HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=1725",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=1723",
"results": [
{
"id": "mp-685414",
"created_at": "2022-09-04T14:40:55.108462Z",
"structure_string": "Tb22 Cu2 Se32\n1.0\n8.696635 0.000000 0.000000\n0.000000 8.782707 0.000000\n0.000000 0.000000 17.401534\nTb Cu Se\n22 2 32\ndirect\n0.252004 0.001536 0.681387 Tb\n0.624815 0.236671 0.623912 Tb\n0.252345 0.513483 0.561070 Tb\n0.000000 0.123785 0.500000 Tb\n0.864547 0.751336 0.623187 Tb\n0.747655 0.513483 0.438930 Tb\n0.135453 0.751336 0.376813 Tb\n0.997726 0.373768 0.248079 Tb\n0.747996 0.001536 0.318613 Tb\n0.497726 0.626232 0.251921 Tb\n0.375185 0.236671 0.376088 Tb\n0.247996 0.998464 0.181387 Tb\n0.635453 0.248664 0.123187 Tb\n0.500000 0.876215 0.000000 Tb\n0.247655 0.486517 0.061070 Tb\n0.875185 0.763329 0.123912 Tb\n0.752345 0.486517 0.938930 Tb\n0.124815 0.763329 0.876088 Tb\n0.752004 0.998464 0.818613 Tb\n0.002274 0.373768 0.751921 Tb\n0.502274 0.626232 0.748079 Tb\n0.364547 0.248664 0.876813 Tb\n0.500000 0.876127 0.500000 Cu\n0.000000 0.123873 0.000000 Cu\n0.928393 0.071738 0.662216 Se\n0.321664 0.318389 0.715724 Se\n0.315614 0.195216 0.536542 Se\n0.179057 0.681807 0.713702 Se\n0.192917 0.834429 0.532787 Se\n0.567035 0.917893 0.653962 Se\n0.934544 0.433463 0.590840 Se\n0.574223 0.555569 0.591969 Se\n0.425777 0.555569 0.408031 Se\n0.807083 0.834429 0.467213 Se\n0.820943 0.681807 0.286298 Se\n0.684386 0.195216 0.463458 Se\n0.678336 0.318389 0.284276 Se\n0.432965 0.917893 0.346038 Se\n0.065456 0.433463 0.409160 Se\n0.071607 0.071738 0.337784 Se\n0.932965 0.082107 0.153962 Se\n0.320943 0.318193 0.213702 Se\n0.178336 0.681611 0.215724 Se\n0.307083 0.165571 0.032787 Se\n0.184386 0.804784 0.036542 Se\n0.925777 0.444431 0.091969 Se\n0.571607 0.928262 0.162216 Se\n0.565456 0.566537 0.090840 Se\n0.434544 0.566537 0.909160 Se\n0.815614 0.804784 0.963458 Se\n0.821664 0.681611 0.784276 Se\n0.692917 0.165571 0.967213 Se\n0.679057 0.318193 0.786298 Se\n0.428393 0.928262 0.837784 Se\n0.074223 0.444431 0.908031 Se\n0.067035 0.082107 0.846038 Se\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tb",
"density": 7.683675669911375,
"density_atomic": 0.042132851739774255,
"volume": 1329.1291162979808,
"volume_molar": 14.29321897600152,
"formula_full": "Tb22 Cu2 Se32",
"formula_reduced": "Tb11CuSe16",
"formula_anonymous": "AB11C16",
"energy": -332.28843919,
"energy_per_atom": -5.933722128392858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.18443919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2469903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.879000Z",
"spacegroup": 18
},
{
"id": "mp-1197394",
"created_at": "2022-09-04T14:41:32.238237Z",
"structure_string": "Tb22 Cd90\n1.0\n0.000000 10.908442 10.908442\n10.908442 0.000000 10.908442\n10.908442 10.908442 0.000000\nTb Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Tb\n0.013637 0.333461 0.639266 Tb\n0.013637 0.013637 0.639266 Tb\n0.333461 0.013637 0.639266 Tb\n0.013637 0.639266 0.333461 Tb\n0.333461 0.639266 0.013637 Tb\n0.013637 0.639266 0.013637 Tb\n0.639266 0.013637 0.013637 Tb\n0.639266 0.333461 0.013637 Tb\n0.639266 0.013637 0.333461 Tb\n0.333461 0.013637 0.013637 Tb\n0.013637 0.013637 0.333461 Tb\n0.013637 0.333461 0.013637 Tb\n0.250000 0.250000 0.250000 Tb\n0.406384 0.406384 0.780848 Tb\n0.406384 0.780848 0.406384 Tb\n0.780848 0.406384 0.406384 Tb\n0.406384 0.406384 0.406384 Tb\n0.662195 0.662195 0.013415 Tb\n0.662195 0.013415 0.662195 Tb\n0.013415 0.662195 0.662195 