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HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

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            "nsites": 144,
            "nelements": 4,
            "elements": [
                "Li",
                "Mo",
                "P",
                "O"
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            "chemical_system": "Li-Mo-O-P",
            "density": 2.9919482760540115,
            "density_atomic": 0.07383800776167934,
            "volume": 1950.2151312746216,
            "volume_molar": 8.155881967234478,
            "formula_full": "Li12 Mo12 P24 O96",
            "formula_reduced": "LiMo(PO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -1119.14339901,
            "energy_per_atom": -7.771829159791666,
            "energy_above_hull": null,
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            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1014.76739901,
            "band_gap": 2.986,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.5873757,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:27.709000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1210004",
            "created_at": "2022-09-04T14:42:53.607401Z",
            "structure_string": "Rb32 Zn8 Mo24 O96\n1.0\n-11.141632 0.000000 0.000000\n0.000000 0.000000 -12.793044\n0.000000 -22.740374 0.000000\nRb Zn Mo O\n32 8 24 96\ndirect\n0.918561 0.627106 0.971802 Rb\n0.081439 0.372894 0.028198 Rb\n0.581439 0.127106 0.028198 Rb\n0.081439 0.872894 0.471802 Rb\n0.418561 0.872894 0.971802 Rb\n0.918561 0.127106 0.528198 Rb\n0.418561 0.372894 0.528198 Rb\n0.581439 0.627106 0.471802 Rb\n0.570026 0.605455 0.660439 Rb\n0.429974 0.394545 0.339561 Rb\n0.929974 0.105455 0.339561 Rb\n0.429974 0.894545 0.160439 Rb\n0.070027 0.894545 0.660439 Rb\n0.570026 0.105455 0.839561 Rb\n0.070027 0.394545 0.839561 Rb\n0.929974 0.605455 0.160439 Rb\n0.598856 0.624381 0.842747 Rb\n0.401144 0.375619 0.157253 Rb\n0.901144 0.124381 0.157253 Rb\n0.401144 0.875619 0.342747 Rb\n0.098856 0.875619 0.842747 Rb\n0.598856 0.124381 0.657253 Rb\n0.098856 0.375619 0.657253 Rb\n0.901144 0.624381 0.342747 Rb\n0.915576 0.624275 0.531389 Rb\n0.084424 0.375725 0.468611 Rb\n0.584424 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            "elements": [
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            "chemical_system": "Mo-O-Rb-Zn",
            "density": 3.635699078873403,
            "density_atomic": 0.04936278749025032,
            "volume": 3241.308040628818,
            "volume_molar": 12.19975829199159,
            "formula_full": "Rb32 Zn8 Mo24 O96",
            "formula_reduced": "Rb4Zn(MoO4)3",
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            "energy": -1118.79999175,
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            "energy_uncorrected": -975.99999175,
            "band_gap": 4.0763,
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            "updated_at": "2021-11-28T01:35:52.863000Z",
            "spacegroup": 61
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        {
            "id": "mp-773117",
            "created_at": "2022-09-04T14:44:50.830766Z",
            "structure_string": "La24 Si16 B8 O80\n1.0\n7.306417 0.000000 0.000000\n0.000000 10.014011 0.000000\n0.000000 0.000000 23.530538\nLa Si B O\n24 16 8 80\ndirect\n0.639805 0.990717 0.428123 La\n0.860195 0.990717 0.928123 La\n0.173659 0.865975 0.337178 La\n0.326341 0.865975 0.837178 La\n0.593262 0.766901 0.682711 La\n0.906738 0.766901 0.182711 La\n0.093262 0.733099 0.682711 La\n0.406738 0.733099 0.182711 La\n0.673659 0.634025 0.337178 La\n0.826341 0.634025 0.837178 La\n0.360195 0.509283 0.928123 La\n0.139805 0.509283 0.428123 La\n0.639805 0.490717 0.071877 La\n0.860195 0.490717 0.571877 La\n0.173659 0.365975 0.162822 La\n0.326341 0.365975 0.662822 La\n0.593262 0.266901 0.817289 La\n0.906738 0.266901 0.317289 La\n0.093262 0.233099 0.817289 La\n0.406738 0.233099 0.317289 La\n0.673659 0.134025 0.162822 La\n0.826341 0.134025 0.662822 La\n0.360195 0.009283 0.571877 La\n0.139805 0.009283 0.071877 La\n0.683423 0.938716 0.279330 Si\n0.816577 0.938716 0.779330 Si\n0.644841 0.875109 0.078497 Si\n0.855159 0.875109 0.578497 Si\n0.144841 0.624891 0.078497 Si\n0.355159 0.624891 0.578497 Si\n0.183423 0.561284 0.279330 Si\n0.316577 0.561284 0.779330 Si\n0.683423 0.438716 0.220670 Si\n0.816577 0.438716 0.720670 Si\n0.855159 0.375109 0.921503 Si\n0.644841 0.375109 0.421503 Si\n0.144841 0.124891 0.421503 Si\n0.355159 0.124891 0.921503 Si\n0.183423 0.061284 0.220670 Si\n0.316577 0.061284 0.720670 Si\n0.154772 0.755934 0.972344 B\n0.345228 0.755934 0.472344 B\n0.845228 0.744066 0.472344 B\n0.654772 0.744066 0.972344 B\n0.345228 0.255934 0.027656 B\n0.154772 0.255934 0.527656 B\n0.845228 0.244066 0.027656 B\n0.654772 0.244066 0.527656 B\n0.466314 0.959782 0.099265 O\n0.033686 0.959782 0.599265 O\n0.824757 0.950502 0.105418 O\n0.675243 0.950502 0.605418 O\n0.631358 0.902218 0.212507 O\n0.868642 0.902218 0.712507 O\n0.202643 0.897031 0.221257 O\n0.297357 0.897031 0.721257 O\n0.534340 0.892077 0.327252 O\n0.965660 0.892077 0.827252 O\n0.422412 0.870635 0.491295 O\n0.077588 0.870635 0.991295 O\n0.663524 0.859382 0.008244 O\n0.836476 0.859382 0.508244 O\n0.868378 0.847915 0.290077 O\n0.631622 0.847915 0.790077 O\n0.147371 0.773184 0.109654 O\n0.352629 0.773184 0.609654 O\n0.771291 0.761657 0.419226 O\n0.728709 0.761657 0.919226 O\n0.271291 0.738343 0.419226 O\n0.228709 0.738343 0.919226 O\n0.647371 0.726816 0.109654 O\n0.852629 0.726816 0.609654 O\n0.368378 0.652085 0.290077 O\n0.131622 0.652085 0.790077 O\n0.163524 0.640618 0.008244 O\n0.336476 0.640618 0.508244 O\n0.922412 0.629365 0.491295 O\n0.577588 0.629365 0.991295 O\n0.034340 0.607923 0.327252 O\n0.465660 0.607923 0.827252 O\n0.702643 0.602969 0.221257 O\n0.797357 0.602969 0.721257 O\n0.131358 0.597782 0.212507 O\n0.368642 0.597782 0.712507 O\n0.324757 0.549498 0.105418 