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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11519",
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"results": [
{
"id": "mp-758924",
"created_at": "2022-09-04T14:46:12.511591Z",
"structure_string": "Li9 Mn4 B8 O24\n1.0\n5.280913 0.000000 0.000000\n-0.011144 8.728778 0.000000\n-0.551757 -0.049173 9.794717\nLi Mn B O\n9 4 8 24\ndirect\n0.186873 0.655000 0.630543 Li\n0.174496 0.981558 0.109224 Li\n0.315096 0.157252 0.868255 Li\n0.324908 0.484063 0.388318 Li\n0.677385 0.519886 0.612459 Li\n0.670775 0.833258 0.122348 Li\n0.822216 0.017092 0.876891 Li\n0.812036 0.357224 0.368930 Li\n0.859692 0.026044 0.343950 Li\n0.132445 0.308921 0.129259 Mn\n0.368708 0.800788 0.374277 Mn\n0.627563 0.196783 0.623836 Mn\n0.872678 0.695022 0.872064 Mn\n0.174783 0.315213 0.615375 B\n0.158418 0.653891 0.129103 B\n0.324647 0.819047 0.881491 B\n0.338107 0.152916 0.368451 B\n0.659625 0.846969 0.630917 B\n0.673300 0.183167 0.125378 B\n0.839956 0.347392 0.869361 B\n0.827563 0.681274 0.382227 B\n0.066864 0.309396 0.937230 O\n0.086536 0.664368 0.405491 O\n0.164044 0.937918 0.904123 O\n0.225083 0.676353 0.842539 O\n0.196497 0.281772 0.325879 O\n0.227444 0.014126 0.349672 O\n0.274978 0.172790 0.652967 O\n0.338177 0.433049 0.595679 O\n0.253217 0.511888 0.156754 O\n0.306878 0.777613 0.175956 O\n0.428404 0.811520 0.568504 O\n0.414333 0.171974 0.096954 O\n0.585206 0.833106 0.903551 O\n0.586364 0.174683 0.425160 O\n0.687401 0.224802 0.821022 O\n0.754458 0.491106 0.839210 O\n0.667429 0.562780 0.402624 O\n0.729980 0.824515 0.343212 O\n0.753910 0.991464 0.654565 O\n0.814617 0.725713 0.677243 O\n0.778520 0.325973 0.158546 O\n0.824812 0.056269 0.122574 O\n0.915198 0.330194 0.592572 O\n0.926073 0.684374 0.063620 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 2.7683031588481155,
"density_atomic": 0.09966855466453119,
"volume": 451.49646396963396,
"volume_molar": 6.04216724148312,
"formula_full": "Li9 Mn4 B8 O24",
"formula_reduced": "Li9Mn4(BO3)8",
"formula_anonymous": "A4B8C9D24",
"energy": -335.70975884,
"energy_per_atom": -7.460216863111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -312.54975884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9689609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.631000Z",
"spacegroup": 1
},
{
"id": "mp-1233763",
"created_at": "2022-09-04T14:46:12.566748Z",
"structure_string": "Mg1 Cr3 S6 O24\n1.0\n8.987803 0.096119 0.107833\n5.126869 7.617802 0.082494\n5.157767 2.794648 6.901644\nMg Cr S O\n1 3 6 24\ndirect\n0.581000 0.226975 0.831326 Mg\n0.350367 0.354811 0.357795 Cr\n0.657215 0.652289 0.639315 Cr\n0.849182 0.836177 0.848776 Cr\n0.048868 0.728739 0.467476 S\n0.469906 0.026646 0.736906 S\n0.739245 0.468757 0.034492 S\n0.251300 0.566662 0.952577 S\n0.528233 0.959632 0.265133 S\n0.956223 0.253167 0.536107 S\n0.110753 0.274723 0.530468 O\n0.268217 0.533810 0.123793 O\n0.000365 0.920261 0.329838 O\n0.509069 0.127757 0.272715 O\n0.026365 0.717768 0.652276 O\n0.249860 0.597544 0.395158 O\n0.383751 0.224965 0.612737 O\n0.336422 