Tb\n0.662195 0.662195 0.662195 Tb\n0.083347 0.083347 0.749960 Cd\n0.083347 0.749960 0.083347 Cd\n0.749960 0.083347 0.083347 Cd\n0.083347 0.083347 0.083347 Cd\n0.913316 0.913316 0.260053 Cd\n0.913316 0.260053 0.913316 Cd\n0.260053 0.913316 0.913316 Cd\n0.913316 0.913316 0.913316 Cd\n0.156338 0.156338 0.843662 Cd\n0.843662 0.156338 0.843662 Cd\n0.156338 0.843662 0.843662 Cd\n0.843662 0.843662 0.156338 Cd\n0.156338 0.843662 0.156338 Cd\n0.843662 0.156338 0.156338 Cd\n0.390740 0.200774 0.017746 Cd\n0.390740 0.390740 0.017746 Cd\n0.200774 0.390740 0.017746 Cd\n0.390740 0.017746 0.200774 Cd\n0.200774 0.017746 0.390740 Cd\n0.390740 0.017746 0.390740 Cd\n0.017746 0.390740 0.390740 Cd\n0.017746 0.200774 0.390740 Cd\n0.017746 0.390740 0.200774 Cd\n0.200774 0.390740 0.390740 Cd\n0.390740 0.390740 0.200774 Cd\n0.390740 0.200774 0.390740 Cd\n0.163340 0.163340 0.509981 Cd\n0.163340 0.509981 0.163340 Cd\n0.509981 0.163340 0.163340 Cd\n0.163340 0.163340 0.163340 Cd\n0.263223 0.611602 0.861953 Cd\n0.263223 0.263223 0.861953 Cd\n0.611602 0.263223 0.861953 Cd\n0.263223 0.861953 0.611602 Cd\n0.611602 0.861953 0.263223 Cd\n0.263223 0.861953 0.263223 Cd\n0.861953 0.263223 0.263223 Cd\n0.861953 0.611602 0.263223 Cd\n0.861953 0.263223 0.611602 Cd\n0.611602 0.263223 0.263223 Cd\n0.263223 0.263223 0.611602 Cd\n0.263223 0.611602 0.263223 Cd\n0.500000 0.500000 0.500000 Cd\n0.640593 0.450075 0.268739 Cd\n0.640593 0.640593 0.268739 Cd\n0.450075 0.640593 0.268739 Cd\n0.640593 0.268739 0.450075 Cd\n0.450075 0.268739 0.640593 Cd\n0.640593 0.268739 0.640593 Cd\n0.268739 0.640593 0.640593 Cd\n0.268739 0.450075 0.640593 Cd\n0.268739 0.640593 0.450075 Cd\n0.450075 0.640593 0.640593 Cd\n0.640593 0.640593 0.450075 Cd\n0.640593 0.450075 0.640593 Cd\n0.512491 0.833611 0.141406 Cd\n0.512491 0.512491 0.141406 Cd\n0.833611 0.512491 0.141406 Cd\n0.512491 0.141406 0.833611 Cd\n0.833611 0.141406 0.512491 Cd\n0.512491 0.141406 0.512491 Cd\n0.141406 0.512491 0.512491 Cd\n0.141406 0.833611 0.512491 Cd\n0.141406 0.512491 0.833611 Cd\n0.833611 0.512491 0.512491 Cd\n0.512491 0.512491 0.833611 Cd\n0.512491 0.833611 0.512491 Cd\n0.750000 0.750000 0.750000 Cd\n0.830051 0.830051 0.509847 Cd\n0.830051 0.509847 0.830051 Cd\n0.509847 0.830051 0.830051 Cd\n0.830051 0.830051 0.830051 Cd\n0.911590 0.911590 0.588410 Cd\n0.588410 0.911590 0.588410 Cd\n0.911590 0.588410 0.588410 Cd\n0.588410 0.588410 0.911590 Cd\n0.911590 0.588410 0.911590 Cd\n0.588410 0.911590 0.911590 Cd\n0.763960 0.067636 0.404444 Cd\n0.763960 0.763960 0.404444 Cd\n0.067636 0.763960 0.404444 Cd\n0.763960 0.404444 0.067636 Cd\n0.067636 0.404444 0.763960 Cd\n0.763960 0.404444 0.763960 Cd\n0.404444 0.763960 0.763960 Cd\n0.404444 0.067636 0.763960 Cd\n0.404444 0.763960 0.067636 Cd\n0.067636 0.763960 0.763960 Cd\n0.763960 0.763960 0.067636 Cd\n0.763960 0.067636 0.763960 Cd\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Tb",
"Cd"
],
"chemical_system": "Cd-Tb",
"density": 8.707547621920577,
"density_atomic": 0.043141957483638,
"volume": 2596.0806262088845,
"volume_molar": 13.958895495838258,
"formula_full": "Tb22 Cd90",
"formula_reduced": "Tb11Cd45",
"formula_anonymous": "A11B45",
"energy": -211.84647213,
"energy_per_atom": -1.8914863583035715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.84647213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5053458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.122000Z",
"spacegroup": 216
},
{
"id": "mp-18",
"created_at": "2022-09-04T14:44:18.480501Z",