O\n0.175243 0.549498 0.605418 O\n0.966314 0.540218 0.099265 O\n0.533686 0.540218 0.599265 O\n0.466314 0.459782 0.400735 O\n0.033686 0.459782 0.900735 O\n0.824757 0.450502 0.394582 O\n0.675243 0.450502 0.894582 O\n0.631358 0.402218 0.287493 O\n0.868642 0.402218 0.787493 O\n0.202643 0.397031 0.278743 O\n0.297357 0.397031 0.778743 O\n0.534340 0.392077 0.172748 O\n0.965660 0.392077 0.672748 O\n0.422412 0.370635 0.008705 O\n0.077588 0.370635 0.508705 O\n0.663524 0.359382 0.491756 O\n0.836476 0.359382 0.991756 O\n0.868378 0.347915 0.209923 O\n0.631622 0.347915 0.709923 O\n0.352629 0.273184 0.890346 O\n0.147371 0.273184 0.390346 O\n0.771291 0.261657 0.080774 O\n0.728709 0.261657 0.580774 O\n0.271291 0.238343 0.080774 O\n0.228709 0.238343 0.580774 O\n0.852629 0.226816 0.890346 O\n0.647371 0.226816 0.390346 O\n0.368378 0.152085 0.209923 O\n0.131622 0.152085 0.709923 O\n0.163524 0.140618 0.491756 O\n0.336476 0.140618 0.991756 O\n0.922412 0.129365 0.008705 O\n0.577588 0.129365 0.508705 O\n0.034340 0.107923 0.172748 O\n0.465660 0.107923 0.672748 O\n0.702643 0.102969 0.278743 O\n0.797357 0.102969 0.778743 O\n0.131358 0.097782 0.287493 O\n0.368642 0.097782 0.787493 O\n0.324757 0.049498 0.394582 O\n0.175243 0.049498 0.894582 O\n0.966314 0.040218 0.400735 O\n0.533686 0.040218 0.900735 O\n",
            "nsites": 128,
            "nelements": 4,
            "elements": [
                "La",
                "Si",
                "B",
                "O"
            ],
            "chemical_system": "B-La-O-Si",
            "density": 4.9667591039029535,
            "density_atomic": 0.07434736713468842,
            "volume": 1721.6480547066842,
            "volume_molar": 8.10000540986237,
            "formula_full": "La24 Si16 B8 O80",
            "formula_reduced": "La3Si2BO10",
            "formula_anonymous": "AB2C3D10",
            "energy": -1118.74094202,
            "energy_per_atom": -8.74016360953125,
            "energy_above_hull": null,
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            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1063.78094202,
            "band_gap": 4.3318,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005444,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:40.916000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1247650",
            "created_at": "2022-09-04T14:44:07.404053Z",
            "structure_string": "Sr4 Ca28 Mn28 Cr4 O80\n1.0\n11.029509 -0.029262 -0.158701\n-0.036767 15.442119 -0.003709\n-0.155288 0.002020 11.158396\nSr Ca Mn Cr O\n4 28 28 4 80\ndirect\n0.000769 0.111922 0.509895 Sr\n0.512662 0.376680 0.992779 Sr\n0.240916 0.389194 0.262999 Sr\n0.229814 0.121280 0.249279 Sr\n0.996643 0.111879 0.008325 Ca\n0.004958 0.612876 0.507183 Ca\n0.998466 0.612418 0.011302 Ca\n0.542900 0.129239 0.481236 Ca\n0.548450 0.127879 0.983138 Ca\n0.542800 0.629766 0.481767 Ca\n0.543451 0.628654 0.982560 Ca\n0.516261 0.372774 0.491632 Ca\n0.520132 0.872793 0.988011 Ca\n0.519425 0.874727 0.489302 Ca\n0.961742 0.385808 0.005598 Ca\n0.957767 0.387216 0.506298 Ca\n0.957542 0.879925 0.008085 Ca\n0.958938 0.882549 0.503304 Ca\n0.234193 0.396427 0.757214 Ca\n0.231778 0.890776 0.271482 Ca\n0.232595 0.891312 0.769867 Ca\n0.758416 0.381963 0.257167 Ca\n0.756918 0.372571 0.756763 Ca\n0.758495 0.872996 0.258759 Ca\n0.753806 0.873842 0.755388 Ca\n0.224684 0.115075 0.744718 Ca\n0.227383 0.619631 0.243310 Ca\n0.224521 0.621720 0.748337 Ca\n0.775741 0.116532 0.251085 Ca\n0.782232 0.121817 0.754454 Ca\n0.781386 0.624375 0.251882 Ca\n0.781536 0.622354 0.754713 Ca\n0.995106 0.993462 0.758964 Mn\n0.995456 0.498376 0.257169 Mn\n0.994121 0.497152 0.754450 Mn\n0.504551 0.987411 0.231578 Mn\n0.505711 0.989573 0.736848 Mn\n0.507748 0.496957 0.238219 Mn\n0.502553 0.492198 0.733895 Mn\n0.245509 0.996478 0.522296 Mn\n0.240533 0.503768 0.017418 Mn\n0.246063 0.504784 0.521430 Mn\n0.746483 0.000887 0.997477 Mn\n0.743755 0.001828 0.499422 Mn\n0.746972 0.503333 0.997983 Mn\n0.742831 0.503498 0.498940 Mn\n0.270561 0.247354 0.473061 Mn\n0.271922 0.744898 0.959834 Mn\n0.275024 0.742665 0.459209 Mn\n0.759516 0.248390 0.004575 Mn\n0.752167 0.248895 0.504650 Mn\n0.756569 0.746656 0.000791 Mn\n0.756392 0.746554 0.503438 Mn\n0.997804 0.254112 0.764838 Mn\n0.996345 0.752336 0.261963 Mn\n0.994855 0.752740 0.760049 Mn\n0.517660 0.251527 0.252763 Mn\n0.507312 0.248089 0.752404 Mn\n0.512815 0.746754 0.249336 Mn\n0.512068 0.746150 0.749386 Mn\n0.994842 0.996503 0.254630 Cr\n0.238412 0.995987 0.019007 Cr\n0.266709 0.241096 0.946561 Cr\n0.985505 0.253326 0.271796 Cr\n0.594283 0.251424 0.097694 O\n0.582765 0.254376 0.597146 O\n0.587583 0.754406 0.091062 O\n0.585703 0.755224 0.592380 O\n0.401038 0.199584 0.358046 O\n0.394746 0.181999 0.859961 O\n0.399960 0.679157 0.348021 O\n0.399996 0.683718 0.851411 O\n0.905580 0.237596 0.406615 O\n0.910399 0.236793 0.921006 O\n0.905800 0.733841 0.418723 O\n0.907272 0.733647 0.917864 O\n0.146217 0.252937 0.326156 O\n0.175095 0.255544 0.799766 O\n0.164659 0.751870 0.308819 O\n0.162283 0.754088 0.807744 O\n0.660230 0.226069 0.355135 O\n0.658627 0.229657 0.856147 O\n0.659851 0.727206 0.355932 O\n0.659510 0.725330 0.853479 O\n0.865277 0.276523 0.151034 O\n0.864082 0.272437 0.646748 O\n0.856292 0.771001 0.149875 O\n0.856280 0.773370 0.649597 O\n0.356846 0.512127 0.154044 O\n0.346898 0.513627 0.669225 O\n0.350314 0.006093 0.161229 O\n0.346474 0.003571 0.670480 O\n0.851919 0.484942 0.138039 O\n0.845332 0.481150 0.640608 O\n0.849845 0.978860 0.141736 O\n0.856473 0.983043 0.647891 O\n0.148213 0.005542 0.373198 O\n0.148562 0.008793 0.867045 O\n0.157268 0.512756 0.373044 O\n0.153842 0.508879 0.868765 O\n0.622572 0.025902 0.344330 O\n0.632908 0.024716 0.848903 O\n0.634422 0.527735 0.349437 O\n0.626625 0.522162 0.848757 O\n0.879508 0.012115 0.389515 O\n0.886582 0.014751 0.894851 O\n0.885273 0.518559 0.394099 O\n0.886719 0.518101 0.890610 O\n0.098010 0.475495 0.122462 O\n0.096564 0.473525 0.621208 O\n0.102699 0.970130 0.115807 O\n0.098977 0.970136 0.625767 O\n0.602320 