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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=26",
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"results": [
{
"id": "mp-626835",
"created_at": "2022-09-04T14:39:16.208285Z",
"structure_string": "H16 Pt2 O12\n1.0\n5.611497 0.000000 0.000000\n0.845140 5.659056 0.000000\n0.202758 0.327895 7.343995\nH Pt O\n16 2 12\ndirect\n0.014961 0.982590 0.470047 H\n0.155308 0.850312 0.279157 H\n0.084313 0.899698 0.015122 H\n0.867117 0.188853 0.699002 H\n0.867671 0.192197 0.010580 H\n0.524621 0.553521 0.487638 H\n0.460271 0.430022 0.996709 H\n0.392473 0.256618 0.573609 H\n0.776339 0.588315 0.091821 H\n0.120039 0.404462 0.177897 H\n0.571623 0.145310 0.295802 H\n0.626165 0.806682 0.384006 H\n0.161353 0.472028 0.838888 H\n0.879542 0.616829 0.849657 H\n0.512846 0.847726 0.649351 H\n0.243377 0.942641 0.717282 H\n0.003771 0.515804 0.496174 Pt\n0.517488 0.980247 0.996447 Pt\n0.121265 0.832237 0.423657 O\n0.224494 0.841998 0.092596 O\n0.895546 0.203838 0.563657 O\n0.832355 0.092358 0.912742 O\n0.645836 0.679013 0.499124 O\n0.340155 0.318512 0.999349 O\n0.356356 0.382131 0.477759 O\n0.683730 0.640187 0.976601 O\n0.958729 0.439354 0.238572 O\n0.633950 0.989314 0.248166 O\n0.043620 0.591711 0.766822 O\n0.411091 0.972716 0.726021 O\n",
"nsites": 30,
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"elements": [
"H",
"Pt",
"O"
],
"chemical_system": "H-O-Pt",
"density": 4.259946788772672,
"density_atomic": 0.1286370747613615,
"volume": 233.21425845273535,
"volume_molar": 4.681496972137975,
"formula_full": "H16 Pt2 O12",
"formula_reduced": "H8PtO6",
"formula_anonymous": "AB6C8",
"energy": -160.24977697,
"energy_per_atom": -5.341659232333333,
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"band_gap": 1.9426,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.076000Z",
"spacegroup": 1
},
{
"id": "mp-1174406",
"created_at": "2022-09-04T14:39:16.210895Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n2.968590 0.000000 0.000000\n-1.235819 4.922410 0.000000\n-0.458107 -2.045001 9.853213\nLi Mn Co O\n5 2 1 8\ndirect\n0.747138 0.506977 0.129486 Li\n0.254439 0.512683 0.378245 Li\n0.772522 0.504202 0.613318 Li\n0.238164 0.487068 0.876825 Li\n0.981367 0.982111 0.499197 Li\n0.006495 0.005280 0.003588 Mn\n0.504865 0.995339 0.741068 Mn\n0.492396 0.004356 0.262102 Co\n0.361232 0.775658 0.072688 O\n0.852908 0.773686 0.306142 O\n0.373961 0.754212 0.576059 O\n0.919017 0.785692 0.812680 O\n0.136854 0.229565 0.185501 O\n0.618989 0.234128 0.417951 O\n0.088055 0.213937 0.694093 O\n0.651599 0.235106 0.931058 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.823307075566238,
"density_atomic": 0.11112559695585476,
"volume": 143.9812287924634,
"volume_molar": 5.419220166162372,
"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -105.91078701,
"energy_per_atom": -6.619424188125,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.1615000000000002,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:27.447000Z",
"spacegroup": 1
},
{
"id": "mp-1076509",
"created_at": "2022-09-04T14:39:16.256393Z",