"structure_string": "Tb2\n1.0\n1.820192 -3.152665 0.000000\n1.820192 3.152665 0.000000\n0.000000 0.000000 5.663585\nTb\n2\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750000 Tb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.119996172618224,
"density_atomic": 0.03076901195376755,
"volume": 65.00046225095335,
"volume_molar": 19.572096657015376,
"formula_full": "Tb2",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -9.23090965,
"energy_per_atom": -4.615454825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.23090965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.991000Z",
"spacegroup": 194
},
{
"id": "mp-1217665",
"created_at": "2022-09-04T14:45:54.888984Z",
"structure_string": "Tb20 Te36\n1.0\n9.665887 0.000000 0.000000\n0.000000 9.665887 0.000000\n0.000000 0.000000 18.119718\nTb Te\n20 36\ndirect\n0.198924 0.096442 0.117891 Tb\n0.801076 0.903558 0.117891 Tb\n0.405717 0.698302 0.116322 Tb\n0.594283 0.301698 0.116322 Tb\n0.202929 0.091922 0.614362 Tb\n0.797071 0.908078 0.614362 Tb\n0.400733 0.698181 0.611314 Tb\n0.599267 0.301819 0.611314 Tb\n0.000000 0.500000 0.627126 Tb\n0.301819 0.400733 0.388686 Tb\n0.698181 0.599267 0.388686 Tb\n0.091922 0.797071 0.385638 Tb\n0.908078 0.202929 0.385638 Tb\n0.500000 0.000000 0.895026 Tb\n0.500000 0.000000 0.372874 Tb\n0.000000 0.500000 0.104974 Tb\n0.301698 0.405717 0.883678 Tb\n0.698302 0.594283 0.883678 Tb\n0.096442 0.801076 0.882109 Tb\n0.903558 0.198924 0.882109 Tb\n0.382864 0.207863 0.248861 Te\n0.617136 0.792137 0.248861 Te\n0.283724 0.866966 0.249420 Te\n0.716276 0.133034 0.249420 Te\n0.000000 0.000000 0.247435 Te\n0.500000 0.500000 0.248767 Te\n0.500000 0.000000 0.069419 Te\n0.000000 0.000000 0.752565 Te\n0.500000 0.500000 0.751233 Te\n0.401411 0.701659 0.936523 Te\n0.598589 0.298341 0.936523 Te\n0.798119 0.898954 0.936204 Te\n0.201881 0.101046 0.936204 Te\n0.000000 0.500000 0.447846 Te\n0.300680 0.396262 0.566654 Te\n0.699320 0.603738 0.566654 Te\n0.099936 0.799377 0.564983 Te\n0.900064 0.200623 0.564983 Te\n0.396262 0.699320 0.433346 Te\n0.603738 0.300680 0.433346 Te\n0.799377 0.900064 0.435017 Te\n0.200623 0.099936 0.435017 Te\n0.298341 0.401411 0.063477 Te\n0.701659 0.598589 0.063477 Te\n0.101046 0.798119 0.063796 Te\n0.898954 0.201881 0.063796 Te\n0.500000 0.000000 0.552154 Te\n0.000000 0.500000 0.930581 Te\n0.207863 0.617136 0.751139 Te\n0.792137 0.382864 0.751139 Te\n0.866966 0.716276 0.750580 Te\n0.133034 0.283724 0.750580 Te\n0.624547 0.083176 0.739451 Te\n0.375453 0.916824 0.739451 Te\n0.083176 0.375453 0.260549 Te\n0.916824 0.624547 0.260549 Te\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 7.623475461094675,
"density_atomic": 0.033079060415497005,
"volume": 1692.913864438692,
"volume_molar": 18.205295689652427,
"formula_full": "Tb20 Te36",
"formula_reduced": "Tb5Te9",
"formula_anonymous": "A5B9",
"energy": -292.53840045,
"energy_per_atom": -5.223900008035714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.34640045,
"band_gap": 0.2399999999999993,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0444249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.156000Z",
"spacegroup": 81
},
{
"id": "mp-685007",
"created_at": "2022-09-04T14:41:25.084973Z",
