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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=11557",
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"results": [
{
"id": "mp-1207822",
"created_at": "2022-09-04T14:47:22.511728Z",
"structure_string": "Y16 Mg4 Ir4\n1.0\n0.000000 6.891985 6.891985\n6.891985 0.000000 6.891985\n6.891985 6.891985 0.000000\nY Mg Ir\n16 4 4\ndirect\n0.597369 0.597369 0.597369 Y\n0.597369 0.597369 0.207893 Y\n0.597369 0.207893 0.597369 Y\n0.207893 0.597369 0.597369 Y\n0.062779 0.437221 0.437221 Y\n0.437221 0.062779 0.062779 Y\n0.437221 0.062779 0.437221 Y\n0.062779 0.437221 0.062779 Y\n0.437221 0.437221 0.062779 Y\n0.062779 0.062779 0.437221 Y\n0.186593 0.813407 0.813407 Y\n0.813407 0.186593 0.186593 Y\n0.813407 0.186593 0.813407 Y\n0.186593 0.813407 0.186593 Y\n0.813407 0.813407 0.186593 Y\n0.186593 0.186593 0.813407 Y\n0.829304 0.829304 0.829304 Mg\n0.829304 0.829304 0.512089 Mg\n0.829304 0.512089 0.829304 Mg\n0.512089 0.829304 0.829304 Mg\n0.391516 0.391516 0.391516 Ir\n0.391516 0.391516 0.825452 Ir\n0.391516 0.825452 0.391516 Ir\n0.825452 0.391516 0.391516 Ir\n",
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},
{
"id": "mp-1207825",
"created_at": "2022-09-04T14:39:23.650551Z",
"structure_string": "Y16 Mg4 Ni4\n1.0\n0.000000 6.832890 6.832890\n6.832890 0.000000 6.832890\n6.832890 6.832890 0.000000\nY Mg Ni\n16 4 4\ndirect\n0.061766 0.438234 0.438234 Y\n0.438234 0.061766 0.061766 Y\n0.438234 0.061766 0.438234 Y\n0.061766 0.438234 0.061766 Y\n0.438234 0.438234 0.061766 Y\n0.061766 0.061766 0.438234 Y\n0.184055 0.815945 0.815945 Y\n0.815945 0.184055 0.184055 Y\n0.815945 0.184055 0.815945 Y\n0.184055 0.815945 0.184055 Y\n0.815945 0.815945 0.184055 Y\n0.184055 0.184055 0.815945 Y\n0.596286 0.596286 0.596286 Y\n0.596286 0.596286 0.211142 Y\n0.596286 0.211142 0.596286 Y\n0.211142 0.596286 0.596286 Y\n0.829927 0.829927 0.829927 Mg\n0.829927 0.829927 0.510219 Mg\n0.829927 0.510219 0.829927 Mg\n0.510219 0.829927 0.829927 Mg\n0.391283 0.391283 0.391283 Ni\n0.391283 0.391283 0.826150 Ni\n0.391283 0.826150 0.391283 Ni\n0.826150 0.391283 0.391283 Ni\n",
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],
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"formula_full": "Y16 Mg4 Ni4",
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"energy": -137.85218735,
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"updated_at": "2021-11-28T01:34:42.863000Z",
"spacegroup": 216
},
{
"id": "mp-1207787",
"created_at": "2022-09-04T14:42:46.147357Z",
"structure_string": "Y16 Mg4 Pd4\n1.0\n0.000000 6.937198 6.937198\n6.937198 0.000000 6.937198\n6.937198 6.937198 0.000000\nY Mg Pd\n16 4 4\ndirect\n0.350810 0.350810 0.350810 Y\n0.350810 0.350810 0.947570 Y\n0.350810 0.947570 0.350810 Y\n0.947570 0.350810 0.350810 Y\n0.811454 0.188546 0.188546 Y\n0.188546 0.811454 0.811454 Y\n0.188546 0.811454 0.188546 Y\n0.811454 0.188546 0.811454 Y\n0.188546 0.188546 0.811454 Y\n0.811454 0.811454 0.188546 Y\n0.932854 0.567146 0.567146 Y\n0.567146 0.932854 0.932854 Y\n0.567146 0.932854 0.567146 Y\n0.932854 0.567146 0.932854 Y\n0.567146 0.567146 0.932854 Y\n0.932854 0.932854 0.567146 Y\n0.580257 0.580257 0.580257 Mg\n0.580257 0.580257 0.259228 Mg\n0.580257 0.259228 0.580257 Mg\n0.259228 0.580257 0.580257 Mg\n0.143398 0.143398 0.143398 Pd\n0.143398 0.143398 0.569805 Pd\n0.143398 0.569805 0.143398 Pd\n0.569805 0.143398 0.143398 Pd\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Mg-Pd-Y",
