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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10191",
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"results": [
{
"id": "mp-1187081",
"created_at": "2022-09-04T14:48:18.681945Z",
"structure_string": "Si1 Sn3\n1.0\n4.889904 0.000000 0.000000\n-2.072728 4.553863 0.000000\n-1.812027 -1.859236 4.537675\nSi Sn\n1 3\ndirect\n0.000000 0.500000 0.000000 Si\n0.506749 0.752962 0.772589 Sn\n0.493251 0.247038 0.227411 Sn\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 6.314083156213393,
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"volume": 101.04473317165954,
"volume_molar": 15.212640155409376,
"formula_full": "Si1 Sn3",
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},
{
"id": "mp-1232139",
"created_at": "2022-09-04T14:41:22.586999Z",
"structure_string": "Ho2 Mg2 S6\n1.0\n6.001210 3.539737 0.000000\n-6.001210 3.539737 0.000000\n0.000000 2.975818 5.945942\nHo Mg S\n2 2 6\ndirect\n0.197927 0.197927 0.678663 Ho\n0.802073 0.802073 0.321337 Ho\n0.337526 0.662474 0.000000 Mg\n0.662474 0.337526 0.000000 Mg\n0.113002 0.776221 0.801025 S\n0.886998 0.223779 0.198975 S\n0.223779 0.886998 0.198975 S\n0.776221 0.113002 0.801025 S\n0.467249 0.467249 0.256609 S\n0.532751 0.532751 0.743391 S\n",
"nsites": 10,
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"elements": [
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"volume": 252.61578467861935,
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"formula_full": "Ho2 Mg2 S6",
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"spacegroup": 12
},
{
"id": "mp-756795",
"created_at": "2022-09-04T14:44:12.936275Z",
"structure_string": "Rb6 Pb2 O6\n1.0\n6.210079 3.934481 0.000000\n-6.210079 3.934481 0.000000\n0.000000 1.033225 7.237259\nRb Pb O\n6 2 6\ndirect\n0.639077 0.639077 0.642760 Rb\n0.195895 0.804105 0.500000 Rb\n0.804105 0.195895 0.500000 Rb\n0.743728 0.256272 0.000000 Rb\n0.256272 0.743728 0.000000 Rb\n0.360923 0.360923 0.357240 Rb\n0.805874 0.805874 0.141374 Pb\n0.194126 0.194126 0.858626 Pb\n0.916921 0.916921 0.827154 O\n0.838489 0.547363 0.278415 O\n0.547363 0.838489 0.278415 O\n0.452637 0.161511 0.721585 O\n0.161511 0.452637 0.721585 O\n0.083079 0.083079 0.172846 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Rb",
"density": 4.8042134981208235,
"density_atomic": 0.03958579284298882,
"volume": 353.66223573009955,
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"formula_full": "Rb6 Pb2 O6",
"formula_reduced": "Rb3PbO3",
"formula_anonymous": "AB3C3",
"energy": -62.76182673,
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"updated_at": "2021-11-28T01:36:33.809000Z",
"spacegroup": 12
},
{
"id": "mp-510404",
"created_at": "2022-09-04T14:41:32.200908Z",
"structure_string": "Gd1 Se1\n1.0\n0.000000 2.934190 2.934190\n2.934190 0.000000 2.934190\n2.934190 2.934190 0.000000\nGd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
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"elements": [
"Gd",
"Se"
],
"chemical_system": "Gd-Se",
"density": 7.763412874901705,
"density_atomic": 0.03958542409450146,
"volume": 50.52364716935813,
"volume_molar": 15.21302574812251,
"formula_full": "Gd1 Se1",
"formula_reduced": "GdSe",