"structure_string": "Tb20 Te36\n1.0\n16.098289 0.000000 0.000000\n0.000000 11.716915 0.000000\n0.000000 0.204670 11.951191\nTb Te\n20 36\ndirect\n0.756335 0.000000 0.000000 Tb\n0.111195 0.913375 0.661273 Tb\n0.641580 0.877713 0.704154 Tb\n0.346827 0.751551 0.483655 Tb\n0.903274 0.842869 0.418331 Tb\n0.245772 0.740808 0.060151 Tb\n0.604786 0.733728 0.011937 Tb\n0.741516 0.529773 0.755055 Tb\n0.364340 0.555943 0.812078 Tb\n0.210083 0.500000 0.500000 Tb\n0.860571 0.500000 0.500000 Tb\n0.364340 0.444057 0.187922 Tb\n0.741516 0.470227 0.244945 Tb\n0.604786 0.266272 0.988063 Tb\n0.245772 0.259192 0.939849 Tb\n0.903274 0.157131 0.581669 Tb\n0.346827 0.248449 0.516345 Tb\n0.641580 0.122287 0.295846 Tb\n0.111195 0.086625 0.338727 Tb\n0.135498 0.000000 0.000000 Tb\n0.318085 0.000000 0.000000 Te\n0.239606 0.940691 0.220321 Te\n0.453938 0.801713 0.697935 Te\n0.919803 0.915859 0.663993 Te\n0.752381 0.896707 0.247061 Te\n0.088200 0.829349 0.421727 Te\n0.638505 0.708785 0.259400 Te\n0.770186 0.778269 0.883774 Te\n0.225776 0.692476 0.668050 Te\n0.423234 0.666055 0.043340 Te\n0.902496 0.603776 0.282436 Te\n0.252931 0.632802 0.292929 Te\n0.760105 0.723107 0.566335 Te\n0.084891 0.785132 0.905347 Te\n0.555423 0.616348 0.782815 Te\n0.679149 0.500000 0.500000 Te\n0.407451 0.500000 0.500000 Te\n0.693741 0.500000 0.000000 Te\n0.218175 0.500000 0.000000 Te\n0.555423 0.383652 0.217185 Te\n0.084891 0.214868 0.094653 Te\n0.760105 0.276893 0.433665 Te\n0.252931 0.367198 0.707071 Te\n0.902496 0.396224 0.717564 Te\n0.423234 0.333945 0.956660 Te\n0.225776 0.307524 0.331950 Te\n0.770186 0.221731 0.116226 Te\n0.638505 0.291215 0.740600 Te\n0.088200 0.170651 0.578273 Te\n0.752381 0.103293 0.752939 Te\n0.919803 0.084141 0.336007 Te\n0.453938 0.198287 0.302065 Te\n0.239606 0.059309 0.779679 Te\n0.572839 0.000000 0.000000 Te\n0.325028 0.000000 0.500000 Te\n0.599715 0.000000 0.500000 Te\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 5.725107979801242,
"density_atomic": 0.024841844604284406,
"volume": 2254.260941248374,
"volume_molar": 24.241922674942497,
"formula_full": "Tb20 Te36",
"formula_reduced": "Tb5Te9",
"formula_anonymous": "A5B9",
"energy": -277.62435391,
"energy_per_atom": -4.957577748392858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.43235391,
"band_gap": 0.2070000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011141,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.336000Z",
"spacegroup": 3
},
{
"id": "mp-1198576",
"created_at": "2022-09-04T14:41:05.549242Z",
"structure_string": "Tb20 Sn16\n1.0\n-8.081539 0.000000 0.000000\n0.000000 0.000000 -8.196003\n0.000000 -15.581818 0.000000\nTb Sn\n20 16\ndirect\n0.367783 0.835274 0.878745 Tb\n0.867783 0.664726 0.621255 Tb\n0.632217 0.164726 0.378745 Tb\n0.132217 0.335274 0.121255 Tb\n0.632217 0.164726 0.121255 Tb\n0.132217 0.335274 0.378745 Tb\n0.367783 0.835274 0.621255 Tb\n0.867783 0.664726 0.878745 Tb\n0.520367 0.319104 0.902335 Tb\n0.020367 0.180896 0.597665 Tb\n0.479633 0.680896 0.402335 Tb\n0.979633 0.819104 0.097665 Tb\n0.479633 0.680896 0.097665 Tb\n0.979633 0.819104 0.402335 Tb\n0.520367 0.319104 0.597665 Tb\n0.020367 0.180896 0.902335 Tb\n0.197423 0.502264 0.750000 Tb\n0.697423 0.997736 0.750000 Tb\n0.802577 0.497736 0.250000 Tb\n0.302577 0.002264 0.250000 Tb\n0.291453 0.032729 0.042314 Sn\n0.791453 0.467271 0.457686 Sn\n0.708547 0.967271 0.542314 Sn\n0.208547 0.532729 0.957686 Sn\n0.708547 0.967271 0.957686 Sn\n0.208547 0.532729 0.542314 Sn\n0.291453 0.032729 0.457686 Sn\n0.791453 0.467271 0.042314 Sn\n0.565376 0.619171 0.750000 Sn\n0.065376 0.880829 0.750000 Sn\n0.434624 0.380829 0.250000 Sn\n0.934624 0.119171 0.250000 Sn\n0.327173 0.144297 0.750000 Sn\n0.827173 0.355703 0.750000 Sn\n0.672827 0.855703 0.250000 Sn\n0.172827 0.644297 0.250000 Sn\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Tb",
"Sn"
],
"chemical_system": "Sn-Tb",
"density": 8.169888132266772,