"density": 4.838094132225401,
"density_atomic": 0.03594421268924921,
"volume": 667.7013684369366,
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"formula_full": "Y16 Mg4 Pd4",
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"formula_anonymous": "ABC4",
"energy": -139.37174486,
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"updated_at": "2021-11-28T01:36:00.114000Z",
"spacegroup": 216
},
{
"id": "mp-1207810",
"created_at": "2022-09-04T14:39:19.986006Z",
"structure_string": "Y16 Mg4 Pt4\n1.0\n0.000000 6.934568 6.934568\n6.934568 0.000000 6.934568\n6.934568 6.934568 0.000000\nY Mg Pt\n16 4 4\ndirect\n0.599773 0.599773 0.599773 Y\n0.599773 0.599773 0.200682 Y\n0.599773 0.200682 0.599773 Y\n0.200682 0.599773 0.599773 Y\n0.061573 0.438427 0.438427 Y\n0.438427 0.061573 0.061573 Y\n0.438427 0.061573 0.438427 Y\n0.061573 0.438427 0.061573 Y\n0.438427 0.438427 0.061573 Y\n0.061573 0.061573 0.438427 Y\n0.184391 0.815609 0.815609 Y\n0.815609 0.184391 0.184391 Y\n0.815609 0.184391 0.815609 Y\n0.184391 0.815609 0.184391 Y\n0.815609 0.815609 0.184391 Y\n0.184391 0.184391 0.815609 Y\n0.830154 0.830154 0.830154 Mg\n0.830154 0.830154 0.509537 Mg\n0.830154 0.509537 0.830154 Mg\n0.509537 0.830154 0.830154 Mg\n0.392479 0.392479 0.392479 Pt\n0.392479 0.392479 0.822564 Pt\n0.392479 0.822564 0.392479 Pt\n0.822564 0.392479 0.392479 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Pt"
],
"chemical_system": "Mg-Pt-Y",
"density": 5.726616098686526,
"density_atomic": 0.0359851247416822,
"volume": 666.9422482840632,
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"formula_full": "Y16 Mg4 Pt4",
"formula_reduced": "Y4MgPt",
"formula_anonymous": "ABC4",
"energy": -146.53650838,
"energy_per_atom": -6.105687849166666,
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"band_gap": 0.0146000000000001,
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"updated_at": "2021-11-28T01:34:25.772000Z",
"spacegroup": 216
},
{
"id": "mp-1207807",
"created_at": "2022-09-04T14:43:10.460776Z",
"structure_string": "Y16 Mg4 Rh4\n1.0\n0.000000 6.900694 6.900694\n6.900694 0.000000 6.900694\n6.900694 6.900694 0.000000\nY Mg Rh\n16 4 4\ndirect\n0.597934 0.597934 0.597934 Y\n0.597934 0.597934 0.206199 Y\n0.597934 0.206199 0.597934 Y\n0.206199 0.597934 0.597934 Y\n0.062884 0.437116 0.437116 Y\n0.437116 0.062884 0.062884 Y\n0.437116 0.062884 0.437116 Y\n0.062884 0.437116 0.062884 Y\n0.437116 0.437116 0.062884 Y\n0.062884 0.062884 0.437116 Y\n0.185525 0.814475 0.814475 Y\n0.814475 0.185525 0.185525 Y\n0.814475 0.185525 0.814475 Y\n0.185525 0.814475 0.185525 Y\n0.814475 0.814475 0.185525 Y\n0.185525 0.185525 0.814475 Y\n0.829700 0.829700 0.829700 Mg\n0.829700 0.829700 0.510899 Mg\n0.829700 0.510899 0.829700 Mg\n0.510899 0.829700 0.829700 Mg\n0.392233 0.392233 0.392233 Rh\n0.392233 0.392233 0.823302 Rh\n0.392233 0.823302 0.392233 Rh\n0.823302 0.392233 0.392233 Rh\n",
"nsites": 24,
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"elements": [
"Y",
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh-Y",
"density": 4.879760850063134,
"density_atomic": 0.0365176596643767,