"formula_anonymous": "AB",
"energy": -21.73964027,
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"updated_at": "2021-11-28T01:35:25.783000Z",
"spacegroup": 225
},
{
"id": "mp-558865",
"created_at": "2022-09-04T14:40:44.073858Z",
"structure_string": "Se8 S32 N24 Cl24\n1.0\n14.725010 0.000000 0.000000\n0.000000 10.708722 0.000000\n0.000000 2.248847 14.098279\nSe S N Cl\n8 32 24 24\ndirect\n0.375145 0.785307 0.785916 Se\n0.624855 0.214693 0.214084 Se\n0.875145 0.214693 0.714084 Se\n0.374191 0.126092 0.608948 Se\n0.874191 0.873908 0.891052 Se\n0.125809 0.126092 0.108948 Se\n0.124855 0.785307 0.285916 Se\n0.625809 0.873908 0.391052 Se\n0.890861 0.234345 0.286010 S\n0.616177 0.843913 0.808925 S\n0.369771 0.513853 0.328055 S\n0.847819 0.596938 0.425332 S\n0.351430 0.247035 0.915100 S\n0.648570 0.752965 0.084900 S\n0.148812 0.668612 0.987579 S\n0.869771 0.486147 0.171945 S\n0.883823 0.843913 0.308925 S\n0.874170 0.932390 0.500369 S\n0.851188 0.331388 0.012421 S\n0.632541 0.149555 0.594640 S\n0.625830 0.932390 0.000369 S\n0.130229 0.513853 0.828055 S\n0.351188 0.668612 0.487579 S\n0.132541 0.850445 0.905360 S\n0.867459 0.149555 0.094640 S\n0.148570 0.247035 0.415100 S\n0.609139 0.234345 0.786010 S\n0.367459 0.850445 0.405360 S\n0.347819 0.403062 0.074668 S\n0.851430 0.752965 0.584900 S\n0.383823 0.156087 0.191075 S\n0.125830 0.067610 0.499631 S\n0.390861 0.765655 0.213990 S\n0.630229 0.486147 0.671945 S\n0.152181 0.403062 0.574668 S\n0.652181 0.596938 0.925332 S\n0.109139 0.765655 0.713990 S\n0.374170 0.067610 0.999631 S\n0.648812 0.331388 0.512421 S\n0.116177 0.156087 0.691075 S\n0.643782 0.437644 0.576288 N\n0.845104 0.646201 0.521506 N\n0.885719 0.919212 0.392875 N\n0.856218 0.437644 0.076288 N\n0.154896 0.353799 0.478494 N\n0.635548 0.696548 0.832290 N\n0.345104 0.353799 0.978494 N\n0.882646 0.160116 0.201776 N\n0.617354 0.160116 0.701776 N\n0.117354 0.839884 0.798224 N\n0.364452 0.303452 0.167710 N\n0.143782 0.562356 0.923712 N\n0.616390 0.383771 0.764233 N\n0.614281 0.919212 0.892875 N\n0.382646 0.839884 0.298224 N\n0.114281 0.080788 0.607125 N\n0.883610 0.383771 0.264233 N\n0.356218 0.562356 0.423712 N\n0.116390 0.616229 0.735767 N\n0.654896 0.646201 0.021506 N\n0.385719 0.080788 0.107125 N\n0.864452 0.696548 0.332290 N\n0.135548 0.303452 0.667710 N\n0.383610 0.616229 0.235767 N\n0.850117 0.958981 0.699769 Cl\n0.113577 0.585502 0.253852 Cl\n0.105564 0.173279 0.949151 Cl\n0.904079 0.674796 0.862383 Cl\n0.327022 0.873025 0.604592 Cl\n0.411053 0.732196 0.944986 Cl\n0.588947 0.267804 0.055014 Cl\n0.350117 0.041019 0.800231 Cl\n0.595921 0.674796 0.362383 Cl\n0.894436 0.826721 0.050849 Cl\n0.386423 0.585502 0.753852 Cl\n0.095921 0.325204 0.137617 Cl\n0.088947 0.732196 0.444986 Cl\n0.672978 0.126975 0.395408 Cl\n0.404079 0.325204 0.637617 Cl\n0.172978 0.873025 0.104592 Cl\n0.613577 0.414498 0.246148 Cl\n0.911053 0.267804 0.555014 Cl\n0.149883 0.041019 0.300231 Cl\n0.886423 0.414498 0.746148 Cl\n0.394436 0.173279 0.449151 Cl\n0.605564 0.826721 0.550849 Cl\n0.649883 0.958981 0.199769 Cl\n0.827022 0.126975 0.895408 Cl\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Se",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S-Se",
"density": 2.124909283804062,
