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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1745",
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"results": [
{
"id": "mp-1208518",
"created_at": "2022-09-04T14:41:08.893252Z",
"structure_string": "Tb8 Si4 O20\n1.0\n7.057609 0.000000 0.000000\n0.000000 6.713805 0.000000\n0.000000 2.733244 8.717225\nTb Si O\n8 4 20\ndirect\n0.352658 0.417712 0.384886 Tb\n0.647342 0.582288 0.615114 Tb\n0.852658 0.082288 0.615114 Tb\n0.147342 0.917712 0.384886 Tb\n0.375816 0.266471 0.026466 Tb\n0.624184 0.733529 0.973534 Tb\n0.875816 0.233529 0.973534 Tb\n0.124184 0.766471 0.026466 Tb\n0.913434 0.460779 0.298305 Si\n0.086566 0.539221 0.701695 Si\n0.413434 0.039221 0.701695 Si\n0.586566 0.960779 0.298305 Si\n0.428409 0.145158 0.294830 O\n0.571591 0.854842 0.705170 O\n0.928409 0.354842 0.705170 O\n0.071591 0.645158 0.294830 O\n0.230920 0.048980 0.593862 O\n0.769080 0.951020 0.406138 O\n0.730920 0.451020 0.406138 O\n0.269080 0.548980 0.593862 O\n0.121261 0.051724 0.115550 O\n0.878739 0.948276 0.884450 O\n0.621261 0.448276 0.884450 O\n0.378739 0.551724 0.115550 O\n0.136934 0.491577 0.885597 O\n0.863066 0.508423 0.114403 O\n0.636934 0.008423 0.114403 O\n0.363066 0.991577 0.885597 O\n0.042957 0.251871 0.368314 O\n0.957043 0.748129 0.631686 O\n0.542957 0.248129 0.631686 O\n0.457043 0.751871 0.368314 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "O-Si-Tb",
"density": 6.84929716174593,
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"volume": 413.05185139998287,
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"formula_full": "Tb8 Si4 O20",
"formula_reduced": "Tb2SiO5",
"formula_anonymous": "AB2C5",
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"total_magnetization": 9.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.207000Z",
"spacegroup": 14
},
{
"id": "mp-1206089",
"created_at": "2022-09-04T14:42:01.432381Z",
"structure_string": "Tb2 Si3 Ir3\n1.0\n2.785336 -0.238807 0.916455\n-0.039644 3.313816 0.983882\n5.696751 8.721655 19.453722\nTb Si Ir\n2 3 3\ndirect\n0.538543 0.490242 0.752482 Tb\n0.452496 0.507087 0.248413 Tb\n0.356357 0.384365 0.404222 Si\n0.637820 0.616147 0.595658 Si\n0.484410 0.497366 0.000807 Si\n0.497663 0.609620 0.097914 Ir\n0.512656 0.395903 0.900693 Ir\n0.520055 0.499270 0.499813 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Tb",
"density": 11.905136555232893,
"density_atomic": 0.0586003024055666,
"volume": 136.51806682895307,
"volume_molar": 10.276637684088028,
"formula_full": "Tb2 Si3 Ir3",
"formula_reduced": "Tb2(SiIr)3",
"formula_anonymous": "A2B3C3",
"energy": -55.86777057,
"energy_per_atom": -6.98347132125,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0107267,
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"updated_at": "2021-11-28T01:35:38.930000Z",
"spacegroup": 6
},
{
"id": "mp-1217674",
"created_at": "2022-09-04T14:46:35.968986Z",
"structure_string": "Tb2 Si1 Ge1\n1.0\n2.164261 -5.339776 0.000000\n2.164261 5.339776 0.000000\n0.000000 0.000000 3.911899\nTb Si Ge\n2 1 1\ndirect\n0.138274 0.861726 0.500000 Tb\n0.860241 0.139759 0.000000 Tb\n0.580994 0.419006 0.000000 Si\n0.420491 0.579509 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ge"