"volume": 657.2162679803988,
"volume_molar": 16.491036981416013,
"formula_full": "Y16 Mg4 Rh4",
"formula_reduced": "Y4MgRh",
"formula_anonymous": "ABC4",
"energy": -148.76078525,
"energy_per_atom": -6.198366052083333,
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"updated_at": "2021-11-28T01:36:02.641000Z",
"spacegroup": 216
},
{
"id": "mp-1216098",
"created_at": "2022-09-04T14:40:06.300848Z",
"structure_string": "Y4 Mg1 S7\n1.0\n1.905420 6.308561 0.000000\n-1.905420 6.308561 0.000000\n0.000000 2.955701 11.112922\nY Mg S\n4 1 7\ndirect\n0.692432 0.692432 0.204331 Y\n0.306747 0.306747 0.801689 Y\n0.999793 0.999793 0.005272 Y\n0.113597 0.113597 0.567938 Y\n0.885639 0.885639 0.421610 Mg\n0.743702 0.743702 0.640483 S\n0.267136 0.267136 0.352857 S\n0.338880 0.338880 0.050703 S\n0.659839 0.659839 0.948464 S\n0.035264 0.035264 0.223973 S\n0.962319 0.962319 0.784874 S\n0.494650 0.494650 0.497806 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mg",
"S"
],
"chemical_system": "Mg-S-Y",
"density": 3.7564908642924153,
"density_atomic": 0.044916091519867765,
"volume": 267.1648309980852,
"volume_molar": 13.407535153267336,
"formula_full": "Y4 Mg1 S7",
"formula_reduced": "Y4MgS7",
"formula_anonymous": "AB4C7",
"energy": -83.2759417,
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"updated_at": "2021-11-28T01:34:47.315000Z",
"spacegroup": 8
},
{
"id": "mp-1234195",
"created_at": "2022-09-04T14:48:24.600349Z",
"structure_string": "Y4 Mg1 W4 O20\n1.0\n4.810269 -0.013936 -2.330757\n-4.663393 -0.079797 -4.574815\n0.040948 12.770549 0.171038\nY Mg W O\n4 1 4 20\ndirect\n0.140036 0.791550 0.450192 Y\n0.824586 0.216556 0.558098 Y\n0.351866 0.719026 0.951718 Y\n0.664098 0.291589 0.061765 Y\n0.715799 0.469248 0.806223 Mg\n0.956804 0.849432 0.138174 W\n0.050786 0.145079 0.866311 W\n0.533204 0.699482 0.639745 W\n0.465154 0.356210 0.361169 W\n0.071061 0.571399 0.092867 O\n0.968815 0.438367 0.912724 O\n0.436963 0.947911 0.617965 O\n0.513694 0.078447 0.416822 O\n0.840663 0.851820 0.562653 O\n0.144901 0.170571 0.426891 O\n0.648321 0.656582 0.069435 O\n0.403445 0.328699 0.906715 O\n0.261675 0.988422 0.058164 O\n0.743304 0.031743 0.945696 O\n0.223122 0.529916 0.572313 O\n0.794783 0.471195 0.429682 O\n0.015839 0.792633 0.271680 O\n0.960724 0.199166 0.736060 O\n0.534486 0.702618 0.786766 O\n0.493526 0.307858 0.223502 O\n0.118043 0.891038 0.847062 O\n0.845042 0.080666 0.156336 O\n0.371542 0.597966 0.366444 O\n0.670219 0.454810 0.652246 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
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"W",
"O"
],
"chemical_system": "Mg-O-W-Y",
"density": 5.677924247845897,
"density_atomic": 0.06908805249301708,
"volume": 419.7541970506566,
"volume_molar": 8.716616755999418,
"formula_full": "Y4 Mg1 W4 O20",
"formula_reduced": "Y4Mg(WO5)4",
"formula_anonymous": "AB4C4D20",
"energy": -258.23223208,
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"updated_at": "2021-11-28T01:39:36.295000Z",
"spacegroup": 1
},
{
"id": "mp-1044607",
"created_at": "2022-09-04T14:44:27.824125Z",
