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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10403",
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"results": [
{
"id": "mp-10341",
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"structure_string": "Sr1 Ge1 Te1 O6\n1.0\n2.574614 -4.459362 0.000000\n2.574614 4.459362 0.000000\n0.000000 0.000000 5.493720\nSr Ge Te O\n1 1 1 6\ndirect\n0.333333 0.666667 0.000000 Sr\n0.000000 0.000000 0.500000 Ge\n0.666667 0.333333 0.500000 Te\n0.715906 0.045543 0.699434 O\n0.954457 0.670363 0.699434 O\n0.329637 0.284094 0.699434 O\n0.715906 0.670363 0.300566 O\n0.329637 0.045543 0.300566 O\n0.954457 0.284094 0.300566 O\n",
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{
"id": "mp-24479",
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"structure_string": "Sr2 H4 Br4 O14\n1.0\n3.896260 6.538074 0.000000\n-3.896260 6.538074 0.000000\n0.000000 6.145223 6.582520\nSr H Br O\n2 4 4 14\ndirect\n0.648566 0.351434 0.750000 Sr\n0.351434 0.648566 0.250000 Sr\n0.285206 0.782576 0.634733 H\n0.217424 0.714794 0.865267 H\n0.714794 0.217424 0.365267 H\n0.782576 0.285206 0.134733 H\n0.213897 0.170192 0.804536 Br\n0.829808 0.786103 0.695464 Br\n0.786103 0.829808 0.195464 Br\n0.170192 0.213897 0.304536 Br\n0.324116 0.675884 0.750000 O\n0.675884 0.324116 0.250000 O\n0.099128 0.276901 0.487058 O\n0.723099 0.900872 0.012942 O\n0.900872 0.723099 0.512942 O\n0.276901 0.099128 0.987058 O\n0.255193 0.933159 0.399768 O\n0.066841 0.744807 0.100232 O\n0.744807 0.066841 0.600232 O\n0.933159 0.255193 0.899768 O\n0.404012 0.310399 0.121918 O\n0.689601 0.595988 0.378082 O\n0.595988 0.689601 0.878082 O\n0.310399 0.404012 0.621918 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.5792742623427585,
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"volume": 335.36670557710266,
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"formula_full": "Sr2 H4 Br4 O14",
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"updated_at": "2021-11-28T01:34:29.007000Z",
"spacegroup": 15
},
{
"id": "mp-643356",
"created_at": "2022-09-04T14:42:50.583928Z",
"structure_string": "Sr4 H8 Br8 O4\n1.0\n4.336146 0.000000 0.000000\n0.000000 9.351804 0.000000\n0.000000 0.000000 11.591264\nSr H Br O\n4 8 8 4\ndirect\n0.250000 0.386996 0.688744 Sr\n0.250000 0.113004 0.188744 Sr\n0.750000 0.613004 0.311256 Sr\n0.750000 0.886996 0.811256 Sr\n0.750000 0.306061 0.878654 H\n0.750000 0.193939 0.378654 H\n0.250000 0.693939 0.121346 H\n0.250000 0.806061 0.621346 H\n0.750000 0.472598 0.877879 H\n0.750000 0.027402 0.377879 H\n0.250000 0.527402 0.122121 H\n0.250000 0.972598 0.622121 H\n0.750000 0.613185 0.600552 Br\n0.750000 0.886815 0.100552 Br\n0.250000 0.386815 0.399448 Br\n0.250000 0.113185 0.899448 Br\n0.750000 0.153831 0.615904 Br\n0.750000 0.346169 0.115904 Br\n0.250000 0.846169 0.384096 Br\n0.250000 0.653831 0.884096 Br\n0.750000 0.389126 0.826468 O\n0.750000 0.110874 0.326468 O\n0.250000 0.610874 0.173532 O\n0.250000 0.889126 0.673532 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Br-H-O-Sr",
"density": 3.7510316954558625,
"density_atomic": 0.05106004011040631,
"volume": 470.03488340598994,
"volume_molar": 11.794234291587749,
"formula_full": "Sr4 H8 Br8 O4",
"formula_reduced": "SrH2Br2O",
"formula_anonymous": "ABC2D2",