0.500207 0.093801 O\n0.588475 0.496828 0.584731 O\n0.595020 0.995688 0.085130 O\n0.592590 0.996828 0.587717 O\n0.987734 0.378635 0.300526 O\n0.995634 0.375558 0.798483 O\n0.994965 0.873178 0.296349 O\n0.991358 0.874650 0.801084 O\n0.481723 0.376945 0.281136 O\n0.463455 0.373756 0.775924 O\n0.475415 0.871960 0.284638 O\n0.481800 0.870866 0.782412 O\n0.994958 0.128021 0.221529 O\n0.003172 0.127592 0.732640 O\n0.000469 0.627566 0.222070 O\n0.999507 0.628021 0.718330 O\n0.216482 0.138887 0.027562 O\n0.233000 0.128962 0.538029 O\n0.215714 0.633722 0.035565 O\n0.220279 0.633847 0.541229 O\n0.757618 0.125156 0.037918 O\n0.753105 0.124806 0.540717 O\n0.753523 0.625529 0.038872 O\n0.749504 0.625687 0.544575 O\n0.299493 0.377489 0.499786 O\n0.280541 0.360461 0.998065 O\n0.299585 0.875529 0.486352 O\n0.299499 0.877229 0.982436 O\n0.738119 0.378386 0.466312 O\n0.745637 0.377569 0.966718 O\n0.740865 0.874196 0.468603 O\n0.741824 0.872493 0.964614 O\n",
            "nsites": 144,
            "nelements": 5,
            "elements": [
                "Sr",
                "Ca",
                "Mn",
                "Cr",
                "O"
            ],
            "chemical_system": "Ca-Cr-Mn-O-Sr",
            "density": 3.931669268400707,
            "density_atomic": 0.07578571417162719,
            "volume": 1900.094253567264,
            "volume_molar": 7.946274341839719,
            "formula_full": "Sr4 Ca28 Mn28 Cr4 O80",
            "formula_reduced": "SrCa7Mn7CrO20",
            "formula_anonymous": "ABC7D7E20",
            "energy": -1118.41883451,
            "energy_per_atom": -7.766797461874999,
            "energy_above_hull": null,
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            "decomposes_to": null,
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            "energy_uncorrected": -1008.75883451,
            "band_gap": 0.1989,
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            "is_magnetic": true,
            "total_magnetization": 123.9999051,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:36.386000Z",
            "spacegroup": 1
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        {
            "id": "mp-1076184",
            "created_at": "2022-09-04T14:48:10.921945Z",
            "structure_string": "Sr8 Ca24 Mn32 O80\n1.0\n0.000083 0.007176 10.997017\n11.188158 0.004319 0.000030\n-5.588234 15.396756 -5.488585\nSr Ca Mn O\n8 24 32 80\ndirect\n0.308161 0.561030 0.609941 Sr\n0.806386 0.059532 0.609800 Sr\n0.198318 0.440984 0.892382 Sr\n0.057087 0.298606 0.608697 Sr\n0.057782 0.800396 0.610010 Sr\n0.557909 0.299340 0.610108 Sr\n0.448237 0.200318 0.890535 Sr\n0.946214 0.199687 0.387370 Sr\n0.305744 0.063361 0.106975 Ca\n0.306102 0.060341 0.604347 Ca\n0.306216 0.564151 0.108431 Ca\n0.805159 0.062506 0.105205 Ca\n0.806164 0.563416 0.107098 Ca\n0.805331 0.562664 0.606091 Ca\n0.199441 0.436740 0.392279 Ca\n0.199427 0.935527 0.392379 Ca\n0.199649 0.938210 0.895693 Ca\n0.698119 0.437260 0.392803 Ca\n0.701124 0.438088 0.895566 Ca\n0.698276 0.935570 0.391998 Ca\n0.700215 0.936923 0.894030 Ca\n0.056279 0.293726 0.107490 Ca\n0.055894 0.793479 0.106965 Ca\n0.556648 0.293883 0.108087 Ca\n0.556425 0.793736 0.107174 Ca\n0.556531 0.794189 0.606258 Ca\n0.448929 0.206105 0.391720 Ca\n0.449087 0.706241 0.392654 Ca\n0.451098 0.707313 0.895323 Ca\n0.950152 0.206866 0.895285 Ca\n0.948594 0.705019 0.391717 Ca\n0.948860 0.707639 0.894387 Ca\n0.006081 0.000224 0.000448 Mn\n0.004661 0.997922 0.497840 Mn\n0.005768 0.501140 0.001875 Mn\n0.003174 0.500200 0.497363 Mn\n0.506831 0.000037 0.001583 Mn\n0.503806 0.998355 0.497748 Mn\n0.507617 0.501806 0.002290 Mn\n0.504933 0.500138 0.498007 Mn\n0.256047 0.250697 0.002472 Mn\n0.254530 0.247658 0.496965 Mn\n0.256289 0.752000 0.001656 Mn\n0.255179 0.749687 0.497589 Mn\n0.756695 0.250588 0.000843 Mn\n0.752864 0.249919 0.497851 Mn\n0.756208 0.750336 0.000327 Mn\n0.753309 0.747753 0.497314 Mn\n0.111442 0.094445 0.247417 Mn\n0.112092 0.095213 0.753266 Mn\n0.110057 0.596232 0.249794 Mn\n0.109171 0.600457 0.751153 Mn\n0.607508 0.095685 0.249175 Mn\n0.610929 0.094128 0.749516 Mn\n0.609348 0.596028 0.249475 Mn\n0.614987 0.601695 0.752973 Mn\n0.359168 0.403638 0.249980 Mn\n0.366126 0.404798 0.751955 Mn\n0.359065 0.903056 0.249896 Mn\n0.364043 0.903242 0.750477 Mn\n0.858583 0.405839 0.248731 Mn\n0.859819 0.406867 0.752608 Mn\n0.858763 0.899833 0.247441 Mn\n0.859410 0.900885 0.752142 Mn\n0.127238 0.116583 0.489252 O\n0.123266 0.119861 0.988992 O\n0.122395 0.620936 0.485552 O\n0.122547 0.625499 0.991630 O\n0.619850 0.118509 0.484763 O\n0.628013 0.119045 0.991365 O\n0.623345 0.619769 0.487584 O\n0.625459 0.621475 0.988945 O\n0.134376 0.379658 0.014516 O\n0.132671 0.377882 0.505373 O\n0.136060 0.881121 0.012472 O\n0.136085 0.879612 0.507218 O\n0.638246 0.382081 0.014002 O\n0.634793 0.382049 0.508235 O\n0.635653 0.879186 0.012310 O\n0.629982 0.874084 0.507439 O\n0.371533 0.114586 0.485768 O\n0.373445 0.116520 0.992403 O\n0.375012 0.619545 0.486678 O\n0.378386 0.623728 0.992375 O\n0.870649 0.115377 0.488130 O\n0.874556 0.117919 0.988195 O\n0.870520 0.616867 0.486464 O\n0.873478 0.618034 0.988412 O\n0.387208 0.384410 0.015726 O\n0.382857 0.378719 0.505111 O\n0.386129 0.882284 0.012299 O\n0.384939 0.880769 0.510202 O\n0.885629 0.382355 0.012654 O\n0.879306 0.384611 0.508298 O\n0.886092 0.882264 0.012393 O\n0.881630 0.876879 0.504645 O\n0.079845 0.093875 0.131036 O\n0.078647 0.082756 0.634770 O\n0.078301 0.594625 0.132466 O\n0.073542 0.586333 0.632746 O\n0.579128 0.093439 0.132912 O\n0.575503 0.085605 0.631009 O\n0.580167 0.595219 0.133271 O\n0.578168 0.591539 0.632819 O\n0.445571 0.406766 0.365541 O\n0.447847 0.412450 0.869434 O\n0.444367 0.904847 0.365440 O\n0.449166 0.908126 0.867855 O\n0.943919 0.413209 0.364238 O\n0.943968 0.405762 0.868103 O\n0.945346 0.907311 0.364215 O\n0.946546 0.904570 0.868944 O\n0.328767 0.289089 0.134570 O\n0.326390 0.291399 0.633350 O\n0.329139 0.790397 0.134381 O\n0.327033 0.795025 0.632245 O\n0.829921 0.289607 0.134071 O\n0.823367 0.297999 0.634515 O\n0.827479 0.786531 0.131754 O\n0.823759 0.791478 0.632707 O\n0.193821 0.208720 0.364483 O\n0.193748 0.206993 0.868778 O\n0.196709 0.711304 0.366809 O\n0.195481 0.710919 0.867633 O\n0.690076 0.210658 0.365226 O\n0.694955 0.210700 0.866961 O\n0.693951 0.709343 0.365594 O\n0.699080 0.715467 0.869653 O\n0.425143 0.071686 0.249329 O\n0.426740 0.065785 0.743303 O\n0.426577 0.572110 0.249817 O\n0.437170 0.573258 0.757431 O\n0.926738 0.061773 0.241317 O\n0.934258 0.070766 0.757468 O\n0.925087 0.572664 0.249116 O\n0.928209 0.574748 0.751549 O\n0.177071 0.425998 0.249642 O\n0.185620 0.439620 0.750591 O\n0.178027 0.925374 0.249432 O\n0.186516 0.934042 0.758611 O\n0.676509 0.425910 0.249458 O\n0.684610 0.435422 0.758200 O\n0.677429 0.927409 0.250068 O\n0.677183 0.925804 0.750773 O\n",
