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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1747",
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"results": [
{
"id": "mp-15257",
"created_at": "2022-09-04T14:43:49.441529Z",
"structure_string": "Tb8 Se12\n1.0\n4.049965 0.000000 0.000000\n0.000000 11.024193 0.000000\n0.000000 0.000000 11.211615\nTb Se\n8 12\ndirect\n0.250000 0.187374 0.487380 Tb\n0.750000 0.812626 0.512620 Tb\n0.750000 0.687374 0.012620 Tb\n0.250000 0.312626 0.987380 Tb\n0.250000 0.998631 0.806210 Tb\n0.750000 0.001369 0.193790 Tb\n0.750000 0.498631 0.693790 Tb\n0.250000 0.501369 0.306210 Tb\n0.250000 0.304148 0.726818 Se\n0.750000 0.695852 0.273182 Se\n0.750000 0.804148 0.773182 Se\n0.250000 0.195852 0.226818 Se\n0.250000 0.625386 0.544467 Se\n0.750000 0.374614 0.455533 Se\n0.750000 0.125386 0.955533 Se\n0.250000 0.874614 0.044467 Se\n0.250000 0.556018 0.880958 Se\n0.750000 0.443982 0.119042 Se\n0.750000 0.056018 0.619042 Se\n0.250000 0.943982 0.380958 Se\n",
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"spacegroup": 62
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{
"id": "mp-685003",
"created_at": "2022-09-04T14:45:14.004553Z",
"structure_string": "Tb16 Se24\n1.0\n-4.364089 4.364089 13.080626\n4.364089 -4.364089 13.080626\n4.364089 4.364089 -13.080626\nTb Se\n16 24\ndirect\n0.202152 0.326695 0.608434 Tb\n0.417381 0.917381 0.500000 Tb\n0.993635 0.625000 0.868635 Tb\n0.332619 0.332619 0.000000 Tb\n0.031739 0.923305 0.375457 Tb\n0.756365 0.125000 0.131365 Tb\n0.547848 0.656282 0.624543 Tb\n0.343718 0.968261 0.891566 Tb\n0.667381 0.667381 0.000000 Tb\n0.375000 0.243635 0.368635 Tb\n0.076695 0.452152 0.108434 Tb\n0.875000 0.006365 0.631365 Tb\n0.082619 0.582619 0.500000 Tb\n0.673305 0.281739 0.875457 Tb\n0.718261 0.593718 0.391566 Tb\n0.406282 0.797848 0.124543 Tb\n0.713635 0.824563 0.746730 Se\n0.365744 0.611735 0.109462 Se\n0.502273 0.256282 0.890538 Se\n0.247727 0.638265 0.254009 Se\n0.384256 0.993718 0.745991 Se\n0.077833 0.966905 0.253270 Se\n0.036365 0.283095 0.610928 Se\n0.057849 0.153404 0.745523 Se\n0.687674 0.942151 0.095555 Se\n0.672167 0.425437 0.389072 Se\n0.574563 0.963635 0.246730 Se\n0.846596 0.592119 0.904445 Se\n0.716905 0.327833 0.753270 Se\n0.407881 0.312326 0.254477 Se\n0.361735 0.615744 0.609462 Se\n0.388265 0.497727 0.754009 Se\n0.033095 0.286365 0.110928 Se\n0.006282 0.752273 0.390538 Se\n0.175437 0.922167 0.889072 Se\n0.903404 0.307849 0.245523 Se\n0.062326 0.657881 0.754477 Se\n0.743718 0.634256 0.245991 Se\n0.692151 0.937674 0.595555 Se\n0.342119 0.096596 0.404445 Se\n",
"nsites": 40,
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"elements": [
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"formula_full": "Tb16 Se24",
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"formula_anonymous": "A2B3",
"energy": -243.17145581,
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"total_magnetization": 5.5e-06,
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"updated_at": "2021-11-28T01:36:54.169000Z",
"spacegroup": 122
},
{
"id": "mp-30313",
"created_at": "2022-09-04T14:40:18.773841Z",
"structure_string": "Tb8 Se8 O28\n1.0\n10.708743 0.000000 0.000000\n0.000000 10.708743 0.000000\n0.000000 0.000000 5.285858\nTb Se O\n8 8 28\ndirect\n0.121777 0.878223 0.750000 Tb\n0.378223 0.378223 0.250000 Tb\n0.621777 0.621777 0.250000 Tb\n0.878223 0.121777 0.750000 Tb\n0.378223 0.621777 0.750000 Tb\n0.121777 0.121777 0.250000 Tb\n0.878223 0.878223 0.250000 Tb\n0.621777 0.378223 0.750000 Tb\n0.622275 0.122275 0.213958 Se\n0.377725 0.877725 0.213958 Se\n0.377725 0.122275 0.713958 Se\n0.622275 0.877725 0.713958 Se\n0.122275 0.622275 0.286042 Se\n0.122275 0.377725 0.786042 Se\n0.877725 0.622275 0.786042 Se\n0.877725 0.377725 0.286042 Se\n0.752769 0.930305 0.878098 