"energy": -112.11915291999998,
"energy_per_atom": -4.671631371666666,
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"updated_at": "2021-11-28T01:35:53.040000Z",
"spacegroup": 62
},
{
"id": "mp-1080045",
"created_at": "2022-09-04T14:45:26.624147Z",
"structure_string": "Sr2 H2 Br2 O2\n1.0\n2.169289 5.541079 0.000000\n-2.169289 5.541079 0.000000\n0.000000 2.148177 7.119824\nSr H Br O\n2 2 2 2\ndirect\n0.301657 0.301657 0.276204 Sr\n0.698343 0.698343 0.723796 Sr\n0.056050 0.056050 0.618969 H\n0.943950 0.943950 0.381031 H\n0.388099 0.388099 0.826575 Br\n0.611901 0.611901 0.173425 Br\n0.147000 0.147000 0.595983 O\n0.853000 0.853000 0.404017 O\n",
"nsites": 8,
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"elements": [
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"O"
],
"chemical_system": "Br-H-O-Sr",
"density": 3.5804549912779526,
"density_atomic": 0.046738952743250586,
"volume": 171.163441422107,
"volume_molar": 12.884629215124288,
"formula_full": "Sr2 H2 Br2 O2",
"formula_reduced": "SrHBrO",
"formula_anonymous": "ABCD",
"energy": -41.91450478,
"energy_per_atom": -5.2393130975,
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"updated_at": "2021-11-28T01:36:58.879000Z",
"spacegroup": 12
},
{
"id": "mp-1179412",
"created_at": "2022-09-04T14:44:25.411762Z",
"structure_string": "Sr4 H24 C8 O24\n1.0\n7.547001 0.000000 0.000000\n0.000000 8.137052 0.000000\n0.000000 0.000000 11.658131\nSr H C O\n4 24 8 24\ndirect\n0.463707 0.235317 0.538043 Sr\n0.536293 0.735317 0.961957 Sr\n0.036293 0.764683 0.038043 Sr\n0.963707 0.264683 0.461957 Sr\n0.286104 0.350989 0.169616 H\n0.502285 0.621429 0.506803 H\n0.274534 0.183476 0.961057 H\n0.568680 0.365070 0.270866 H\n0.213896 0.649011 0.669615 H\n0.786104 0.149011 0.830385 H\n0.859670 0.643062 0.726271 H\n0.628220 0.603372 0.310812 H\n0.359670 0.856938 0.273729 H\n0.725466 0.683476 0.538943 H\n0.225466 0.816524 0.461057 H\n0.140330 0.143062 0.773729 H\n0.871780 0.396628 0.810812 H\n0.640330 0.356938 0.226271 H\n0.713896 0.850989 0.330384 H\n0.128220 0.896628 0.689188 H\n0.774534 0.316524 0.038943 H\n0.931320 0.634930 0.770866 H\n0.431320 0.865070 0.229134 H\n0.371780 0.103372 0.189188 H\n0.497715 0.121429 0.993197 H\n0.997715 0.378571 0.006803 H\n0.068680 0.134930 0.729134 H\n0.002285 0.878571 0.493197 H\n0.356003 0.103719 0.017018 C\n0.643997 0.603719 0.482982 C\n0.856003 0.396281 0.982982 C\n0.175710 0.551005 0.253350 C\n0.143997 0.896281 0.517018 C\n0.675710 0.948995 0.746650 C\n0.324290 0.448995 0.753350 C\n0.824290 0.051005 0.246650 C\n0.318312 0.508686 0.861136 O\n0.193764 0.056461 0.518020 O\n0.262012 0.327495 0.374354 O\n0.098051 0.684786 0.241609 O\n0.598051 0.815214 0.758391 O\n0.165879 0.817441 0.631578 O\n0.181688 0.491314 0.361136 O\n0.693764 0.443539 0.481980 O\n0.818312 0.991314 0.138864 O\n0.681688 0.008686 0.638864 O\n0.247605 0.523088 0.666488 O\n0.737988 0.827495 0.125646 O\n0.306236 0.943539 0.018020 O\n0.665879 0.682559 0.368422 O\n0.752395 0.023089 0.833512 O\n0.762012 0.172505 0.625646 O\n0.237988 0.672505 0.874354 O\n0.901949 0.184786 0.258391 O\n0.747605 0.976912 0.333512 O\n0.334121 0.182559 0.131578 O\n0.834121 0.317441 0.868422 O\n0.806236 0.556461 0.981980 O\n0.401949 0.315214 0.741609 O\n0.252395 0.476911 0.166488 O\n",