0.958397 0.929807 O\n0.609913 0.381576 0.235173 O\n0.044814 0.677402 0.975793 O\n0.316810 0.383856 0.940806 O\n0.347081 0.949874 0.322306 O\n0.632852 0.042513 0.740300 O\n0.707598 0.655958 0.020175 O\n0.940822 0.348267 0.982915 O\n0.373145 0.682130 0.766762 O\n0.659699 0.982391 0.049020 O\n0.649428 0.776571 0.376739 O\n0.751287 0.388244 0.637955 O\n0.968669 0.292809 0.352636 O\n0.582355 0.905349 0.620508 O\n0.942590 0.061802 0.693417 O\n0.658288 0.508957 0.900887 O\n0.922095 0.628436 0.527417 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"S",
"O"
],
"chemical_system": "Cr-Mg-O-S",
"density": 2.705519795609178,
"density_atomic": 0.0732107154777584,
"volume": 464.41289062841196,
"volume_molar": 8.225764112125828,
"formula_full": "Mg1 Cr3 S6 O24",
"formula_reduced": "MgCr3(SO4)6",
"formula_anonymous": "AB3C6D24",
"energy": -240.02591133,
"energy_per_atom": -7.059585627352941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.54091133,
"band_gap": 0.1706,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.106000Z",
"spacegroup": 1
},
{
"id": "mp-1075015",
"created_at": "2022-09-04T14:46:12.541919Z",
"structure_string": "Mg6 Si8\n1.0\n5.044503 0.000000 0.000000\n0.803621 7.309210 0.000000\n2.496099 1.891582 7.270711\nMg Si\n6 8\ndirect\n0.705912 0.974595 0.581347 Mg\n0.327734 0.714572 0.514712 Mg\n0.553983 0.688340 0.125244 Mg\n0.787745 0.275738 0.079804 Mg\n0.911767 0.378991 0.603596 Mg\n0.093817 0.935150 0.857911 Mg\n0.099405 0.560708 0.058647 Si\n0.170006 0.011812 0.212233 Si\n0.327247 0.351327 0.771522 Si\n0.529704 0.621061 0.806977 Si\n0.952491 0.704276 0.318126 Si\n0.505452 0.359113 0.428753 Si\n0.238141 0.096136 0.466467 Si\n0.543215 0.074628 0.928014 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2950281312605307,
"density_atomic": 0.052223061593196674,
"volume": 268.08079750391045,
"volume_molar": 11.531573554440037,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.94303151,
"energy_per_atom": -3.6387879649999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.51103151,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.390000Z",
"spacegroup": 1
},
{
"id": "mp-1176218",
"created_at": "2022-09-04T14:46:12.633173Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.018544 0.000000 0.000000\n-1.306600 4.950915 0.000000\n-1.027768 -0.760211 19.453804\nLi Mn Co O\n9 2 5 16\ndirect\n0.310107 0.561260 0.063897 Li\n0.937260 0.687157 0.188032 Li\n0.563149 0.813914 0.312617 Li\n0.193470 0.934965 0.438124 Li\n0.811477 0.055988 0.561692 Li\n0.438779 0.193857 0.687819 Li\n0.056157 0.315514 0.810308 Li\n0.687890 0.435908 0.937858 Li\n0.124475 0.624449 0.624267 Li\n0.008956 0.000039 0.000455 Mn\n0.370214 0.873453 0.872324 Mn\n0.630967 0.124991 0.127173 Co\n0.251496 0.251973 0.251771 Co\n0.876946 0.375765 0.376976 Co\n0.505306 0.505171 0.504664 Co\n0.734621 0.744943 0.743105 Co\n0.692643 0.266773 0.035555 O\n0.269539 0.388941 0.160508 O\n0.887791 0.514607 0.285569 O\n0.512839 0.631374 0.412000 O\n0.167243 0.753950 0.528314 O\n0.785889 0.901299 0.664756 O\n0.421628 0.010377 0.781563 O\n0.058083 0.143459 0.908072 O\n0.993982 0.862956 0.092749 O\n0.611089 0.986665 0.217323 O\n0.227773 0.109380 0.341852 O\n0.819344 0.240223 0.466136 O\n0.463594 0.348753 0.583087 O\n0.074425 0.495845 0.720052 O\n0.696538 0.614723 0.836399 O\n0.316330 0.731331 0.964984 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1295312582856845,