"density_atomic": 0.03488094092158765,
"volume": 1032.0822503305742,
"volume_molar": 17.26484607607854,
"formula_full": "Tb20 Sn16",
"formula_reduced": "Tb5Sn4",
"formula_anonymous": "A4B5",
"energy": -183.65360299,
"energy_per_atom": -5.101488971944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.65360299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020283,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.496000Z",
"spacegroup": 62
},
{
"id": "mp-1200515",
"created_at": "2022-09-04T14:43:49.028496Z",
"structure_string": "Tb20 Si16\n1.0\n7.462482 0.000000 0.000000\n0.000000 7.718943 0.000000\n0.000000 0.000000 14.687919\nTb Si\n20 16\ndirect\n0.678600 0.181072 0.622673 Tb\n0.178600 0.318928 0.877327 Tb\n0.321400 0.818928 0.122673 Tb\n0.821400 0.681072 0.377327 Tb\n0.321400 0.818928 0.377327 Tb\n0.821400 0.681072 0.122673 Tb\n0.678600 0.181072 0.877327 Tb\n0.178600 0.318928 0.622673 Tb\n0.527523 0.683472 0.598132 Tb\n0.027523 0.816528 0.901868 Tb\n0.472477 0.316528 0.098132 Tb\n0.972477 0.183472 0.401868 Tb\n0.472477 0.316528 0.401868 Tb\n0.972477 0.183472 0.098132 Tb\n0.527523 0.683472 0.901868 Tb\n0.027523 0.816528 0.598132 Tb\n0.848393 0.513699 0.750000 Tb\n0.348393 0.986301 0.750000 Tb\n0.151607 0.486301 0.250000 Tb\n0.651607 0.013699 0.250000 Tb\n0.646827 0.972373 0.459919 Si\n0.146827 0.527627 0.040081 Si\n0.353173 0.027627 0.959919 Si\n0.853173 0.472373 0.540081 Si\n0.353173 0.027627 0.540081 Si\n0.853173 0.472373 0.959919 Si\n0.646827 0.972373 0.040081 Si\n0.146827 0.527627 0.459919 Si\n0.473659 0.397236 0.750000 Si\n0.973659 0.102764 0.750000 Si\n0.526341 0.602764 0.250000 Si\n0.026341 0.897236 0.250000 Si\n0.731955 0.875340 0.750000 Si\n0.231955 0.624660 0.750000 Si\n0.268045 0.124660 0.250000 Si\n0.768045 0.375340 0.250000 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 7.120328212251359,
"density_atomic": 0.04255015058650655,
"volume": 846.060460510245,
"volume_molar": 14.153042179619767,
"formula_full": "Tb20 Si16",
"formula_reduced": "Tb5Si4",
"formula_anonymous": "A4B5",
"energy": -204.90500343,
"energy_per_atom": -5.6918056508333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.04100343,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2577436,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.301000Z",
"spacegroup": 62
},
{
"id": "mp-1198980",
"created_at": "2022-09-04T14:41:16.177308Z",
"structure_string": "Tb20 Pt16\n1.0\n7.490707 0.000000 0.000000\n0.000000 7.605374 0.000000\n0.000000 0.000000 14.892344\nTb Pt\n20 16\ndirect\n0.626856 0.164900 0.618282 Tb\n0.126856 0.335100 0.881718 Tb\n0.373144 0.835100 0.118282 Tb\n0.873144 0.664900 0.381718 Tb\n0.373144 0.835100 0.381718 Tb\n0.873144 0.664900 0.118282 Tb\n0.626856 0.164900 0.881718 Tb\n0.126856 0.335100 0.618282 Tb\n0.471330 0.672624 0.599765 Tb\n0.971330 0.827376 0.900235 Tb\n0.528670 0.327376 0.099765 Tb\n0.028670 0.172624 0.400235 Tb\n0.528670 0.327376 0.400235 Tb\n0.028670 0.172624 0.099765 Tb\n0.471330 0.672624 0.900235 Tb\n0.971330 0.827376 0.599765 Tb\n0.790936 0.506757 0.750000 Tb\n0.290936 0.993243 0.750000 Tb\n0.209064 0.493243 0.250000 Tb\n0.709064 0.006757 0.250000 Tb\n0.709755 0.976721 0.455092 Pt\n0.209755 0.523279 0.044908 Pt\n0.290245 0.023279 0.955092 Pt\n0.790245 0.476721 0.544908 Pt\n0.290245 0.023279 0.544908 Pt\n0.790245 0.476721 0.955092 Pt\n0.709755 0.976721 0.044908 Pt\n0.209755 0.523279 0.455092 Pt\n0.422517 0.378809 0.750000 Pt\n0.922517 0.121191 0.750000 Pt\n0.577483 0.621191 0.250000 Pt\n0.077483 0.878809 0.250000 Pt\n0.659233 0.860329 0.750000 Pt\n0.159233 0.639671 0.750000 Pt\n0.340767 0.139671 0.250000 Pt\n0.840767 0.360329 0.250000 Pt\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Tb",