"structure_string": "K16 Na16 V4 Mo28 O80\n1.0\n0.010072 0.000106 11.470464\n11.783200 -0.002386 0.010070\n-5.900336 15.286865 -5.740224\nK Na V Mo O\n16 16 4 28 80\ndirect\n0.303840 0.066018 0.107879 K\n0.303132 0.562307 0.107080 K\n0.803397 0.063682 0.108891 K\n0.803058 0.562595 0.107776 K\n0.200922 0.935665 0.395754 K\n0.190491 0.923128 0.878654 K\n0.698580 0.437407 0.397212 K\n0.688139 0.427786 0.879069 K\n0.698530 0.933615 0.395349 K\n0.056907 0.294737 0.108932 K\n0.051606 0.791291 0.106144 K\n0.553649 0.292319 0.106208 K\n0.552806 0.793332 0.104243 K\n0.450093 0.710663 0.397966 K\n0.437382 0.702186 0.876477 K\n0.941917 0.702095 0.878983 K\n0.297880 0.071372 0.607407 Na\n0.308077 0.568409 0.608163 Na\n0.803589 0.068925 0.606022 Na\n0.810231 0.569013 0.605169 Na\n0.201310 0.438770 0.406447 Na\n0.199443 0.431443 0.889197 Na\n0.697829 0.930994 0.893852 Na\n0.058499 0.289004 0.608224 Na\n0.057886 0.784554 0.606804 Na\n0.554376 0.289681 0.605011 Na\n0.551635 0.784158 0.605057 Na\n0.450384 0.217058 0.406388 Na\n0.442120 0.210620 0.891387 Na\n0.950110 0.218257 0.405457 Na\n0.946340 0.212692 0.893354 Na\n0.950781 0.716987 0.405066 Na\n0.105533 0.579628 0.743336 V\n0.599126 0.584782 0.743146 V\n0.349880 0.406851 0.744380 V\n0.347130 0.914770 0.744060 V\n0.003416 0.998106 0.994061 Mo\n0.012611 0.002802 0.505360 Mo\n0.002642 0.494489 0.992968 Mo\n0.014452 0.501796 0.505619 Mo\n0.500359 0.996856 0.990847 Mo\n0.513406 0.006602 0.508662 Mo\n0.500915 0.495727 0.991718 Mo\n0.513481 0.502665 0.509477 Mo\n0.253106 0.247768 0.992927 Mo\n0.261666 0.254242 0.506325 Mo\n0.251222 0.745055 0.992975 Mo\n0.262391 0.753484 0.508473 Mo\n0.752755 0.244323 0.991073 Mo\n0.765171 0.251574 0.506216 Mo\n0.751032 0.746193 0.991678 Mo\n0.765768 0.753649 0.508688 Mo\n0.098497 0.106557 0.258069 Mo\n0.094635 0.090600 0.746346 Mo\n0.097077 0.593843 0.257675 Mo\n0.598041 0.099890 0.254689 Mo\n0.588693 0.083511 0.744966 Mo\n0.599240 0.592242 0.251028 Mo\n0.346484 0.403869 0.258632 Mo\n0.348505 0.914299 0.252172 Mo\n0.854902 0.406614 0.254650 Mo\n0.852521 0.408007 0.743269 Mo\n0.851197 0.910355 0.253986 Mo\n0.837716 0.912176 0.745845 Mo\n0.126171 0.124581 0.489040 O\n0.120377 0.119329 0.981371 O\n0.128107 0.619052 0.489291 O\n0.121911 0.612710 0.981559 O\n0.628683 0.125714 0.493020 O\n0.619033 0.111850 0.974749 O\n0.632519 0.625701 0.499690 O\n0.620996 0.617976 0.983556 O\n0.131615 0.375640 0.002096 O\n0.146528 0.387160 0.521073 O\n0.132222 0.876055 0.005618 O\n0.142960 0.883126 0.520567 O\n0.628846 0.371658 0.000291 O\n0.647572 0.386799 0.526343 O\n0.630095 0.876590 0.999044 O\n0.648462 0.889705 0.527923 O\n0.381526 0.124870 0.493782 O\n0.372366 0.117738 0.980710 O\n0.378355 0.618810 0.496695 O\n0.368239 0.612731 0.980510 O\n0.881225 0.119515 0.489843 O\n0.871112 0.114377 0.979106 O\n0.883050 0.622285 0.492784 O\n0.870736 0.614861 0.982213 O\n0.381526 0.376866 0.001472 O\n0.396112 0.386088 0.523080 O\n0.379988 0.876961 0.002683 O\n0.398264 0.892842 0.529306 O\n0.883803 0.375903 0.004505 O\n0.897162 0.384833 0.521844 O\n0.877924 0.877923 0.000857 O\n0.897283 0.886943 0.524597 O\n0.073868 0.089375 0.138050 O\n0.090604 0.111398 0.640458 O\n0.076862 0.586443 0.141418 O\n0.092642 0.603335 0.644975 O\n0.573580 0.087223 0.135564 O\n0.590024 0.116299 0.645316 O\n0.575274 0.588985 0.135006 O\n0.581809 0.611430 0.646026 O\n0.448667 0.392626 0.367537 O\n0.430244 0.401803 0.850838 O\n0.444825 0.908269 0.365324 O\n0.427829 0.909415 0.849805 O\n0.953922 0.391933 0.364417 O\n0.939720 0.393211 0.853966 O\n0.944183 0.891879 0.363595 O\n0.941543 0.905296 0.855658 O\n0.325365 