"density_atomic": 0.0395843327361997,
"volume": 2223.101765702479,
"volume_molar": 15.213445178255533,
"formula_full": "Se8 S32 N24 Cl24",
"formula_reduced": "SeS4(NCl)3",
"formula_anonymous": "AB3C3D4",
"energy": -414.01979402,
"energy_per_atom": -4.704770386590909,
"energy_above_hull": null,
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"energy_uncorrected": -390.61979402,
"band_gap": 0.9654999999999998,
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"updated_at": "2021-11-28T01:35:11.852000Z",
"spacegroup": 14
},
{
"id": "mp-1224896",
"created_at": "2022-09-04T14:45:12.901623Z",
"structure_string": "Fe2 Sb12 Pd2\n1.0\n4.642544 6.564487 0.000000\n-4.642544 6.564487 0.000000\n0.000000 6.564066 6.631605\nFe Sb Pd\n2 12 2\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.672048 0.672048 0.489368 Sb\n0.327952 0.327952 0.510632 Sb\n0.652154 0.652154 0.196736 Sb\n0.347846 0.347846 0.803264 Sb\n0.167450 0.852686 0.651548 Sb\n0.832550 0.147314 0.348452 Sb\n0.852686 0.167450 0.651548 Sb\n0.147314 0.832550 0.348452 Sb\n0.818964 0.493524 0.833320 Sb\n0.181036 0.506476 0.166680 Sb\n0.506476 0.181036 0.166680 Sb\n0.493524 0.818964 0.833320 Sb\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"Sb",
"Pd"
],
"chemical_system": "Fe-Pd-Sb",
"density": 7.335673081370819,
"density_atomic": 0.039583529476100644,
"volume": 404.2085233874944,
"volume_molar": 15.213753901445271,
"formula_full": "Fe2 Sb12 Pd2",
"formula_reduced": "FeSb6Pd",
"formula_anonymous": "ABC6",
"energy": -82.18305321,
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"updated_at": "2021-11-28T01:36:52.447000Z",
"spacegroup": 12
},
{
"id": "mp-1192963",
"created_at": "2022-09-04T14:41:24.453761Z",
"structure_string": "Ce6 Mg23 P1\n1.0\n0.000000 7.236455 7.236455\n7.236455 0.000000 7.236455\n7.236455 7.236455 0.000000\nCe Mg P\n6 23 1\ndirect\n0.801151 0.801151 0.198849 Ce\n0.198849 0.801151 0.198849 Ce\n0.801151 0.198849 0.198849 Ce\n0.198849 0.198849 0.801151 Ce\n0.801151 0.198849 0.801151 Ce\n0.198849 0.801151 0.801151 Ce\n0.829537 0.829537 0.511388 Mg\n0.829537 0.511388 0.829537 Mg\n0.511388 0.829537 0.829537 Mg\n0.829537 0.829537 0.829537 Mg\n0.170463 0.170463 0.488612 Mg\n0.170463 0.488612 0.170463 Mg\n0.488612 0.170463 0.170463 Mg\n0.170463 0.170463 0.170463 Mg\n0.620562 0.620562 0.138314 Mg\n0.620562 0.138314 0.620562 Mg\n0.138314 0.620562 0.620562 Mg\n0.620562 0.620562 0.620562 Mg\n0.379438 0.379438 0.861686 Mg\n0.379438 0.861686 0.379438 Mg\n0.861686 0.379438 0.379438 Mg\n0.379438 0.379438 0.379438 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 30,
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"elements": [
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"Mg",
"P"
],
"chemical_system": "Ce-Mg-P",
"density": 3.134624011610731,
"density_atomic": 0.03958345164953794,
"volume": 757.8924714704659,
"volume_molar": 15.2137838137981,
"formula_full": "Ce6 Mg23 P1",
"formula_reduced": "Ce6Mg23P",
"formula_anonymous": "AB6C23",
"energy": -81.57200698,
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"updated_at": "2021-11-28T01:35:17.512000Z",
"spacegroup": 225
},
{
"id": "mp-863035",
"created_at": "2022-09-04T14:47:15.366274Z",
