858627 0.071566 O\n0.858627 0.320402 0.928434 O\n0.679598 0.141373 0.071566 O\n0.141373 0.679598 0.928434 O\n0.174657 0.028319 0.199266 O\n0.028319 0.174657 0.800734 O\n0.825343 0.971681 0.199266 O\n0.971681 0.825343 0.800734 O\n0.499293 0.667726 0.429461 O\n0.667726 0.499293 0.570539 O\n0.500707 0.332274 0.429461 O\n0.332274 0.500707 0.570539 O\n0.500000 0.000000 0.216758 O\n0.000000 0.500000 0.783242 O\n0.999530 0.165643 0.071972 O\n0.165643 0.999530 0.928028 O\n0.000470 0.834357 0.071972 O\n0.834357 0.000470 0.928028 O\n",
"nsites": 48,
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"elements": [
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"O"
],
"chemical_system": "O-Si",
"density": 1.7150036662030719,
"density_atomic": 0.05156751506812971,
"volume": 930.8185577021425,
"volume_molar": 11.678167451046843,
"formula_full": "Si16 O32",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -397.11816855,
"energy_per_atom": -8.273295178125,
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"updated_at": "2021-11-28T01:38:06.497000Z",
"spacegroup": 21
},
{
"id": "mp-1177334",
"created_at": "2022-09-04T14:47:24.871287Z",
"structure_string": "Li8 Mn2 Fe6 B8 O24\n1.0\n5.220565 0.000000 0.000000\n0.079871 5.997988 0.000000\n0.304350 2.302478 15.953347\nLi Mn Fe B O\n8 2 6 8 24\ndirect\n0.850347 0.063968 0.389631 Li\n0.152188 0.437007 0.109774 Li\n0.652218 0.186721 0.860336 Li\n0.349644 0.312741 0.640033 Li\n0.650903 0.687474 0.358210 Li\n0.349523 0.812382 0.141246 Li\n0.847218 0.561174 0.892579 Li\n0.151032 0.935335 0.608674 Li\n0.166095 0.025525 0.790024 Mn\n0.667426 0.775995 0.540427 Mn\n0.660750 0.276833 0.041458 Fe\n0.326891 0.223800 0.461073 Fe\n0.160825 0.524940 0.291112 Fe\n0.838714 0.472805 0.710438 Fe\n0.840412 0.975176 0.208795 Fe\n0.326699 0.724078 0.959985 Fe\n0.330691 0.038955 0.297139 B\n0.827474 0.286538 0.547157 B\n0.670806 0.461224 0.202346 B\n0.170374 0.212051 0.953011 B\n0.829002 0.786767 0.048051 B\n0.331840 0.537080 0.797633 B\n0.169632 0.714508 0.450796 B\n0.670204 0.964000 0.702348 B\n0.590696 0.014083 0.308868 O\n0.183970 0.172424 0.345063 O\n0.708347 0.169347 0.490420 O\n0.292319 0.329265 0.009748 O\n0.783584 0.085442 0.759026 O\n0.819546 0.329049 0.153997 O\n0.321165 0.079073 0.905766 O\n0.090181 0.266809 0.558844 O\n0.410685 0.485243 0.190786 O\n0.910763 0.234997 0.940545 O\n0.681210 0.417816 0.596071 O\n0.209622 0.422881 0.740002 O\n0.793025 0.576465 0.259507 O\n0.320559 0.579501 0.404321 O\n0.091926 0.765746 0.059716 O\n0.591341 0.515078 0.809355 O\n0.909353 0.734555 0.437559 O\n0.682728 0.921061 0.096165 O\n0.183737 0.668351 0.846412 O\n0.207899 0.922651 0.240206 O\n0.707170 0.667558 0.992613 O\n0.285640 0.833203 0.507952 O\n0.823453 0.828043 0.657193 O\n0.410170 0.984284 0.687591 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"Fe",
"B",
"O"
],
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"density": 3.227528000790271,
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"volume": 499.54533949054814,
"volume_molar": 6.267359063362641,
"formula_full": "Li8 Mn2 Fe6 B8 O24",
"formula_reduced": "Li4MnFe3(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy": -370.77913074,
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"updated_at": "2021-11-28T01:38:07.900000Z",
"spacegroup": 1
},
{
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