O\n0.247231 0.069695 0.878098 O\n0.569695 0.252769 0.378098 O\n0.430305 0.747231 0.378098 O\n0.930305 0.752769 0.621902 O\n0.252769 0.569695 0.121902 O\n0.747231 0.430305 0.121902 O\n0.069695 0.247231 0.621902 O\n0.747231 0.569695 0.621902 O\n0.252769 0.430305 0.621902 O\n0.930305 0.247231 0.121902 O\n0.069695 0.752769 0.121902 O\n0.569695 0.747231 0.878098 O\n0.247231 0.930305 0.378098 O\n0.752769 0.069695 0.378098 O\n0.430305 0.252769 0.878098 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.814185 0.314185 0.559762 O\n0.814185 0.685815 0.059762 O\n0.185815 0.314185 0.059762 O\n0.185815 0.685815 0.559762 O\n0.685815 0.814185 0.440238 O\n0.314185 0.185815 0.440238 O\n0.314185 0.814185 0.940238 O\n0.685815 0.185815 0.940238 O\n",
"nsites": 44,
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"elements": [
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"O"
],
"chemical_system": "O-Se-Tb",
"density": 6.440527432479786,
"density_atomic": 0.07258722478821439,
"volume": 606.1672715602161,
"volume_molar": 8.296419621456288,
"formula_full": "Tb8 Se8 O28",
"formula_reduced": "Tb2Se2O7",
"formula_anonymous": "A2B2C7",
"energy": -317.73538918,
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"updated_at": "2021-11-28T01:34:49.378000Z",
"spacegroup": 138
},
{
"id": "mp-1208563",
"created_at": "2022-09-04T14:41:50.450552Z",
"structure_string": "Tb8 Sc12 Si16\n1.0\n7.116026 0.000000 0.000000\n0.000000 7.403734 0.000000\n0.000000 0.000000 14.041390\nTb Sc Si\n8 12 16\ndirect\n0.011981 0.174118 0.097319 Tb\n0.988019 0.825882 0.902681 Tb\n0.488019 0.674118 0.902681 Tb\n0.988019 0.825882 0.597319 Tb\n0.511981 0.325882 0.097319 Tb\n0.011981 0.174118 0.402681 Tb\n0.511981 0.325882 0.402681 Tb\n0.488019 0.674118 0.597319 Tb\n0.160812 0.502560 0.750000 Sc\n0.839188 0.497440 0.250000 Sc\n0.339188 0.002560 0.250000 Sc\n0.660812 0.997440 0.750000 Sc\n0.329946 0.176496 0.624879 Sc\n0.670054 0.823504 0.375121 Sc\n0.170054 0.676496 0.375121 Sc\n0.670054 0.823504 0.124879 Sc\n0.829946 0.323504 0.624879 Sc\n0.329946 0.176496 0.875121 Sc\n0.829946 0.323504 0.875121 Sc\n0.170054 0.676496 0.124879 Sc\n0.033344 0.120131 0.750000 Si\n0.966656 0.879869 0.250000 Si\n0.466656 0.620131 0.250000 Si\n0.533344 0.379869 0.750000 Si\n0.286074 0.875862 0.750000 Si\n0.713926 0.124138 0.250000 Si\n0.213926 0.375862 0.250000 Si\n0.786074 0.624138 0.750000 Si\n0.156596 0.464234 0.539424 Si\n0.843404 0.535766 0.460576 Si\n0.343404 0.964234 0.460576 Si\n0.843404 0.535766 0.039424 Si\n0.656596 0.035766 0.539424 Si\n0.156596 0.464234 0.960576 Si\n0.656596 0.035766 0.960576 Si\n0.343404 0.964234 0.039424 Si\n",
"nsites": 36,
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"elements": [
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"Sc",
"Si"
],
"chemical_system": "Sc-Si-Tb",
"density": 5.073475338423356,
"density_atomic": 0.0486635811409726,
"volume": 739.7729298982804,
"volume_molar": 12.375046428569602,
"formula_full": "Tb8 Sc12 Si16",
"formula_reduced": "Tb2Sc3Si4",
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"energy": -228.7659373,
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"updated_at": "2021-11-28T01:35:29.718000Z",
"spacegroup": 62
},
{
"id": "mp-755713",
"created_at": "2022-09-04T14:40:08.936981Z",
"structure_string": "Tb2 Sb1 O2\n1.0\n-1.938455 1.938455 6.704173\n1.938455 -1.938455 6.704173\n1.938455 1.938455 -6.704173\nTb Sb O\n2 1 2\ndirect\n0.334439 0.334439 0.000000 Tb\n0.665561 0.665561 0.000000 Tb\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"volume": 100.76661068145103,
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"formula_full": "Tb2 Sb1 O2",
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"formula_anonymous": "AB2C2",
"energy": -38.44102857,
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"updated_at": "2021-11-28T01:34:53.292000Z",