],
"chemical_system": "Ge-Si-Tb",
"density": 7.687291095183126,
"density_atomic": 0.04423944701517721,
"volume": 90.41704338274667,
"volume_molar": 13.612604058848175,
"formula_full": "Tb2 Si1 Ge1",
"formula_reduced": "Tb2SiGe",
"formula_anonymous": "ABC2",
"energy": -22.61492186,
"energy_per_atom": -5.653730465,
"energy_above_hull": null,
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"energy_uncorrected": -22.68592186,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.0007411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.887000Z",
"spacegroup": 38
},
{
"id": "mp-16478",
"created_at": "2022-09-04T14:45:08.238676Z",
"structure_string": "Tb4 Si10 Ru6\n1.0\n-2.815277 4.831867 6.080397\n2.815277 -4.831867 6.080397\n2.815277 4.831867 -6.080397\nTb Si Ru\n4 10 6\ndirect\n0.097527 0.865022 0.232504 Tb\n0.902473 0.134978 0.767496 Tb\n0.367482 0.634978 0.732504 Tb\n0.632518 0.365022 0.267496 Tb\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.291932 0.041932 0.750000 Si\n0.708068 0.458068 0.750000 Si\n0.708068 0.958068 0.250000 Si\n0.291932 0.541932 0.250000 Si\n0.764363 0.595828 0.168534 Si\n0.427294 0.095828 0.331466 Si\n0.572706 0.904172 0.668534 Si\n0.235637 0.404172 0.831466 Si\n0.238855 0.146002 0.092853 Ru\n0.500000 0.250000 0.750000 Ru\n0.053149 0.646002 0.407147 Ru\n0.946851 0.353998 0.592853 Ru\n0.761145 0.853998 0.907147 Ru\n0.500000 0.750000 0.250000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Tb",
"density": 7.6438866756593,
"density_atomic": 0.06045078772096093,
"volume": 330.8476324960299,
"volume_molar": 9.96205506501921,
"formula_full": "Tb4 Si10 Ru6",
"formula_reduced": "Tb2Si5Ru3",
"formula_anonymous": "A2B3C5",
"energy": -144.7761967,
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"total_magnetization": 0.0021543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.322000Z",
"spacegroup": 72
},
{
"id": "mp-12879",
"created_at": "2022-09-04T14:44:04.171623Z",
"structure_string": "Tb4 Si10 Rh6\n1.0\n5.918131 5.570414 0.000000\n-5.918131 5.570414 0.000000\n0.000000 2.711167 5.032537\nTb Si Rh\n4 10 6\ndirect\n0.867248 0.599072 0.760247 Tb\n0.400928 0.132752 0.739753 Tb\n0.132752 0.400928 0.239753 Tb\n0.599072 0.867248 0.260247 Tb\n0.057967 0.266245 0.838599 Si\n0.733755 0.942033 0.661401 Si\n0.942033 0.733755 0.161401 Si\n0.266245 0.057967 0.338599 Si\n0.512426 0.487574 0.750000 Si\n0.487574 0.512426 0.250000 Si\n0.776002 0.223998 0.750000 Si\n0.789586 0.210414 0.250000 Si\n0.210414 0.789586 0.750000 Si\n0.223998 0.776002 0.250000 Si\n0.997998 0.002002 0.250000 Rh\n0.460420 0.739015 0.873665 Rh\n0.739015 0.460420 0.373665 Rh\n0.539580 0.260985 0.126335 Rh\n0.002002 0.997998 0.750000 Rh\n0.260985 0.539580 0.626335 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Tb",
"density": 7.676839059474942,
"density_atomic": 0.06027552136149124,
"volume": 331.80965586433865,
"volume_molar": 9.991022265711035,
"formula_full": "Tb4 Si10 Rh6",
"formula_reduced": "Tb2Si5Rh3",
"formula_anonymous": "A2B3C5",
"energy": -135.82262824999998,
"energy_per_atom": -6.791131412499999,
"energy_above_hull": null,