            "nsites": 144,
            "nelements": 4,
            "elements": [
                "Sr",
                "Ca",
                "Mn",
                "O"
            ],
            "chemical_system": "Ca-Mn-O-Sr",
            "density": 4.119044160731038,
            "density_atomic": 0.07598676149839012,
            "volume": 1895.066945352722,
            "volume_molar": 7.925249926762027,
            "formula_full": "Sr8 Ca24 Mn32 O80",
            "formula_reduced": "SrCa3Mn4O10",
            "formula_anonymous": "AB3C4D10",
            "energy": -1118.34737203,
            "energy_per_atom": -7.766301194652779,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1010.01137203,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 127.7812452,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:34.460000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1076206",
            "created_at": "2022-09-04T14:39:06.457431Z",
            "structure_string": "K16 Na16 Nb8 W24 O80\n1.0\n0.031995 0.018796 11.584984\n11.741869 0.051400 0.033047\n-5.818569 15.535045 -5.783990\nK Na Nb W O\n16 16 8 24 80\ndirect\n0.300889 0.064127 0.111358 K\n0.302379 0.559066 0.111077 K\n0.803027 0.059869 0.113311 K\n0.801575 0.556549 0.107985 K\n0.199288 0.937181 0.389372 K\n0.191480 0.929424 0.879386 K\n0.699157 0.441195 0.394762 K\n0.687774 0.420610 0.878506 K\n0.697231 0.934803 0.389940 K\n0.053430 0.298459 0.110105 K\n0.053622 0.793918 0.109453 K\n0.549232 0.295930 0.109906 K\n0.554018 0.796379 0.109473 K\n0.449559 0.709353 0.392177 K\n0.441741 0.705037 0.882767 K\n0.939842 0.702293 0.877262 K\n0.302239 0.073935 0.600853 Na\n0.304584 0.566298 0.601987 Na\n0.806205 0.059429 0.598644 Na\n0.812474 0.567406 0.604009 Na\n0.198774 0.443241 0.402019 Na\n0.200546 0.434083 0.899066 Na\n0.701329 0.936108 0.898372 Na\n0.052648 0.282682 0.596220 Na\n0.064564 0.789214 0.603216 Na\n0.558212 0.282702 0.601734 Na\n0.556693 0.785264 0.600872 Na\n0.447050 0.211476 0.403948 Na\n0.446790 0.217366 0.896435 Na\n0.946323 0.214526 0.401419 Na\n0.954485 0.213474 0.899708 Na\n0.947241 0.714064 0.402363 Na\n0.107828 0.095340 0.744085 Nb\n0.124653 0.573482 0.743574 Nb\n0.577019 0.068889 0.746738 Nb\n0.597862 0.581281 0.741874 Nb\n0.322619 0.414997 0.744734 Nb\n0.376171 0.921351 0.744855 Nb\n0.864726 0.397996 0.742332 Nb\n0.840785 0.921335 0.747227 Nb\n0.001033 0.999098 0.996390 W\n0.013301 0.003150 0.503716 W\n0.000224 0.495469 0.994829 W\n0.014310 0.504102 0.504485 W\n0.501167 0.997592 0.996011 W\n0.511391 0.005466 0.508349 W\n0.499709 0.498242 0.994251 W\n0.513825 0.502385 0.507077 W\n0.251806 0.248466 0.995102 W\n0.261359 0.256925 0.505791 W\n0.248408 0.745469 0.993452 W\n0.264574 0.752971 0.505859 W\n0.748489 0.242918 0.993563 W\n0.764171 0.251913 0.506090 W\n0.749725 0.745100 0.992798 W\n0.765121 0.755310 0.508400 W\n0.105012 0.106902 0.259161 W\n0.093288 0.611472 0.256858 W\n0.602511 0.100913 0.257468 W\n0.601567 0.605313 0.251979 W\n0.343349 0.400111 0.257677 W\n0.364066 0.895390 0.249644 W\n0.854242 0.401888 0.252234 W\n0.865239 0.893731 0.249618 W\n0.126629 0.126033 0.489412 O\n0.117189 0.119396 0.980957 O\n0.129685 0.621800 0.490071 O\n0.118250 0.612367 0.978953 O\n0.631287 0.128434 0.499455 O\n0.619958 0.113987 0.983495 O\n0.633614 0.625273 0.498901 O\n0.618946 0.615670 0.980917 O\n0.127101 0.373424 0.997911 O\n0.146812 0.389848 0.521262 O\n0.126734 0.874190 0.999622 O\n0.148511 0.888390 0.524111 O\n0.623377 0.369675 0.997468 O\n0.650518 0.388697 0.528228 O\n0.629518 0.875082 0.000275 O\n0.647630 0.888362 0.525390 O\n0.382492 0.128424 0.498404 O\n0.370501 0.117675 0.980452 O\n0.380004 0.617808 0.495211 O\n0.368196 0.616556 0.985098 O\n0.880903 0.120838 0.490240 O\n0.868277 0.114440 0.980757 O\n0.886539 0.626792 0.499807 O\n0.868979 0.614403 0.981768 O\n0.377216 0.376074 0.000007 O\n0.400827 0.388169 0.528229 O\n0.377114 0.876508 0.002281 O\n0.397867 0.888469 0.526158 O\n0.876136 0.369786 0.997822 O\n0.899335 0.385917 0.524058 O\n0.875336 0.875893 0.999942 O\n0.900274 0.889335 0.526782 O\n0.065506 0.079963 0.134219 O\n0.086578 0.118137 0.640782 O\n0.069040 0.569263 0.132526 O\n0.096678 0.610463 0.643471 O\n0.564494 0.077371 0.133735 O\n0.574441 0.097372 0.646069 O\n0.574675 0.579721 0.130562 O\n0.585685 0.615847 0.644111 O\n0.444584 0.396951 0.371332 O\n0.420996 0.414873 0.854278 O\n0.443224 0.927632 0.373011 O\n0.442552 0.911019 0.854155 O\n0.950286 0.400066 0.368570 O\n0.935780 0.395823 0.855018 O\n0.942733 0.902255 0.370326 O\n0.931180 0.914781 0.855659 O\n0.316340 0.304807 0.134837 O\n0.316084 0.291804 0.642459 O\n0.312973 0.798764 0.130836 O\n0.341576 0.785158 0.644058 O\n0.824057 0.297106 0.134256 O\n0.841274 0.267152 0.641571 O\n0.818424 0.795143 0.130836 O\n0.833885 0.792578 0.647329 O\n0.204306 0.225760 0.369180 O\n0.189954 0.209984 0.853401 O\n0.204888 0.709056 0.371831 O\n0.188060 0.693773 0.852376 O\n0.703437 0.211568 0.370257 O\n0.671488 0.182230 0.854191 O\n0.704591 0.702276 0.371493 O\n0.678929 0.699009 0.850546 O\n0.451606 0.072591 0.273242 O\n0.405383 0.093427 0.746970 O\n0.453757 0.531584 0.253980 O\n0.431540 0.541291 0.734063 O\n0.956818 0.066418 0.276902 O\n0.946869 0.051115 0.744275 O\n0.943359 0.564298 0.271525 O\n0.946491 0.533284 0.732614 O\n0.189867 0.449470 0.266613 O\n0.150551 0.402648 0.745444 O\n0.205388 0.964018 0.245830 O\n0.195391 0.956800 0.735020 O\n0.695985 0.452257 0.250925 O\n0.700250 0.450254 0.734704 O\n0.709444 0.962692 0.247040 O\n0.670895 0.922003 0.746202 O\n",