0.302174 0.138851 O\n0.327339 0.285900 0.644064 O\n0.329557 0.799022 0.138602 O\n0.335733 0.790816 0.646172 O\n0.831760 0.297947 0.138016 O\n0.844074 0.274096 0.641250 O\n0.830307 0.801331 0.137662 O\n0.844347 0.783073 0.645835 O\n0.206374 0.224631 0.365785 O\n0.194472 0.212513 0.854547 O\n0.203312 0.709344 0.368162 O\n0.178482 0.689044 0.851297 O\n0.709522 0.209354 0.364847 O\n0.697804 0.199597 0.853205 O\n0.701057 0.703916 0.365694 O\n0.676859 0.696886 0.850190 O\n0.441585 0.071912 0.268092 O\n0.417963 0.060714 0.745808 O\n0.440591 0.545773 0.253776 O\n0.437787 0.534633 0.735733 O\n0.942920 0.068955 0.270264 O\n0.925519 0.061581 0.747559 O\n0.937637 0.567055 0.267933 O\n0.940113 0.543198 0.732184 O\n0.188887 0.449256 0.269417 O\n0.188481 0.442507 0.744445 O\n0.186056 0.956460 0.251593 O\n0.182003 0.941057 0.733916 O\n0.692077 0.448297 0.253217 O\n0.681174 0.445594 0.733706 O\n0.687685 0.951953 0.251342 O\n0.666283 0.931210 0.746730 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"K",
"Na",
"V",
"Mo",
"O"
],
"chemical_system": "K-Mo-Na-O-V",
"density": 4.150103233700019,
"density_atomic": 0.06969996529184584,
"volume": 2065.9981593541265,
"volume_molar": 8.640091476063514,
"formula_full": "K16 Na16 V4 Mo28 O80",
"formula_reduced": "K4Na4VMo7O20",
"formula_anonymous": "AB4C4D7E20",
"energy": -1050.69378359,
"energy_per_atom": -7.2964846082638894,
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"updated_at": "2021-11-28T01:34:38.698000Z",
"spacegroup": 1
},
{
"id": "mp-1178844",
"created_at": "2022-09-04T14:39:16.377631Z",
"structure_string": "Zn4 Cl10 O4\n1.0\n6.586520 0.000000 0.000000\n-0.018330 6.614238 0.000000\n-3.272446 -3.221957 11.245603\nZn Cl O\n4 10 4\ndirect\n0.841371 0.345274 0.665105 Zn\n0.653485 0.161811 0.333657 Zn\n0.070679 0.075591 0.163440 Zn\n0.926751 0.925765 0.833994 Zn\n0.977384 0.673285 0.672715 Cl\n0.324347 0.025777 0.326064 Cl\n0.748307 0.952306 0.173121 Cl\n0.051240 0.247164 0.825769 Cl\n0.501270 0.350924 0.664464 Cl\n0.646890 0.501507 0.337568 Cl\n0.063929 0.410389 0.157536 Cl\n0.589863 0.921079 0.839313 Cl\n0.893844 0.107849 0.499436 Cl\n0.147318 0.854137 0.000326 Cl\n0.343143 0.784282 0.536511 O\n0.225110 0.643998 0.461197 O\n0.511856 0.436564 0.034278 O\n0.558365 0.503994 0.959960 O\n",
"nsites": 18,
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"elements": [
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"Cl",
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],
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"density": 2.30538733568931,
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"volume": 489.91256783389684,
"volume_molar": 16.39068024215986,
"formula_full": "Zn4 Cl10 O4",
"formula_reduced": "Zn2Cl5O2",
"formula_anonymous": "A2B2C5",
"energy": -55.50501031,
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"updated_at": "2021-11-28T01:34:29.932000Z",
"spacegroup": 1
},
{
"id": "mp-1074207",
"created_at": "2022-09-04T14:39:16.339858Z",