"density_atomic": 0.11006835132788173,
"volume": 290.7284393192686,
"volume_molar": 5.471273701611731,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.30376067,
"energy_per_atom": -6.4782425209375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.78576067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.001651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.664000Z",
"spacegroup": 1
},
{
"id": "mp-1076891",
"created_at": "2022-09-04T14:46:12.716510Z",
"structure_string": "K16 Na16 Mo24 W8 O80\n1.0\n0.008383 0.003500 11.524679\n11.749514 -0.004568 0.008597\n-5.885207 15.459614 -5.762228\nK Na Mo W O\n16 16 24 8 80\ndirect\n0.305557 0.066357 0.109448 K\n0.304692 0.562928 0.108994 K\n0.806497 0.065222 0.111329 K\n0.805688 0.563257 0.109795 K\n0.199670 0.936001 0.394101 K\n0.193341 0.929204 0.883804 K\n0.699884 0.435742 0.394960 K\n0.693645 0.430532 0.885984 K\n0.698901 0.934359 0.394559 K\n0.057966 0.295761 0.109921 K\n0.055016 0.792521 0.107972 K\n0.554475 0.293481 0.108150 K\n0.555285 0.794501 0.107253 K\n0.450297 0.710217 0.395200 K\n0.442027 0.705816 0.884523 K\n0.943384 0.703862 0.884270 K\n0.298466 0.069813 0.602506 Na\n0.299972 0.562901 0.598862 Na\n0.801269 0.067006 0.602419 Na\n0.797364 0.566467 0.600353 Na\n0.201822 0.436783 0.402673 Na\n0.199200 0.435332 0.898483 Na\n0.697659 0.934896 0.897171 Na\n0.050480 0.282549 0.601217 Na\n0.049103 0.785388 0.599476 Na\n0.549687 0.285266 0.600427 Na\n0.550846 0.784313 0.601068 Na\n0.451589 0.214802 0.403607 Na\n0.448828 0.212152 0.897978 Na\n0.950863 0.216049 0.403100 Na\n0.947336 0.212750 0.897713 Na\n0.950361 0.715205 0.402256 Na\n0.006338 0.999072 0.996456 Mo\n0.014023 0.001635 0.504017 Mo\n0.005408 0.496475 0.996149 Mo\n0.013486 0.501146 0.501137 Mo\n0.505487 0.998711 0.994489 Mo\n0.513395 0.004880 0.505730 Mo\n0.506165 0.496838 0.996650 Mo\n0.514361 0.500860 0.504719 Mo\n0.255838 0.249134 0.995920 Mo\n0.263776 0.253346 0.503792 Mo\n0.255397 0.746451 0.995253 Mo\n0.262520 0.749299 0.503036 Mo\n0.756810 0.245582 0.994470 Mo\n0.766182 0.250931 0.504166 Mo\n0.755708 0.749738 0.996559 Mo\n0.764514 0.752521 0.505507 Mo\n0.098029 0.105754 0.257036 Mo\n0.096477 0.593336 0.256522 Mo\n0.597732 0.099673 0.254614 Mo\n0.599197 0.592584 0.251608 Mo\n0.345912 0.403300 0.257159 Mo\n0.348287 0.913933 0.252173 Mo\n0.853833 0.405964 0.253781 Mo\n0.851408 0.910370 0.254887 Mo\n0.088966 0.098272 0.748198 W\n0.088170 0.584462 0.739315 W\n0.586479 0.089695 0.746787 W\n0.588180 0.590739 0.743376 W\n0.337761 0.400148 0.748788 W\n0.337930 0.906543 0.740289 W\n0.842227 0.399260 0.744180 W\n0.835399 0.909989 0.746522 W\n0.128259 0.124330 0.489048 O\n0.123299 0.121752 0.985151 O\n0.126826 0.615637 0.482225 O\n0.124650 0.613842 0.983969 