"spacegroup": 139
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{
"id": "mp-641945",
"created_at": "2022-09-04T14:42:41.645367Z",
"structure_string": "Tb8 Sb20\n1.0\n4.229754 0.000000 0.000000\n0.000000 13.258321 0.000000\n0.000000 3.105648 14.456390\nTb Sb\n8 20\ndirect\n0.750000 0.338627 0.144744 Tb\n0.250000 0.951851 0.360886 Tb\n0.250000 0.661373 0.855256 Tb\n0.250000 0.670531 0.577397 Tb\n0.750000 0.048149 0.639114 Tb\n0.750000 0.329469 0.422603 Tb\n0.250000 0.392137 0.770689 Tb\n0.750000 0.607863 0.229311 Tb\n0.750000 0.846527 0.826862 Sb\n0.250000 0.862045 0.677658 Sb\n0.250000 0.141055 0.480881 Sb\n0.750000 0.278198 0.938239 Sb\n0.250000 0.140368 0.780106 Sb\n0.750000 0.575294 0.448659 Sb\n0.750000 0.137955 0.322342 Sb\n0.250000 0.714780 0.348276 Sb\n0.750000 0.285220 0.651724 Sb\n0.750000 0.859632 0.219894 Sb\n0.250000 0.418508 0.975767 Sb\n0.250000 0.424706 0.551341 Sb\n0.750000 0.575129 0.734133 Sb\n0.250000 0.424871 0.265867 Sb\n0.750000 0.858945 0.519119 Sb\n0.750000 0.028274 0.905351 Sb\n0.250000 0.721802 0.061761 Sb\n0.250000 0.971726 0.094649 Sb\n0.250000 0.153473 0.173138 Sb\n0.750000 0.581492 0.024233 Sb\n",
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"formula_full": "Tb8 Sb20",
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{
"id": "mp-1207366",
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"structure_string": "Tb2 Sb3 Pd1\n1.0\n10.272873 0.000000 0.000000\n0.000000 10.272873 0.000000\n0.000000 0.000000 38.469568\nTb Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.241620 Tb\n0.500000 0.500000 0.758380 Tb\n0.500000 0.500000 0.689606 Sb\n0.500000 0.500000 0.310394 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Pd\n",
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"formula_full": "Tb2 Sb3 Pd1",
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{
"id": "mp-1208797",
"created_at": "2022-09-04T14:43:00.528644Z",
"structure_string": "Tb4 S6 O40\n1.0\n3.325287 6.705755 0.000000\n-3.325287 6.705755 0.000000\n0.000000 2.756384 18.146424\nTb S O\n4 6 40\ndirect\n0.812391 0.848083 0.893201 Tb\n0.187609 0.151917 0.106799 Tb\n0.151917 0.187609 0.606799 Tb\n0.848083 0.812391 0.393201 Tb\n0.756860 0.812643 0.589858 S\n0.243140 0.187357 0.410142 S\n0.187357 0.243140 0.910142 S\n0.812643 0.756860 0.089858 S\n0.710099 0.289901 0.750000 S\n0.289901 0.710099 0.250000 S\n0.348514 0.272683 0.682706 O\n0.651486 0.727317 0.317294 O\n0.727317 0.651486 0.817294 O\n0.272683 0.348514 0.182706 O\n0.304465 0.391618 0.571741 O\n0.695535 0.608382 0.428259 O\n0.608382 0.695535 0.928259 O\n0.391618 0.304465 0.071741 O\n0.524211 0.883501 0.612352 O\n0.475789 0.116499 0.387648 O\n0.116499 0.475789 0.887648 O\n0.883501 0.524211 0.112352 O\n0.768106 0.904579 0.514375 O\n0.231894 0.095421 0.485625 O\n0.095421 0.231894 0.985625 O\n0.904579 0.768106 0.014375 O\n0.538939 0.389480 0.693616 O\n0.461061 0.610520 0.306384 O\n0.610520 0.461061 0.806384 O\n0.389480 0.538939 0.193616 O\n0.814196 0.892180 0.646386 O\n0.185804 0.107820 0.353614 O\n0.107820 0.185804 0.853614 O\n0.892180 0.814196 0.146386 O\n0.437509 0.092127 0.909249 O\n0.562491 0.907873 0.090751 O\n0.907873 0.562491 0.590751 O\n0.092127 0.437509 0.409249 O\n0.109701 0.877960 0.625869 O\n0.890299 0.122040 0.374131 O\n0.122040 0.890299 0.874131 O\n0.877960 0.109701 0.125869 O\n0.801617 0.136407 0.932882 O\n0.198383 0.863593 0.067118 O\n0.863593 0.198383 0.567118 O\n0.136407 0.801617 0.432882 O\n0.756050 0.077706 0.786646 O\n0.243950 0.922294 0.213354 O\n0.922294 0.243950 0.713354 O\n0.077706 0.756050 0.286646 O\n",
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"formula_full": "Tb4 S6 O40",
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{
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