"Pt"
],
"chemical_system": "Pt-Tb",
"density": 12.33027975892941,
"density_atomic": 0.04243224946729778,
"volume": 848.4113015913741,
"volume_molar": 14.19236744599463,
"formula_full": "Tb20 Pt16",
"formula_reduced": "Tb5Pt4",
"formula_anonymous": "A4B5",
"energy": -230.94491045,
"energy_per_atom": -6.415136401388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.94491045,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.201652,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.266000Z",
"spacegroup": 62
},
{
"id": "mp-1198033",
"created_at": "2022-09-04T14:43:55.505008Z",
"structure_string": "Tb20 Pb16\n1.0\n-8.250454 0.000000 0.000000\n0.000000 0.000000 -8.330504\n0.000000 -15.815903 0.000000\nTb Pb\n20 16\ndirect\n0.376876 0.840768 0.880061 Tb\n0.876876 0.659232 0.619939 Tb\n0.623124 0.159232 0.380061 Tb\n0.123124 0.340768 0.119939 Tb\n0.623124 0.159232 0.119939 Tb\n0.123124 0.340768 0.380061 Tb\n0.376876 0.840768 0.619939 Tb\n0.876876 0.659232 0.880061 Tb\n0.533814 0.322541 0.899662 Tb\n0.033814 0.177459 0.600338 Tb\n0.466186 0.677459 0.399662 Tb\n0.966186 0.822541 0.100338 Tb\n0.466186 0.677459 0.100338 Tb\n0.966186 0.822541 0.399662 Tb\n0.533814 0.322541 0.600338 Tb\n0.033814 0.177459 0.899662 Tb\n0.208261 0.503687 0.750000 Tb\n0.708261 0.996313 0.750000 Tb\n0.791739 0.496313 0.250000 Tb\n0.291739 0.003687 0.250000 Tb\n0.281239 0.032045 0.042549 Pb\n0.781239 0.467955 0.457451 Pb\n0.718761 0.967955 0.542549 Pb\n0.218761 0.532045 0.957451 Pb\n0.718761 0.967955 0.957451 Pb\n0.218761 0.532045 0.542549 Pb\n0.281239 0.032045 0.457451 Pb\n0.781239 0.467955 0.042549 Pb\n0.571922 0.627193 0.750000 Pb\n0.071922 0.872807 0.750000 Pb\n0.428078 0.372807 0.250000 Pb\n0.928078 0.127193 0.250000 Pb\n0.343758 0.150326 0.750000 Pb\n0.843758 0.349674 0.750000 Pb\n0.656242 0.849674 0.250000 Pb\n0.156242 0.650326 0.250000 Pb\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Tb",
"Pb"
],
"chemical_system": "Pb-Tb",
"density": 9.919702998055918,
"density_atomic": 0.033117640198486176,
"volume": 1087.033972959389,
"volume_molar": 18.184087766842985,
"formula_full": "Tb20 Pb16",
"formula_reduced": "Tb5Pb4",
"formula_anonymous": "A4B5",
"energy": -171.59833685,
"energy_per_atom": -4.766620468055556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.59833685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3940182,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.652000Z",
"spacegroup": 62
},
{
"id": "mp-1201266",
"created_at": "2022-09-04T14:41:55.544016Z",
"structure_string": "Tb20 Ir12\n1.0\n10.960530 0.000000 0.000000\n0.000000 10.960530 0.000000\n0.000000 0.000000 6.398695\nTb Ir\n20 12\ndirect\n0.291055 0.088329 0.378548 Tb\n0.291055 0.911671 0.878548 Tb\n0.708945 0.088329 0.878548 Tb\n0.708945 0.911671 0.378548 Tb\n0.588329 0.791055 0.878548 Tb\n0.588329 0.208945 0.378548 Tb\n0.411671 0.791055 0.378548 Tb\n0.411671 0.208945 0.878548 Tb\n0.208945 0.411671 0.621452 Tb\n0.208945 0.588329 0.121452 Tb\n0.791055 0.411671 0.121452 Tb\n0.791055 0.588329 0.621452 Tb\n0.911671 0.708945 0.121452 Tb\n0.911671 0.291055 0.621452 Tb\n0.088329 0.708945 0.621452 Tb\n0.088329 0.291055 0.121452 Tb\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.846279 0.153721 0.250000 Ir\n0.846279 0.846279 0.750000 Ir\n0.153721 0.153721 0.750000 Ir\n0.153721 0.846279 0.250000 Ir\n0.653721 0.346279 0.750000 Ir\n0.653721 0.653721 0.250000 Ir\n0.346279 0.346279 0.250000 Ir\n0.346279 0.653721 0.750000 Ir\n0.500000 0.000000 0.120285 Ir\n0.500000 0.000000 0.620285 Ir\n0.000000 0.500000 0.879715 Ir\n0.000000 0.500000 0.379715 Ir\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Tb",