            "nsites": 144,
            "nelements": 5,
            "elements": [
                "K",
                "Na",
                "Nb",
                "W",
                "O"
            ],
            "chemical_system": "K-Na-Nb-O-W",
            "density": 5.824433667837679,
            "density_atomic": 0.06799078574053675,
            "volume": 2117.934046968159,
            "volume_molar": 8.857289549471322,
            "formula_full": "K16 Na16 Nb8 W24 O80",
            "formula_reduced": "K2Na2NbW3O10",
            "formula_anonymous": "AB2C2D3E10",
            "energy": -1117.00727811,
            "energy_per_atom": -7.756994986875,
            "energy_above_hull": null,
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            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -955.53527811,
            "band_gap": 0.1203999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 50.0038416,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.465000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1076897",
            "created_at": "2022-09-04T14:46:39.001691Z",
            "structure_string": "Ca28 Mg4 Mn32 O80\n1.0\n-0.037148 -0.060425 10.929344\n11.177914 0.007597 -0.039049\n-5.560064 14.928690 -5.529729\nCa Mg Mn O\n28 4 32 80\ndirect\n0.306197 0.062722 0.605617 Ca\n0.308385 0.562700 0.607119 Ca\n0.806027 0.062116 0.606301 Ca\n0.803865 0.564462 0.107083 Ca\n0.807060 0.563758 0.608266 Ca\n0.193866 0.433117 0.388637 Ca\n0.205029 0.438156 0.897018 Ca\n0.194022 0.936020 0.387796 Ca\n0.205649 0.938469 0.896754 Ca\n0.692889 0.435023 0.389768 Ca\n0.700463 0.434236 0.894782 Ca\n0.691480 0.935424 0.389997 Ca\n0.701172 0.937380 0.895120 Ca\n0.051739 0.291716 0.110189 Ca\n0.053315 0.291859 0.606114 Ca\n0.053907 0.792914 0.608676 Ca\n0.552739 0.293911 0.108158 Ca\n0.554580 0.292099 0.606093 Ca\n0.555018 0.792588 0.108627 Ca\n0.555441 0.791175 0.607381 Ca\n0.446410 0.204429 0.386634 Ca\n0.451830 0.208340 0.892932 Ca\n0.445741 0.706651 0.387076 Ca\n0.450560 0.703801 0.890259 Ca\n0.948549 0.205430 0.388295 Ca\n0.950297 0.204956 0.894671 Ca\n0.949359 0.708531 0.391214 Ca\n0.955415 0.703328 0.896123 Ca\n0.284308 0.072662 0.114347 Mg\n0.285396 0.573293 0.110727 Mg\n0.780892 0.077796 0.113885 Mg\n0.032842 0.793466 0.114662 Mg\n0.013366 0.995377 0.004052 Mn\n0.004461 0.997185 0.497442 Mn\n0.011226 0.502650 0.003665 Mn\n0.006004 0.498618 0.498108 Mn\n0.509320 0.000908 0.002710 Mn\n0.503083 0.996622 0.496741 Mn\n0.507584 0.503307 0.002709 Mn\n0.505590 0.498080 0.497152 Mn\n0.262140 0.250281 0.005963 Mn\n0.254439 0.248840 0.498485 Mn\n0.263747 0.751371 0.005903 Mn\n0.257056 0.748204 0.500039 Mn\n0.759815 0.245058 0.002476 Mn\n0.753698 0.248892 0.498473 Mn\n0.764232 0.753923 0.003860 Mn\n0.754596 0.747433 0.498475 Mn\n0.096675 0.089750 0.241915 Mn\n0.106822 0.100193 0.752286 Mn\n0.107375 0.603796 0.248472 Mn\n0.111590 0.593736 0.752384 Mn\n0.595751 0.094505 0.244488 Mn\n0.609165 0.096844 0.750169 Mn\n0.595616 0.595061 0.244534 Mn\n0.614927 0.592071 0.752108 Mn\n0.353939 0.406538 0.243542 Mn\n0.356401 0.401576 0.750120 Mn\n0.344630 0.900256 0.238118 Mn\n0.360068 0.909334 0.751234 Mn\n0.858519 0.407037 0.248013 Mn\n0.859828 0.399731 0.751959 Mn\n0.856705 0.913584 0.245875 Mn\n0.862710 0.907126 0.753096 Mn\n0.123557 0.119350 0.487345 O\n0.127840 0.113435 0.987752 O\n0.122998 0.616741 0.481254 O\n0.133622 0.615039 0.987627 O\n0.621912 0.117952 0.485997 O\n0.625354 0.114907 0.983266 O\n0.622434 0.617020 0.482934 O\n0.627273 0.621221 0.985351 O\n0.151011 0.393022 0.031992 O\n0.138017 0.379227 0.515055 O\n0.157322 0.887274 0.036263 O\n0.138227 0.877852 0.514944 O\n0.633163 0.379340 0.012585 O\n0.638058 0.379692 0.515501 O\n0.654072 0.894950 0.025468 O\n0.637107 0.878292 0.513566 O\n0.370669 0.116298 0.484741 O\n0.379853 0.121172 0.981259 O\n0.371466 0.613663 0.480647 O\n0.378458 0.620662 0.978963 O\n0.869886 0.116707 0.483191 O\n0.880932 0.107183 0.985734 O\n0.870065 0.614175 0.479345 O\n0.878342 0.612565 0.985329 O\n0.388230 0.397704 0.022414 O\n0.383863 0.379105 0.508911 O\n0.395450 0.897919 0.027052 O\n0.385798 0.881362 0.513221 O\n0.890241 0.382015 0.019390 O\n0.884242 0.380481 0.510012 O\n0.909844 0.880934 0.030003 O\n0.882578 0.879383 0.508082 O\n0.103011 0.103939 0.135541 O\n0.074664 0.093435 0.632883 O\n0.087414 0.617689 0.134689 O\n0.078629 0.596796 0.629291 O\n0.600322 0.103321 0.135013 O\n0.577701 0.093465 0.631885 O\n0.596074 0.598253 0.133490 O\n0.579396 0.595299 0.629072 O\n0.451381 0.400567 0.366109 O\n0.443464 0.404296 0.868527 O\n0.442064 0.904946 0.365414 O\n0.448973 0.898766 0.873037 O\n0.952174 0.398623 0.368127 O\n0.951049 0.402229 0.870767 O\n0.953333 0.904376 0.366819 O\n0.957945 0.895935 0.875065 O\n0.341995 0.261190 0.131471 O\n0.331482 0.287609 0.633059 O\n0.350475 0.757648 0.130956 O\n0.334131 0.779808 0.630582 O\n0.831361 0.266546 0.130725 O\n0.831398 0.286788 0.633527 O\n0.846406 0.776398 0.132941 O\n0.835727 0.781510 0.630220 O\n0.183784 0.204249 0.363231 O\n0.192149 0.217806 0.871624 O\n0.196031 0.716104 0.366320 O\n0.198514 0.724265 0.874905 O\n0.678867 0.209928 0.363404 O\n0.701631 0.211250 0.868321 O\n0.678507 0.711827 0.362750 O\n0.707119 0.723431 0.873809 O\n0.407723 0.076175 0.235973 O\n0.425925 0.082921 0.750196 O\n0.407513 0.579519 0.234889 O\n0.424305 0.564031 0.750060 O\n0.909219 0.084075 0.235291 O\n0.922892 0.082677 0.751324 O\n0.927900 0.579130 0.248626 O\n0.922469 0.563551 0.751468 O\n0.169432 0.436808 0.248235 O\n0.174571 0.418574 0.750617 O\n0.152294 0.920255 0.237039 O\n0.172551 0.937917 0.752022 O\n0.671015 0.438992 0.248705 O\n0.675683 0.416728 0.751443 O\n0.670812 0.939104 0.249460 O\n0.673121 0.934198 0.750993 O\n",