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"energy_uncorrected": -136.53262825,
"band_gap": 0.0,
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"total_magnetization": 0.0010556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.889000Z",
"spacegroup": 15
},
{
"id": "mp-542754",
"created_at": "2022-09-04T14:48:06.232124Z",
"structure_string": "Tb8 Si20 Os12\n1.0\n10.747545 0.000000 0.000000\n0.000000 10.747545 0.000000\n0.000000 0.000000 5.699528\nTb Si Os\n8 20 12\ndirect\n0.764506 0.929504 0.500000 Tb\n0.429504 0.264506 0.000000 Tb\n0.264506 0.570496 0.000000 Tb\n0.570496 0.735494 0.000000 Tb\n0.235494 0.070496 0.500000 Tb\n0.070496 0.764506 0.500000 Tb\n0.735494 0.429504 0.000000 Tb\n0.929504 0.235494 0.500000 Tb\n0.500000 0.500000 0.743199 Si\n0.973776 0.320076 0.000000 Si\n0.026224 0.679924 0.000000 Si\n0.672839 0.172839 0.250000 Si\n0.672839 0.172839 0.750000 Si\n0.327161 0.827161 0.750000 Si\n0.327161 0.827161 0.250000 Si\n0.320076 0.026224 0.000000 Si\n0.000000 0.000000 0.756801 Si\n0.500000 0.500000 0.256801 Si\n0.179924 0.526224 0.500000 Si\n0.526224 0.820076 0.500000 Si\n0.172839 0.327161 0.250000 Si\n0.679924 0.973776 0.000000 Si\n0.000000 0.000000 0.243199 Si\n0.473776 0.179924 0.500000 Si\n0.827161 0.672839 0.250000 Si\n0.820076 0.473776 0.500000 Si\n0.172839 0.327161 0.750000 Si\n0.827161 0.672839 0.750000 Si\n0.353443 0.374398 0.500000 Os\n0.500000 0.000000 0.750000 Os\n0.853443 0.125602 0.000000 Os\n0.874398 0.853443 0.000000 Os\n0.000000 0.500000 0.250000 Os\n0.125602 0.146557 0.000000 Os\n0.646557 0.625602 0.500000 Os\n0.146557 0.874398 0.000000 Os\n0.374398 0.646557 0.500000 Os\n0.500000 0.000000 0.250000 Os\n0.625602 0.353443 0.500000 Os\n0.000000 0.500000 0.750000 Os\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Si",
"Os"
],
"chemical_system": "Os-Si-Tb",
"density": 10.38134457030544,
"density_atomic": 0.06075787211115556,
"volume": 658.3509035145378,
"volume_molar": 9.911704526094313,
"formula_full": "Tb8 Si20 Os12",
"formula_reduced": "Tb2Si5Os3",
"formula_anonymous": "A2B3C5",
"energy": -308.31556869,
"energy_per_atom": -7.707889217250001,
"energy_above_hull": null,
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"energy_uncorrected": -309.73556869,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.356000Z",
"spacegroup": 128
},
{
"id": "mp-15204",
"created_at": "2022-09-04T14:40:28.838526Z",
"structure_string": "Tb4 Si10 Ni6\n1.0\n-2.830238 4.790368 5.582797\n2.830238 -4.790368 5.582797\n2.830238 4.790368 -5.582797\nTb Si Ni\n4 10 6\ndirect\n0.632032 0.868820 0.763212 Tb\n0.367968 0.131180 0.236788 Tb\n0.894392 0.631180 0.263212 Tb\n0.105608 0.368820 0.736788 Tb\n0.000000 0.250000 0.250000 Si\n0.000000 0.750000 0.750000 Si\n0.266600 0.516600 0.250000 Si\n0.733400 0.983400 0.250000 Si\n0.733400 0.483400 0.750000 Si\n0.266600 0.016600 0.750000 Si\n0.455149 0.607415 0.847734 Si\n0.759682 0.107415 0.652266 Si\n0.240318 0.892585 0.347734 Si\n0.544851 0.392585 0.152266 Si\n0.022503 0.134238 0.888265 Ni\n0.500000 0.750000 0.250000 Ni\n0.245973 0.634238 0.611735 Ni\n0.754027 0.365762 0.388265 Ni\n0.977497 0.865762 0.111735 Ni\n0.500000 0.250000 0.750000 Ni\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Si",