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"elements": [
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],
"chemical_system": "C-H-O-Sr",
"density": 1.9825017995710246,
"density_atomic": 0.08380710144380343,
"volume": 715.9297835903893,
"volume_molar": 7.185716551762771,
"formula_full": "Sr4 H24 C8 O24",
"formula_reduced": "SrH6(CO3)2",
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"energy": -352.11686538,
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"updated_at": "2021-11-28T01:36:40.903000Z",
"spacegroup": 19
},
{
"id": "mp-690824",
"created_at": "2022-09-04T14:47:17.652251Z",
"structure_string": "Sr2 H12 C8 O14\n1.0\n3.371614 6.628782 0.000000\n-3.371614 6.628782 0.000000\n0.000000 1.158167 8.490536\nSr H C O\n2 12 8 14\ndirect\n0.013754 0.986246 0.250000 Sr\n0.986246 0.013754 0.750000 Sr\n0.487376 0.884363 0.645927 H\n0.115637 0.512624 0.854073 H\n0.512624 0.115637 0.354073 H\n0.884363 0.487376 0.145927 H\n0.407410 0.854556 0.492643 H\n0.145444 0.592590 0.007357 H\n0.592590 0.145444 0.507357 H\n0.854556 0.407410 0.992643 H\n0.553011 0.534904 0.681003 H\n0.465096 0.446989 0.818997 H\n0.446989 0.465096 0.318997 H\n0.534904 0.553011 0.181003 H\n0.028463 0.617024 0.517887 C\n0.382976 0.971537 0.982113 C\n0.971537 0.382976 0.482113 C\n0.617024 0.028463 0.017887 C\n0.983479 0.550825 0.380529 C\n0.449175 0.016521 0.119471 C\n0.016521 0.449175 0.619471 C\n0.550825 0.983479 0.880529 C\n0.167556 0.596629 0.892284 O\n0.403371 0.832444 0.607716 O\n0.832444 0.403371 0.107716 O\n0.596629 0.167556 0.392284 O\n0.399434 0.600566 0.250000 O\n0.600566 0.399434 0.750000 O\n0.061363 0.762492 0.532733 O\n0.237508 0.938637 0.967267 O\n0.938637 0.237508 0.467267 O\n0.762492 0.061363 0.032733 O\n0.619685 0.962734 0.737001 O\n0.037266 0.380315 0.762999 O\n0.380315 0.037266 0.262999 O\n0.962734 0.619685 0.237001 O\n",
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"elements": [
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],
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"density": 2.220105197548022,
"density_atomic": 0.09485621958400313,
"volume": 379.5217662888092,
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"formula_full": "Sr2 H12 C8 O14",
"formula_reduced": "SrH6C4O7",
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"energy": -236.62479441,
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"updated_at": "2021-11-28T01:38:03.490000Z",
"spacegroup": 15
},
{
"id": "mp-1197098",
"created_at": "2022-09-04T14:44:22.855808Z",
"structure_string": "Sr4 H8 C8 O16\n1.0\n7.222138 0.000000 0.000000\n0.000000 7.222138 0.000000\n0.000000 0.000000 10.543950\nSr H C O\n4 8 8 16\ndirect\n0.766230 0.233770 0.250000 Sr\n0.233770 0.766230 0.750000 Sr\n0.733770 0.733770 0.000000 Sr\n0.266230 0.266230 0.500000 Sr\n0.802018 0.144908 0.633852 H\n0.197982 0.855092 0.133852 H\n0.644908 0.697982 0.383852 H\n0.355092 0.302018 0.883852 H\n0.855092 0.197982 0.866148 H\n0.144908 0.802018 0.366148 H\n0.697982 0.644908 0.616148 H\n0.302018 0.355092 0.116148 H\n0.776403 0.227037 0.546195 C\n0.223597 0.772963 0.046195 C\n0.727037 0.723597 0.296195 C\n0.272963 0.276403 0.796195 C\n0.772963 0.223597 0.953805 C\n0.227037 0.776403 0.453805 C\n0.723597 0.727037 0.703805 C\n0.276403 0.272963 0.203805 C\n0.915937 0.264636 0.476707 O\n0.084063 0.735364 0.976707 O\n0.764636 0.584063 0.226707 O\n0.235364 0.415937 0.726707 O\n0.735364 0.084063 0.023293 O\n0.264636 0.915937 0.523293 O\n0.584063 0.764636 0.773293 O\n0.415937 0.235364 0.273293 O\n0.612545 0.272347 0.519530 O\n0.387455 0.727653 0.019530 O\n0.772347 0.887455 0.269530 O\n0.227653 0.112545 0.769530 O\n0.727653 0.387455 0.980470 O\n0.272347 0.612545 0.480470 O\n0.887455 0.772347 0.730470 O\n0.112545 0.227653 0.230470 O\n",