            "nsites": 144,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mg",
                "Mn",
                "O"
            ],
            "chemical_system": "Ca-Mg-Mn-O",
            "density": 3.883312670655332,
            "density_atomic": 0.07909954912773119,
            "volume": 1820.4907814008718,
            "volume_molar": 7.613369262415583,
            "formula_full": "Ca28 Mg4 Mn32 O80",
            "formula_reduced": "Ca7MgMn8O20",
            "formula_anonymous": "AB7C8D20",
            "energy": -1115.7355768,
            "energy_per_atom": -7.7481637277777775,
            "energy_above_hull": null,
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            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1007.3995768,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 128.0017432,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:42.649000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-728473",
            "created_at": "2022-09-04T14:42:27.480176Z",
            "structure_string": "Cr12 H96 C32 N8 O40\n1.0\n8.667829 0.000000 0.000000\n0.000000 11.614538 0.000000\n0.000000 4.989398 19.948055\nCr H C N O\n12 96 32 8 40\ndirect\n0.735205 0.703411 0.659707 Cr\n0.764795 0.203411 0.159707 Cr\n0.264795 0.296589 0.340293 Cr\n0.235205 0.796589 0.840293 Cr\n0.764364 0.563988 0.537915 Cr\n0.735636 0.063988 0.037915 Cr\n0.235636 0.436012 0.462085 Cr\n0.264364 0.936012 0.962085 Cr\n0.738099 0.259685 0.579436 Cr\n0.761901 0.759685 0.079436 Cr\n0.261901 0.740315 0.420564 Cr\n0.238099 0.240315 0.920564 Cr\n0.023175 0.463000 0.683353 H\n0.476825 0.963000 0.183353 H\n0.976825 0.537000 0.316647 H\n0.523175 0.037000 0.816647 H\n0.137380 0.367896 0.646057 H\n0.362620 0.867896 0.146057 H\n0.862620 0.632104 0.353943 H\n0.637380 0.132104 0.853943 H\n0.120980 0.338042 0.736290 H\n0.379020 0.838042 0.236290 H\n0.879020 0.661958 0.263710 H\n0.620980 0.161958 0.763710 H\n0.750127 0.032864 0.702902 H\n0.749873 0.532864 0.202902 H\n0.249873 0.967136 0.297098 H\n0.250127 0.467136 0.797098 H\n0.860124 0.907873 0.748779 H\n0.639876 0.407873 0.248779 H\n0.139876 0.092127 0.251221 H\n0.360124 0.592127 0.751221 H\n0.652974 0.906050 0.754202 H\n0.847026 0.406050 0.254202 H\n0.347026 0.093950 0.245798 H\n0.152974 0.593950 0.745798 H\n0.408023 0.343158 0.745368 H\n0.091977 0.843158 0.245368 H\n0.591977 0.656842 0.254632 H\n0.908023 0.156842 0.754632 H\n0.410368 0.364840 0.655407 H\n0.089632 0.864840 0.155407 H\n0.589632 0.635160 0.344593 H\n0.910368 0.135160 0.844593 H\n0.509335 0.467046 0.693536 H\n0.990665 0.967046 0.193536 H\n0.490665 0.532954 0.306464 H\n0.009335 0.032954 0.806464 H\n0.164973 0.632543 0.625114 H\n0.335027 0.132543 0.125114 H\n0.835027 0.367457 0.374886 H\n0.664973 0.867457 0.874886 H\n0.372883 0.636200 0.630948 H\n0.127117 0.136200 0.130948 H\n0.627117 0.363800 0.369052 H\n0.872883 0.863800 0.869052 H\n0.280896 0.540947 0.585825 H\n0.219104 0.040947 0.085825 H\n0.719104 0.459053 0.414175 H\n0.780896 0.959053 0.914175 H\n0.005874 0.986250 0.600730 H\n0.494126 0.486250 0.100730 H\n0.994126 0.013750 0.399270 H\n0.505874 0.513750 0.899270 H\n0.112851 0.873398 0.573695 H\n0.387149 0.373398 0.073695 H\n0.887149 0.126602 0.426305 H\n0.612851 0.626602 0.926305 H\n0.103674 0.872893 0.661434 H\n0.396326 0.372893 0.161434 H\n0.896326 0.127107 0.338566 H\n0.603674 0.627107 0.838566 H\n0.395452 0.871155 0.581401 H\n0.104548 0.371155 0.081401 H\n0.604548 0.128845 0.418599 H\n0.895452 0.628845 0.918599 H\n0.492908 0.984151 0.612191 H\n0.007092 0.484151 0.112191 H\n0.507092 0.015849 0.387809 H\n0.992908 0.515849 0.887809 H\n0.382583 0.872679 0.668705 H\n0.117417 0.372679 0.168705 H\n0.617417 0.127321 0.331295 H\n0.882583 0.627321 0.831295 H\n0.229483 0.027036 0.700915 H\n0.270517 0.527036 0.200915 H\n0.770517 0.972964 0.299085 H\n0.729483 0.472964 0.799085 H\n0.350081 0.134587 0.645721 H\n0.149919 0.634587 0.145721 H\n0.649919 0.865413 0.354279 H\n0.850081 0.365413 0.854279 H\n0.142526 0.143015 0.636781 H\n0.357474 0.643015 0.136781 H\n0.857474 0.856985 0.363219 H\n0.642526 0.356985 0.863219 H\n0.731760 0.979997 0.502504 H\n0.768240 0.479997 0.002504 H\n0.268240 0.020003 0.497496 H\n0.231760 0.520003 0.997496 H\n0.640924 0.862363 0.472985 H\n0.859076 0.362363 0.972985 H\n0.359076 0.137637 0.527015 H\n0.140924 0.637637 0.027015 H\n0.846616 0.867564 0.479216 H\n0.653384 0.367564 0.979216 H\n0.153384 0.132436 0.520784 H\n0.346616 0.632436 0.020784 H\n0.126365 0.406972 0.689297 C\n0.373635 0.906972 0.189297 C\n0.873635 0.593028 0.310703 C\n0.626365 0.093028 0.810703 C\n0.756364 0.961840 0.748894 C\n0.743636 0.461840 0.248894 C\n0.243636 0.038160 0.251106 C\n0.256364 0.538160 0.751106 C\n0.408807 0.408727 0.696934 C\n0.091193 0.908727 0.196934 C\n0.591193 0.591273 0.303066 C\n0.908807 0.091273 0.803066 C\n0.271646 0.581036 0.628602 C\n0.228354 0.081036 0.128602 C\n0.728354 0.418964 0.371398 C\n0.771646 0.918964 0.871398 C\n0.107326 0.928407 0.610065 C\n0.392674 0.428407 0.110065 C\n0.892674 0.071593 0.389935 C\n0.607326 0.571593 0.889935 C\n0.390696 0.927209 0.617244 C\n0.109304 0.427209 0.117244 C\n0.609304 0.072791 0.382756 C\n0.890696 0.572791 0.882756 C\n0.242268 0.083815 0.650164 C\n0.257732 0.583815 0.150164 C\n0.757732 0.916185 0.349836 C\n0.742268 0.416185 0.849836 C\n0.741398 0.920960 0.468480 C\n0.758602 0.420960 0.968480 C\n0.258602 0.079040 0.531520 C\n0.241398 0.579040 0.031520 C\n0.265579 0.483418 0.691801 N\n0.234421 0.983418 0.191801 N\n0.734421 0.516582 0.308199 N\n0.765579 0.016582 0.808199 N\n0.750260 0.995408 0.397742 N\n0.749740 0.495408 0.897742 N\n0.249740 0.004592 0.602258 N\n0.250260 0.504592 0.102258 N\n0.759482 0.843534 0.624654 O\n0.740518 0.343534 0.124654 O\n0.240518 0.156466 0.375346 O\n0.259482 0.656466 0.875346 O\n0.598599 0.684909 0.715899 O\n0.901401 0.184909 0.215899 O\n0.401401 0.315091 0.284101 O\n0.098599 0.815091 0.784101 O\n0.670978 0.628318 0.595664 O\n0.829022 0.128318 0.095664 O\n0.329022 0.371682 0.404336 O\n0.170978 0.871682 0.904336 O\n0.721918 0.636624 0.462779 O\n0.778082 0.136624 0.962779 O\n0.278082 0.363376 0.537221 O\n0.221918 0.863376 0.037221 O\n0.596498 0.206010 0.630091 O\n0.903502 0.706010 0.130091 O\n0.403502 0.793990 0.369909 O\n0.096498 0.293990 0.869909 O\n0.702712 0.418750 0.548934 O\n0.797288 0.918750 0.048934 O\n0.297288 0.581250 0.451066 O\n0.202712 0.081250 0.951066 O\n0.900362 0.233043 0.619908 O\n0.599638 0.733043 0.119908 O\n0.099638 0.766957 0.380092 O\n0.400362 0.266957 0.880092 O\n0.894985 0.644555 0.693765 O\n0.605015 0.144555 0.193765 O\n0.105015 0.355445 0.306235 O\n0.394985 0.855445 0.806235 O\n0.946223 0.569984 0.549113 O\n0.553777 0.069984 0.049113 O\n0.053777 0.430016 0.450887 O\n0.446223 0.930016 0.950887 O\n0.737965 0.201018 0.515022 O\n0.762035 0.701018 0.015022 O\n0.262035 0.798982 0.484978 O\n0.237965 0.298982 0.984978 O\n",