"Ir"
],
"chemical_system": "Ir-Tb",
"density": 11.848953586303056,
"density_atomic": 0.04162895015547823,
"volume": 768.6958205884255,
"volume_molar": 14.466232603772514,
"formula_full": "Tb20 Ir12",
"formula_reduced": "Tb5Ir3",
"formula_anonymous": "A3B5",
"energy": -224.01400466,
"energy_per_atom": -7.000437645625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.01400466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.701000Z",
"spacegroup": 130
},
{
"id": "mp-1217876",
"created_at": "2022-09-04T14:46:59.283479Z",
"structure_string": "Tb20 In40 Rh19\n1.0\n13.612234 0.000000 0.000000\n0.000000 13.612234 0.000000\n0.000000 0.000000 9.434923\nTb In Rh\n20 40 19\ndirect\n0.704124 0.798646 0.264645 Tb\n0.295876 0.798646 0.264645 Tb\n0.704124 0.201354 0.264645 Tb\n0.295876 0.201354 0.264645 Tb\n0.798646 0.704124 0.735355 Tb\n0.201354 0.704124 0.735355 Tb\n0.798646 0.295876 0.735355 Tb\n0.201354 0.295876 0.735355 Tb\n0.500000 0.000000 0.357254 Tb\n0.000000 0.500000 0.642746 Tb\n0.775176 0.000000 0.769672 Tb\n0.224824 0.000000 0.769672 Tb\n0.500000 0.722015 0.766178 Tb\n0.500000 0.277985 0.766178 Tb\n0.722015 0.500000 0.233822 Tb\n0.277985 0.500000 0.233822 Tb\n0.000000 0.775176 0.230328 Tb\n0.000000 0.224824 0.230328 Tb\n0.500000 0.000000 0.851416 Tb\n0.000000 0.500000 0.148584 Tb\n0.113728 0.000000 0.237158 In\n0.886272 0.000000 0.237158 In\n0.500000 0.385441 0.239054 In\n0.500000 0.614559 0.239054 In\n0.385441 0.500000 0.760946 In\n0.614559 0.500000 0.760946 In\n0.000000 0.113728 0.762842 In\n0.000000 0.886272 0.762842 In\n0.639851 0.639851 0.500000 In\n0.360149 0.639851 0.500000 In\n0.639851 0.360149 0.500000 In\n0.360149 0.360149 0.500000 In\n0.869066 0.869066 0.500000 In\n0.130934 0.869066 0.500000 In\n0.869066 0.130934 0.500000 In\n0.130934 0.130934 0.500000 In\n0.629369 0.870625 0.594801 In\n0.370631 0.870625 0.594801 In\n0.629369 0.129375 0.594801 In\n0.370631 0.129375 0.594801 In\n0.870625 0.629369 0.405199 In\n0.129375 0.629369 0.405199 In\n0.870625 0.370631 0.405199 In\n0.129375 0.370631 0.405199 In\n0.151138 0.151138 0.000000 In\n0.848862 0.151138 0.000000 In\n0.151138 0.848862 0.000000 In\n0.848862 0.848862 0.000000 In\n0.349204 0.349204 0.000000 In\n0.650796 0.349204 0.000000 In\n0.349204 0.650796 0.000000 In\n0.650796 0.650796 0.000000 In\n0.330577 0.000000 0.099188 In\n0.669423 0.000000 0.099188 In\n0.500000 0.169816 0.099225 In\n0.500000 0.830184 0.099225 In\n0.169816 0.500000 0.900775 In\n0.830184 0.500000 0.900775 In\n0.000000 0.330577 0.900812 In\n0.000000 0.669423 0.900812 In\n0.275919 0.000000 0.408140 Rh\n0.724081 0.000000 0.408140 Rh\n0.500000 0.221685 0.407423 Rh\n0.500000 0.778315 0.407423 Rh\n0.221685 0.500000 0.592577 Rh\n0.778315 0.500000 0.592577 Rh\n0.000000 0.275919 0.591860 Rh\n0.000000 0.724081 0.591860 Rh\n0.845184 0.654013 0.104233 Rh\n0.154816 0.654013 0.104233 Rh\n0.845184 0.345987 0.104233 Rh\n0.154816 0.345987 0.104233 Rh\n0.654013 0.845184 0.895767 Rh\n0.345987 0.845184 0.895767 Rh\n0.654013 0.154816 0.895767 Rh\n0.345987 0.154816 0.895767 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Tb",
"In",
"Rh"
],
"chemical_system": "In-Rh-Tb",
"density": 9.238584969253473,
"density_atomic": 0.04518870740061259,
"volume": 1748.2243804771688,