"structure_string": "Y4 Mn13 Si2 Sb2 O28\n1.0\n5.657853 -0.012109 1.377281\n1.720757 9.337320 0.418881\n-0.064528 -0.006054 12.574912\nY Mn Si Sb O\n4 13 2 2 28\ndirect\n0.070476 0.654425 0.415485 Y\n0.514039 0.345575 0.415485 Y\n0.929524 0.345575 0.584515 Y\n0.485961 0.654425 0.584515 Y\n0.923084 0.647556 0.736820 Mn\n0.664280 0.328114 0.126286 Mn\n0.340095 0.352444 0.736820 Mn\n0.076916 0.352444 0.263180 Mn\n0.335720 0.671886 0.873714 Mn\n0.290705 0.000000 0.418590 Mn\n0.209435 0.671886 0.126286 Mn\n0.000000 0.000000 0.000000 Mn\n0.427899 0.000000 0.144204 Mn\n0.790565 0.328114 0.873714 Mn\n0.659905 0.647556 0.263180 Mn\n0.572101 0.000000 0.855796 Mn\n0.709295 0.000000 0.581410 Mn\n0.245698 0.294652 0.000000 Si\n0.754302 0.705348 0.000000 Si\n0.859388 0.000000 0.281224 Sb\n0.140612 0.000000 0.718776 Sb\n0.714975 0.404330 0.263525 O\n0.136277 0.388758 0.421206 O\n0.959791 0.340915 0.000000 O\n0.309055 0.116687 0.000000 O\n0.863723 0.611242 0.578794 O\n0.285025 0.595670 0.736475 O\n0.011307 0.108321 0.590817 O\n0.988693 0.891679 0.409183 O\n0.690945 0.883313 0.000000 O\n0.114931 0.893912 0.156277 O\n0.310519 0.357354 0.108296 O\n0.021500 0.595670 0.263525 O\n0.397875 0.891679 0.590817 O\n0.728791 0.106088 0.156277 O\n0.581184 0.642646 0.108296 O\n0.040209 0.659085 0.000000 O\n0.271209 0.893912 0.843723 O\n0.885069 0.106088 0.843723 O\n0.602125 0.108321 0.409183 O\n0.113102 0.120178 0.286724 O\n0.886898 0.879822 0.713276 O\n0.418816 0.357354 0.891704 O\n0.399824 0.120178 0.713276 O\n0.557483 0.388758 0.578794 O\n0.689481 0.642646 0.891704 O\n0.600176 0.879822 0.286724 O\n0.978500 0.404330 0.736475 O\n0.442517 0.611242 0.421206 O\n",
"nsites": 49,
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"elements": [
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"Sb",
"O"
],
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"density": 4.535543892073148,
"density_atomic": 0.07363830858961448,
"volume": 665.4145232079743,
"volume_molar": 8.177999841850426,
"formula_full": "Y4 Mn13 Si2 Sb2 O28",
"formula_reduced": "Y4Mn13Si2(SbO14)2",
"formula_anonymous": "A2B2C4D13E28",
"energy": -425.51598822,
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"updated_at": "2021-11-28T01:36:42.653000Z",
"spacegroup": 12
},
{
"id": "mp-1216205",
"created_at": "2022-09-04T14:40:43.604609Z",
"structure_string": "Y4 Mn3 Ni1 O12\n1.0\n5.303665 0.000000 0.000000\n-0.073069 5.694075 0.000000\n-0.067633 -0.004137 7.637208\nY Mn Ni O\n4 3 1 12\ndirect\n0.481720 0.426689 0.248072 Y\n0.020344 0.921209 0.245593 Y\n0.518280 0.573311 0.751928 Y\n0.979656 0.078791 0.754407 Y\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.200984 0.184865 0.053454 O\n0.305594 0.685477 0.444620 O\n0.796919 0.822338 0.559095 O\n0.679598 0.295152 0.942718 O\n0.799016 0.815135 0.946546 O\n0.694406 0.314523 0.555380 O\n0.203081 0.177662 0.440905 O\n0.320402 0.704848 0.057282 O\n0.614782 0.039693 0.241348 O\n0.891933 0.535101 0.255168 O\n0.385218 0.960307 0.758652 O\n0.108067 0.464899 0.744832 O\n",
"nsites": 20,
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"elements": [
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"Ni",
"O"
],
"chemical_system": "Mn-Ni-O-Y",
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"volume": 230.63960550657762,
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"formula_full": "Y4 Mn3 Ni1 O12",
"formula_reduced": "Y4Mn3NiO12",
"formula_anonymous": "AB3C4D12",
"energy": -176.87106254,
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