            "nsites": 188,
            "nelements": 5,
            "elements": [
                "Cr",
                "H",
                "C",
                "N",
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            "chemical_system": "C-Cr-H-N-O",
            "density": 1.5355664651543501,
            "density_atomic": 0.09361490871457712,
            "volume": 2008.2271358421551,
            "volume_molar": 6.432886430900584,
            "formula_full": "Cr12 H96 C32 N8 O40",
            "formula_reduced": "Cr3H24C8(NO5)2",
            "formula_anonymous": "A2B3C8D10E24",
            "energy": -1115.63682655,
            "energy_per_atom": -5.934238439095745,
            "energy_above_hull": null,
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            "energy_uncorrected": -1061.28082655,
            "band_gap": 3.0674,
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            "total_magnetization": 0.0032463,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:50.426000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-616616",
            "created_at": "2022-09-04T14:46:00.559497Z",
            "structure_string": "Sr30 Fe20 Bi20 O92\n1.0\n13.745759 -16.409030 0.000000\n13.745759 16.409030 0.000000\n0.000000 0.000000 5.546359\nSr Fe Bi O\n30 20 20 92\ndirect\n0.688463 0.210210 0.253087 Sr\n0.500000 0.000000 0.255108 Sr\n0.187176 0.907851 0.256567 Sr\n0.789790 0.311537 0.746913 Sr\n0.210210 0.688463 0.746913 Sr\n0.005310 0.280609 0.249649 Sr\n0.092149 0.812824 0.743433 Sr\n0.719391 0.994690 0.750351 Sr\n0.530174 0.787046 0.746324 Sr\n0.994690 0.719391 0.249649 Sr\n0.311537 0.789790 0.253087 Sr\n0.677895 0.431118 0.751121 Sr\n0.907851 0.187176 0.743433 Sr\n0.407174 0.894174 0.751347 Sr\n0.000000 0.500000 0.744892 Sr\n0.212954 0.469826 0.253676 Sr\n0.812824 0.092149 0.256567 Sr\n0.893229 0.625775 0.742207 Sr\n0.322105 0.568882 0.751121 Sr\n0.894174 0.407174 0.248653 Sr\n0.787046 0.530174 0.253676 Sr\n0.106771 0.374225 0.742207 Sr\n0.568882 0.322105 0.248879 Sr\n0.592826 0.105826 0.751347 Sr\n0.431118 0.677895 0.248879 Sr\n0.374225 0.106771 0.257793 Sr\n0.105826 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0.219191 Bi\n0.992492 0.100037 0.220165 Bi\n0.899963 0.007508 0.779835 Bi\n0.191227 0.087188 0.229630 Bi\n0.518525 0.603109 0.787952 Bi\n0.912812 0.808773 0.770370 Bi\n0.375941 0.283520 0.225723 Bi\n0.100037 0.992492 0.779835 Bi\n0.603109 0.518525 0.212048 Bi\n0.717204 0.816862 0.780809 Bi\n0.624059 0.716480 0.225723 Bi\n0.283520 0.375941 0.774277 Bi\n0.921840 0.813579 0.154565 O\n0.813579 0.921840 0.845435 O\n0.884629 0.523180 0.998894 O\n0.835905 0.069764 0.733374 O\n0.272535 0.170988 0.165564 O\n0.930236 0.164095 0.266626 O\n0.900737 0.012874 0.165923 O\n0.500000 0.000000 0.762120 O\n0.549389 0.639689 0.135520 O\n0.787992 0.309414 0.236056 O\n0.523180 0.884629 0.001106 O\n0.877039 0.650979 0.257414 O\n0.009583 0.382875 0.993439 O\n0.330834 0.669166 0.000000 O\n0.012874 0.900737 0.834077 O\n0.743763 0.974012 0.274360 O\n0.829012 0.727465 0.834436 O\n0.987126 0.099263 0.834077 O\n0.170988 0.272535 0.834436 O\n0.990417 0.617125 0.993439 O\n0.191648 0.808352 0.000000 O\n0.113767 0.478960 0.493236 O\n0.668882 0.461831 0.299385 O\n0.672247 0.327753 0.500000 O\n0.521040 0.886233 0.506764 O\n0.290808 0.904939 0.505548 O\n0.309414 0.787992 0.763944 O\n0.007824 0.384822 0.498091 O\n0.906623 0.288498 0.997498 O\n0.558005 0.441995 0.000000 O\n0.669166 0.330834 0.000000 O\n0.220521 0.575037 0.502985 O\n0.594298 0.107391 0.242554 O\n0.478960 0.113767 0.506764 O\n0.538169 0.331118 0.700615 O\n0.093377 0.711502 0.997498 O\n0.461831 0.668882 0.700615 O\n0.779479 0.424963 0.502985 O\n0.808352 0.191648 0.000000 O\n0.776573 0.557908 0.728998 O\n0.775997 0.428977 0.998365 O\n0.405702 0.892609 0.242554 O\n0.078160 0.186421 0.154565 O\n0.099263 0.987126 0.165923 O\n0.349021 0.122961 0.742586 O\n0.441995 0.558005 0.000000 O\n0.904939 0.290808 0.494452 O\n0.575037 0.220521 0.497015 O\n0.223427 0.442092 0.728998 O\n0.711502 0.093377 0.002502 O\n0.557908 0.776573 0.271002 O\n0.115371 0.476820 0.998894 O\n0.690586 0.212008 0.763944 O\n0.265113 0.360274 0.153132 O\n0.615178 0.992176 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O\n0.212008 0.690586 0.236056 O\n0.639726 0.734887 0.846868 O\n0.360274 0.265113 0.846868 O\n0.886233 0.521040 0.493236 O\n",
            "nsites": 162,
            "nelements": 4,
            "elements": [
                "Sr",
                "Fe",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Fe-O-Sr",
            "density": 6.2366469208269875,
            "density_atomic": 0.06474785832618105,
            "volume": 2502.013258629972,
            "volume_molar": 9.300911127688874,
            "formula_full": "Sr30 Fe20 Bi20 O92",
            "formula_reduced": "Sr15Fe10(Bi5O23)2",
            "formula_anonymous": "A10B10C15D46",
            "energy": -1115.44459947,
            "energy_per_atom": -6.885460490555555,
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            "energy_uncorrected": -1007.12059947,
            "band_gap": 0.0,