"structure_string": "Mg8 Si14\n1.0\n3.932494 0.000000 0.000000\n0.010701 7.010046 0.000000\n0.048325 2.784824 14.583701\nMg Si\n8 14\ndirect\n0.268787 0.300647 0.927125 Mg\n0.275997 0.843643 0.509214 Mg\n0.775024 0.752742 0.335259 Mg\n0.776183 0.957266 0.657796 Mg\n0.274582 0.883521 0.844264 Mg\n0.755007 0.227946 0.093826 Mg\n0.777703 0.195303 0.427951 Mg\n0.775200 0.504057 0.578898 Mg\n0.773879 0.662388 0.956550 Si\n0.771009 0.010353 0.957557 Si\n0.270649 0.546880 0.052262 Si\n0.747844 0.811114 0.134593 Si\n0.276427 0.201758 0.556323 Si\n0.275750 0.505924 0.443809 Si\n0.251485 0.970383 0.184934 Si\n0.773349 0.205380 0.798724 Si\n0.276388 0.645248 0.700357 Si\n0.787362 0.478242 0.204709 Si\n0.274617 0.043589 0.333260 Si\n0.775806 0.571976 0.804458 Si\n0.275129 0.283709 0.702808 Si\n0.284564 0.397960 0.298912 Si\n",
"nsites": 22,
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"elements": [
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"Si"
],
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"density": 2.4271775260545576,
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"volume": 402.0283580434282,
"volume_molar": 11.004869825678195,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
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"energy": -85.32933223,
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"updated_at": "2021-11-28T01:34:41.960000Z",
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},
{
"id": "mp-675493",
"created_at": "2022-09-04T14:39:16.305469Z",
"structure_string": "Sb8 Cl27 F13\n1.0\n9.765885 0.000000 0.000000\n4.311854 8.917170 0.000000\n2.965850 1.238160 17.431505\nSb Cl F\n8 27 13\ndirect\n0.868303 0.225306 0.084519 Sb\n0.399784 0.260360 0.594157 Sb\n0.348381 0.189647 0.346699 Sb\n0.208702 0.723219 0.188685 Sb\n0.849916 0.239038 0.852727 Sb\n0.658768 0.723090 0.694053 Sb\n0.695906 0.753570 0.393818 Sb\n0.158604 0.741840 0.907567 Sb\n0.765276 0.839119 0.159470 Cl\n0.811739 0.629428 0.209085 Cl\n0.716420 0.456527 0.016706 Cl\n0.216847 0.924850 0.684968 Cl\n0.404544 0.788581 0.122632 Cl\n0.337555 0.693261 0.517549 Cl\n0.666847 0.142219 0.085682 Cl\n0.253656 0.714352 0.724521 Cl\n0.236239 0.554389 0.524656 Cl\n0.315843 0.115360 0.233449 Cl\n0.336517 0.599415 0.301385 Cl\n0.283032 0.495282 0.130246 Cl\n0.086342 0.926144 0.365737 Cl\n0.882483 0.763608 0.663483 Cl\n0.956913 0.676563 0.908194 Cl\n0.155876 0.272092 0.586629 Cl\n0.080445 0.284517 0.068147 Cl\n0.969080 0.141852 0.391021 Cl\n0.807177 0.168300 0.739332 Cl\n0.723732 0.557606 0.815341 Cl\n0.727982 0.520660 0.619926 Cl\n0.509704 0.025814 0.853045 Cl\n0.727688 0.498896 0.415890 Cl\n0.769569 0.312097 0.208217 Cl\n0.585277 0.074402 0.940611 Cl\n0.339570 0.491627 0.905912 Cl\n0.324455 0.361121 0.714412 Cl\n0.359934 0.006301 0.407563 F\n0.030203 0.937828 0.861544 F\n0.453867 0.209742 0.489377 F\n0.124759 0.791802 0.009459 F\n0.903802 0.704776 0.410666 F\n0.943330 0.139571 0.979749 F\n0.616874 0.802665 0.500312 F\n0.992435 0.026291 0.127412 F\n0.321461 0.802582 0.876989 F\n0.572454 0.305932 0.580204 F\n0.570214 0.103329 0.328620 F\n0.496968 0.056893 0.633936 F\n0.046076 0.234230 0.810547 F\n",
"nsites": 48,
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"elements": [
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"Cl",
"F"
],
"chemical_system": "Cl-F-Sb",
"density": 2.382820382865547,
"density_atomic": 0.03162042482456086,
"volume": 1518.0061705785959,
"volume_molar": 19.045097570360156,
"formula_full": "Sb8 Cl27 F13",
"formula_reduced": "Sb8Cl27F13",
"formula_anonymous": "A8B13C27",
"energy": -182.4320661,
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"spacegroup": 1
},
{
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