"volume_molar": 13.326649745945959,
"formula_full": "Tb20 In40 Rh19",
"formula_reduced": "Tb20In40Rh19",
"formula_anonymous": "A19B20C40",
"energy": -389.9060733,
"energy_per_atom": -4.935519915189873,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -389.9060733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9415663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.440000Z",
"spacegroup": 115
},
{
"id": "mp-1218321",
"created_at": "2022-09-04T14:40:52.972818Z",
"structure_string": "Tb20 In40 Ni19\n1.0\n13.564270 0.000000 0.000000\n0.000000 13.564270 0.000000\n0.000000 0.000000 9.048892\nTb In Ni\n20 40 19\ndirect\n0.702661 0.798399 0.263706 Tb\n0.297339 0.798399 0.263706 Tb\n0.702661 0.201601 0.263706 Tb\n0.297339 0.201601 0.263706 Tb\n0.798399 0.702661 0.736294 Tb\n0.201601 0.702661 0.736294 Tb\n0.798399 0.297339 0.736294 Tb\n0.201601 0.297339 0.736294 Tb\n0.500000 0.000000 0.361769 Tb\n0.000000 0.500000 0.638231 Tb\n0.776464 0.000000 0.767187 Tb\n0.223536 0.000000 0.767187 Tb\n0.500000 0.721632 0.764562 Tb\n0.500000 0.278368 0.764562 Tb\n0.721632 0.500000 0.235438 Tb\n0.278368 0.500000 0.235438 Tb\n0.000000 0.776464 0.232813 Tb\n0.000000 0.223536 0.232813 Tb\n0.500000 0.000000 0.839556 Tb\n0.000000 0.500000 0.160444 Tb\n0.153558 0.153558 0.000000 In\n0.846442 0.153558 0.000000 In\n0.153558 0.846442 0.000000 In\n0.846442 0.846442 0.000000 In\n0.347540 0.347540 0.000000 In\n0.652460 0.347540 0.000000 In\n0.347540 0.652460 0.000000 In\n0.652460 0.652460 0.000000 In\n0.116464 0.000000 0.234341 In\n0.883536 0.000000 0.234341 In\n0.500000 0.383864 0.238028 In\n0.500000 0.616136 0.238028 In\n0.383864 0.500000 0.761972 In\n0.616136 0.500000 0.761972 In\n0.000000 0.116464 0.765659 In\n0.000000 0.883536 0.765659 In\n0.332967 0.000000 0.093368 In\n0.667033 0.000000 0.093368 In\n0.500000 0.167145 0.093652 In\n0.500000 0.832855 0.093652 In\n0.167145 0.500000 0.906348 In\n0.832855 0.500000 0.906348 In\n0.000000 0.332967 0.906632 In\n0.000000 0.667033 0.906632 In\n0.631504 0.867378 0.591021 In\n0.368496 0.867378 0.591021 In\n0.631504 0.132622 0.591021 In\n0.368496 0.132622 0.591021 In\n0.867378 0.631504 0.408979 In\n0.132622 0.631504 0.408979 In\n0.867378 0.368496 0.408979 In\n0.132622 0.368496 0.408979 In\n0.637144 0.637144 0.500000 In\n0.362856 0.637144 0.500000 In\n0.637144 0.362856 0.500000 In\n0.362856 0.362856 0.500000 In\n0.868542 0.868542 0.500000 In\n0.131458 0.868542 0.500000 In\n0.868542 0.131458 0.500000 In\n0.131458 0.131458 0.500000 In\n0.275861 0.000000 0.412778 Ni\n0.724139 0.000000 0.412778 Ni\n0.500000 0.221294 0.408988 Ni\n0.500000 0.778706 0.408988 Ni\n0.221294 0.500000 0.591012 Ni\n0.778706 0.500000 0.591012 Ni\n0.000000 0.275861 0.587222 Ni\n0.000000 0.724139 0.587222 Ni\n0.843902 0.656063 0.098775 Ni\n0.156098 0.656063 0.098775 Ni\n0.843902 0.343937 0.098775 Ni\n0.156098 0.343937 0.098775 Ni\n0.656063 0.843902 0.901225 Ni\n0.343937 0.843902 0.901225 Ni\n0.656063 0.156098 0.901225 Ni\n0.343937 0.156098 0.901225 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Tb",
"In",
"Ni"
],
"chemical_system": "In-Ni-Tb",
"density": 8.863123013102546,
"density_atomic": 0.04745028601618662,
"volume": 1664.900396449684,
"volume_molar": 12.691474099746584,
"formula_full": "Tb20 In40 Ni19",
"formula_reduced": "Tb20In40Ni19",
"formula_anonymous": "A19B20C40",
"energy": -346.06336211,
"energy_per_atom": -4.380548887468355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -346.06336211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.387000Z",
"spacegroup": 115
}
]
}