"nsites": 36,
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"elements": [
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],
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"density_atomic": 0.06545873340994092,
"volume": 549.9648117929034,
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"formula_full": "Sr4 H8 C8 O16",
"formula_reduced": "SrH2(CO2)2",
"formula_anonymous": "AB2C2D4",
"energy": -251.07987319,
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"spacegroup": 92
},
{
"id": "mp-655027",
"created_at": "2022-09-04T14:44:12.018011Z",
"structure_string": "Sr4 H24 C8 O24\n1.0\n7.620061 0.000000 0.000000\n0.000000 8.048821 0.000000\n0.000000 0.000000 11.449251\nSr H C O\n4 24 8 24\ndirect\n0.373218 0.234623 0.545770 Sr\n0.626782 0.734623 0.954230 Sr\n0.126782 0.765377 0.045770 Sr\n0.873218 0.265377 0.454230 Sr\n0.315200 0.363386 0.158355 H\n0.457609 0.670640 0.548432 H\n0.309376 0.160805 0.932092 H\n0.553873 0.312915 0.293343 H\n0.184800 0.636614 0.658354 H\n0.815200 0.136614 0.841646 H\n0.853390 0.675557 0.770956 H\n0.594073 0.618348 0.339865 H\n0.353390 0.824443 0.229044 H\n0.690624 0.660805 0.567908 H\n0.190624 0.839195 0.432092 H\n0.146610 0.175557 0.729044 H\n0.905927 0.381652 0.839865 H\n0.646610 0.324443 0.270956 H\n0.684800 0.863386 0.341645 H\n0.094073 0.881652 0.660135 H\n0.809376 0.339195 0.067908 H\n0.946127 0.687085 0.793343 H\n0.446127 0.812915 0.206657 H\n0.405927 0.118348 0.160135 H\n0.542391 0.170640 0.951568 H\n0.042391 0.329360 0.048432 H\n0.053873 0.187085 0.706657 H\n0.957609 0.829360 0.451568 H\n0.419420 0.118172 0.987735 C\n0.580580 0.618172 0.512265 C\n0.919420 0.381828 0.012265 C\n0.177912 0.530270 0.259099 C\n0.080580 0.881828 0.487735 C\n0.677912 0.969730 0.740901 C\n0.322088 0.469730 0.759099 C\n0.822088 0.030270 0.240901 C\n0.341035 0.570507 0.851768 O\n0.076773 0.048391 0.506219 O\n0.258429 0.273145 0.344346 O\n0.100848 0.666112 0.260951 O\n0.600848 0.833888 0.739049 O\n0.106647 0.793540 0.602419 O\n0.158965 0.429493 0.351768 O\n0.576773 0.451609 0.493781 O\n0.841035 0.929493 0.148232 O\n0.658965 0.070507 0.648232 O\n0.223060 0.511804 0.668982 O\n0.741571 0.773145 0.155654 O\n0.423227 0.951609 0.006219 O\n0.606647 0.706460 0.397581 O\n0.776940 0.011804 0.831018 O\n0.758429 0.226855 0.655654 O\n0.241571 0.726855 0.844346 O\n0.899152 0.166112 0.239049 O\n0.723060 0.988196 0.331018 O\n0.393353 0.206460 0.102419 O\n0.893353 0.293540 0.897581 O\n0.923227 0.548391 0.993781 O\n0.399152 0.333888 0.760951 O\n0.276940 0.488196 0.168982 O\n",
"nsites": 60,
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"elements": [
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],
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"formula_full": "Sr4 H24 C8 O24",
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}