"Ni"
],
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"density": 6.958411773665991,
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"volume": 302.76360172082923,
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"formula_full": "Tb4 Si10 Ni6",
"formula_reduced": "Tb2Si5Ni3",
"formula_anonymous": "A2B3C5",
"energy": -122.6791723,
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"updated_at": "2021-11-28T01:34:52.836000Z",
"spacegroup": 72
},
{
"id": "mp-1187284",
"created_at": "2022-09-04T14:44:26.710200Z",
"structure_string": "Tb4 Si10 Ir6\n1.0\n-2.922796 4.990274 5.748320\n2.922796 -4.990274 5.748320\n2.922796 4.990274 -5.748320\nTb Si Ir\n4 10 6\ndirect\n0.401544 0.630933 0.770611 Tb\n0.598456 0.369067 0.229389 Tb\n0.139678 0.869067 0.270611 Tb\n0.860322 0.130933 0.729389 Tb\n0.738395 0.894112 0.844284 Si\n0.261605 0.105888 0.155716 Si\n0.950172 0.605888 0.344284 Si\n0.049828 0.394112 0.655716 Si\n0.225544 0.975544 0.750000 Si\n0.774456 0.524456 0.750000 Si\n0.774456 0.024456 0.250000 Si\n0.225544 0.475544 0.250000 Si\n0.500000 0.750000 0.250000 Si\n0.500000 0.250000 0.750000 Si\n0.000000 0.750000 0.750000 Ir\n0.000000 0.250000 0.250000 Ir\n0.473270 0.860152 0.613117 Ir\n0.526730 0.139848 0.386883 Ir\n0.752965 0.639848 0.113117 Ir\n0.247035 0.360152 0.886883 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ir-Si-Tb",
"density": 10.248632242316315,
"density_atomic": 0.05963567940882521,
"volume": 335.3697014649974,
"volume_molar": 10.098217744306963,
"formula_full": "Tb4 Si10 Ir6",
"formula_reduced": "Tb2Si5Ir3",
"formula_anonymous": "A2B3C5",
"energy": -144.84942013,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.137000Z",
"spacegroup": 72
},
{
"id": "mp-1190079",
"created_at": "2022-09-04T14:42:02.672262Z",
"structure_string": "Tb4 Si8 Mo6\n1.0\n6.950402 0.000000 0.000000\n0.000000 6.768149 0.000000\n0.000000 2.238514 6.516166\nTb Si Mo\n4 8 6\ndirect\n0.331537 0.560682 0.809570 Tb\n0.831537 0.939318 0.190430 Tb\n0.668463 0.439318 0.190430 Tb\n0.168463 0.060682 0.809570 Tb\n0.544941 0.869554 0.909211 Si\n0.044941 0.630446 0.090789 Si\n0.455059 0.130446 0.090789 Si\n0.955059 0.369554 0.909211 Si\n0.132251 0.870601 0.494824 Si\n0.632251 0.629399 0.505176 Si\n0.867749 0.129399 0.505176 Si\n0.367749 0.370601 0.494824 Si\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.837216 0.750357 0.750715 Mo\n0.337216 0.749643 0.249285 Mo\n0.162784 0.249643 0.249285 Mo\n0.662784 0.250357 0.750715 Mo\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Tb",
"density": 7.779277151970358,
"density_atomic": 0.05872195830626163,
"volume": 306.5292868150248,
"volume_molar": 10.255347290347176,
"formula_full": "Tb4 Si8 Mo6",
"formula_reduced": "Tb2Si4Mo3",
"formula_anonymous": "A2B3C4",
"energy": -138.39484353999998,
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"updated_at": "2021-11-28T01:35:33.303000Z",
"spacegroup": 14
},
{
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},
{
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{
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}