O\n0.630121 0.124540 0.492347 O\n0.624420 0.116406 0.981939 O\n0.631471 0.622745 0.493279 O\n0.624368 0.619271 0.986644 O\n0.133430 0.376880 0.003847 O\n0.146078 0.386600 0.519086 O\n0.135351 0.876870 0.007036 O\n0.144083 0.880596 0.518978 O\n0.633788 0.374451 0.005420 O\n0.646025 0.383187 0.520947 O\n0.635575 0.879428 0.005555 O\n0.647184 0.887266 0.524183 O\n0.381167 0.122266 0.488524 O\n0.374839 0.118993 0.982463 O\n0.378339 0.615961 0.490787 O\n0.372682 0.613806 0.985132 O\n0.882672 0.119641 0.488339 O\n0.874133 0.115306 0.982596 O\n0.882840 0.621555 0.489814 O\n0.874434 0.617367 0.986869 O\n0.383957 0.377956 0.004684 O\n0.395737 0.385224 0.518825 O\n0.384372 0.879481 0.006185 O\n0.396860 0.889753 0.525035 O\n0.886121 0.376581 0.006072 O\n0.897789 0.386046 0.520433 O\n0.882994 0.880245 0.005570 O\n0.896248 0.886004 0.521066 O\n0.075386 0.089503 0.138854 O\n0.091413 0.105895 0.638517 O\n0.077495 0.585620 0.141473 O\n0.092085 0.611259 0.638236 O\n0.574981 0.089002 0.137731 O\n0.587982 0.110572 0.641985 O\n0.577662 0.590161 0.137520 O\n0.593466 0.610731 0.638876 O\n0.447971 0.390959 0.364838 O\n0.439439 0.393659 0.858207 O\n0.445662 0.908763 0.364443 O\n0.444029 0.912557 0.855213 O\n0.951371 0.390492 0.362773 O\n0.938115 0.397105 0.856813 O\n0.944582 0.893040 0.364131 O\n0.943791 0.910478 0.858405 O\n0.325936 0.302728 0.139169 O\n0.338963 0.283400 0.638649 O\n0.330319 0.799937 0.139959 O\n0.338589 0.775515 0.639258 O\n0.833141 0.299422 0.138567 O\n0.847849 0.276563 0.638313 O\n0.833028 0.801817 0.140528 O\n0.839614 0.784715 0.642186 O\n0.204170 0.223587 0.364254 O\n0.191841 0.213105 0.857621 O\n0.202628 0.709646 0.365218 O\n0.188522 0.692621 0.856262 O\n0.708725 0.207638 0.364744 O\n0.702316 0.198015 0.856821 O\n0.700189 0.704034 0.365052 O\n0.683678 0.707466 0.857013 O\n0.441576 0.071209 0.267170 O\n0.418400 0.069181 0.750619 O\n0.440686 0.545815 0.253446 O\n0.417631 0.541738 0.730969 O\n0.943199 0.068300 0.269405 O\n0.922315 0.065267 0.750062 O\n0.938109 0.566149 0.266980 O\n0.916675 0.544707 0.729042 O\n0.188824 0.448582 0.267690 O\n0.171674 0.433297 0.751554 O\n0.186606 0.956234 0.251565 O\n0.166007 0.937841 0.729660 O\n0.692218 0.448210 0.252817 O\n0.671900 0.435521 0.733281 O\n0.688739 0.952410 0.252229 O\n0.665825 0.933473 0.746977 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"K",
"Na",
"Mo",
"W",
"O"
],
"chemical_system": "K-Mo-Na-O-W",
"density": 4.796575022060945,
"density_atomic": 0.06879081327026579,
"volume": 2093.302770447732,
"volume_molar": 8.754280511759868,
"formula_full": "K16 Na16 Mo24 W8 O80",
"formula_reduced": "K2Na2Mo3WO10",
"formula_anonymous": "AB2C2D3E10",
"energy": -1060.91621503,
"energy_per_atom": -7.367473715486112,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -893.60421503,
"band_gap": 0.4965000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 63.9676941,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.841000Z",
"spacegroup": 1
},
{
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},
{
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}