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            "is_magnetic": true,
            "total_magnetization": 96.001927,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:14.390000Z",
            "spacegroup": 21
        },
        {
            "id": "mp-1076496",
            "created_at": "2022-09-04T14:39:29.127489Z",
            "structure_string": "Sr16 Ca16 Mn32 O80\n1.0\n-0.001644 -0.012131 11.042109\n11.166806 0.000284 -0.001684\n-5.581989 15.734863 -5.537130\nSr Ca Mn O\n16 16 32 80\ndirect\n0.308830 0.559834 0.611231 Sr\n0.807545 0.056659 0.608721 Sr\n0.810655 0.558645 0.611191 Sr\n0.195831 0.439001 0.386318 Sr\n0.201014 0.442586 0.894069 Sr\n0.696353 0.439413 0.386208 Sr\n0.697643 0.937564 0.385912 Sr\n0.702146 0.941137 0.893869 Sr\n0.060982 0.299856 0.610579 Sr\n0.060027 0.802286 0.609811 Sr\n0.559114 0.301147 0.610826 Sr\n0.559209 0.801757 0.609687 Sr\n0.445845 0.197095 0.386356 Sr\n0.451413 0.201714 0.892217 Sr\n0.947119 0.196242 0.386322 Sr\n0.950340 0.201899 0.893448 Sr\n0.305222 0.063584 0.104490 Ca\n0.306953 0.058984 0.603990 Ca\n0.305438 0.564030 0.105787 Ca\n0.803787 0.063553 0.104064 Ca\n0.807036 0.563035 0.106189 Ca\n0.201711 0.936146 0.391944 Ca\n0.204385 0.938727 0.899570 Ca\n0.703349 0.439605 0.900074 Ca\n0.053992 0.291132 0.104971 Ca\n0.055945 0.791762 0.104816 Ca\n0.552863 0.290721 0.103476 Ca\n0.555422 0.790925 0.102925 Ca\n0.448114 0.704206 0.392004 Ca\n0.451453 0.709487 0.898324 Ca\n0.950190 0.704742 0.392027 Ca\n0.953958 0.710257 0.899578 Ca\n0.009710 0.000623 0.003731 Mn\n0.004700 0.997972 0.497343 Mn\n0.007175 0.502584 0.003307 Mn\n0.002278 0.499667 0.497615 Mn\n0.507946 0.000805 0.002822 Mn\n0.502192 0.998608 0.497441 Mn\n0.508422 0.502259 0.002997 Mn\n0.501904 0.499004 0.497227 Mn\n0.258140 0.252125 0.003659 Mn\n0.253422 0.247996 0.498557 Mn\n0.258343 0.752302 0.003008 Mn\n0.252600 0.748979 0.496929 Mn\n0.758301 0.253972 0.004665 Mn\n0.752898 0.249126 0.498356 Mn\n0.758447 0.749559 0.001719 Mn\n0.752575 0.746973 0.496283 Mn\n0.104769 0.085391 0.243558 Mn\n0.118442 0.093181 0.755645 Mn\n0.105254 0.598373 0.244872 Mn\n0.114734 0.604173 0.756622 Mn\n0.603262 0.085512 0.241478 Mn\n0.608766 0.099842 0.751852 Mn\n0.603672 0.592177 0.243188 Mn\n0.612891 0.596476 0.759095 Mn\n0.353285 0.408341 0.243420 Mn\n0.368286 0.408191 0.756185 Mn\n0.350709 0.897677 0.244067 Mn\n0.359790 0.904977 0.753872 Mn\n0.854585 0.409114 0.244387 Mn\n0.860180 0.415120 0.759585 Mn\n0.858779 0.896190 0.241659 Mn\n0.867938 0.903178 0.754226 Mn\n0.128404 0.118350 0.493831 O\n0.129963 0.121184 0.994902 O\n0.120884 0.623695 0.489438 O\n0.124955 0.626102 0.993229 O\n0.624920 0.122266 0.494343 O\n0.629190 0.125920 0.997942 O\n0.621959 0.622987 0.491592 O\n0.626787 0.621407 0.990617 O\n0.137518 0.382900 0.017227 O\n0.129205 0.375509 0.502709 O\n0.138381 0.880136 0.013092 O\n0.130959 0.876094 0.499035 O\n0.639401 0.384563 0.016694 O\n0.628421 0.375471 0.500846 O\n0.636454 0.877990 0.013460 O\n0.625267 0.871063 0.497472 O\n0.371431 0.116168 0.491744 O\n0.375211 0.117814 0.993379 O\n0.375775 0.623968 0.492730 O\n0.380115 0.624476 0.993955 O\n0.877562 0.121598 0.496666 O\n0.879672 0.122492 0.997466 O\n0.875251 0.622328 0.491866 O\n0.875554 0.618438 0.989915 O\n0.387665 0.385539 0.015560 O\n0.378510 0.376170 0.501924 O\n0.387776 0.883555 0.014246 O\n0.377877 0.878503 0.502739 O\n0.885341 0.385730 0.014169 O\n0.878407 0.375728 0.501257 O\n0.889909 0.881995 0.015050 O\n0.880503 0.873332 0.498985 O\n0.086867 0.090100 0.133359 O\n0.087071 0.074889 0.640282 O\n0.075175 0.596089 0.131143 O\n0.071766 0.583504 0.638926 O\n0.580055 0.092325 0.131537 O\n0.574598 0.078502 0.635268 O\n0.578228 0.596069 0.131730 O\n0.576364 0.579857 0.643415 O\n0.429678 0.417658 0.356874 O\n0.449008 0.415436 0.873281 O\n0.431982 0.913257 0.358952 O\n0.449042 0.913377 0.870255 O\n0.930821 0.417203 0.357627 O\n0.945637 0.415027 0.872676 O\n0.937492 0.914421 0.357478 O\n0.949546 0.910921 0.871738 O\n0.334259 0.291202 0.133286 O\n0.329631 0.301341 0.639384 O\n0.325311 0.786812 0.131459 O\n0.319459 0.803728 0.638358 O\n0.836271 0.293623 0.134555 O\n0.825860 0.315794 0.644352 O\n0.831481 0.783575 0.129242 O\n0.824205 0.806514 0.636666 O\n0.181091 0.188882 0.357213 O\n0.194502 0.206179 0.870613 O\n0.191253 0.697730 0.359656 O\n0.203190 0.712814 0.872961 O\n0.681661 0.183377 0.356220 O\n0.688522 0.209222 0.870050 O\n0.690078 0.687267 0.357530 O\n0.702830 0.707256 0.872001 O\n0.424608 0.058521 0.238083 O\n0.426757 0.066111 0.745160 O\n0.426262 0.577889 0.246272 O\n0.438695 0.583089 0.762163 O\n0.925999 0.062021 0.236920 O\n0.942768 0.067215 0.752552 O\n0.926615 0.577410 0.247482 O\n0.936909 0.579689 0.763737 O\n0.174002 0.428305 0.237961 O\n0.190407 0.441838 0.753844 O\n0.173689 0.917404 0.245840 O\n0.186966 0.927195 0.762565 O\n0.673012 0.424072 0.236710 O\n0.682906 0.430130 0.762750 O\n0.679346 0.921556 0.237206 O\n0.692619 0.941934 0.754224 O\n",
            "nsites": 144,
            "nelements": 4,
            "elements": [
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                "Ca",
                "Mn",
                "O"
            ],
            "chemical_system": "Ca-Mn-O-Sr",
            "density": 4.3504093140404185,
            "density_atomic": 0.07424762605323477,
            "volume": 1939.4559483525238,
            "volume_molar": 8.11088661027652,
            "formula_full": "Sr16 Ca16 Mn32 O80",
            "formula_reduced": "SrCaMn2O5",
            "formula_anonymous": "ABC2D5",
            "energy": -1115.2911212,
            "energy_per_atom": -7.745077230555555,
            "energy_above_hull": null,
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            "energy_uncorrected": -1006.9551212,
            "band_gap": 0.0,
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            "total_magnetization": 127.6066658,
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            "updated_at": "2021-11-28T01:34:23.915000Z",
            "spacegroup": 1
        }
    ]
}