"structure_string": "Pu2 Sb6\n1.0\n3.158898 -5.471371 0.000000\n3.158898 5.471371 0.000000\n0.000000 0.000000 5.846775\nPu Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.172646 0.345293 0.250000 Sb\n0.654707 0.827354 0.250000 Sb\n0.172646 0.827354 0.250000 Sb\n0.827354 0.654707 0.750000 Sb\n0.345293 0.172646 0.750000 Sb\n0.827354 0.172646 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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],
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"density": 10.011931543165831,
"density_atomic": 0.03958328588055719,
"volume": 202.10550544338457,
"volume_molar": 15.213847526887601,
"formula_full": "Pu2 Sb6",
"formula_reduced": "PuSb3",
"formula_anonymous": "AB3",
"energy": -57.19435255,
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"updated_at": "2021-11-28T01:38:01.285000Z",
"spacegroup": 194
},
{
"id": "mp-1187000",
"created_at": "2022-09-04T14:47:33.563868Z",
"structure_string": "Sm2 Ga1 Ag1\n1.0\n0.000000 3.696999 3.696999\n3.696999 0.000000 3.696999\n3.696999 3.696999 0.000000\nSm Ga Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ag"
],
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"density": 7.859259936065423,
"density_atomic": 0.03958056564075495,
"volume": 101.05969773916817,
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"formula_full": "Sm2 Ga1 Ag1",
"formula_reduced": "Sm2GaAg",
"formula_anonymous": "ABC2",
"energy": -17.00811624,
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"updated_at": "2021-11-28T01:38:09.531000Z",
"spacegroup": 225
},
{
"id": "mp-973893",
"created_at": "2022-09-04T14:42:38.404415Z",
"structure_string": "Lu2 Tl1 Hg1\n1.0\n0.000000 3.697003 3.697003\n3.697003 0.000000 3.697003\n3.697003 3.697003 0.000000\nLu Tl Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250000 0.250000 0.250000 Lu\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Lu-Tl",
"density": 12.404044564609801,
"density_atomic": 0.03958043716742836,
"volume": 101.06002576676164,
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"formula_full": "Lu2 Tl1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:53.275000Z",
"spacegroup": 225
},
{
"id": "mp-1023003",
"created_at": "2022-09-04T14:47:56.136712Z",
"structure_string": "K2 Mg12 Mn2\n1.0\n5.220916 0.000000 0.000000\n0.000000 6.769214 0.000000\n0.000000 0.000000 11.438273\nK Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.834388 K\n0.500000 0.000000 0.334388 K\n0.500000 0.246797 0.081269 Mg\n0.500000 0.753203 0.081269 Mg\n0.000000 0.225518 0.918535 Mg\n0.000000 0.774482 0.918535 Mg\n0.000000 0.500000 0.172219 Mg\n0.000000 0.500000 0.655940 Mg\n0.500000 0.746797 0.581269 Mg\n0.500000 0.253203 0.581269 Mg\n0.000000 0.725518 0.418535 Mg\n0.000000 0.274482 0.418535 Mg\n0.000000 0.000000 0.672219 Mg\n0.000000 0.000000 0.155940 Mg\n0.500000 0.500000 0.337848 Mn\n0.500000 0.000000 0.837848 Mn\n",
"nsites": 16,
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"elements": [
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"Mg",
"Mn"
],
"chemical_system": "K-Mg-Mn",
"density": 1.9706205306469435,
"density_atomic": 0.03957988928943873,
"volume": 404.24569869298114,
"volume_molar": 15.215153119710504,
"formula_full": "K2 Mg12 Mn2",
"formula_reduced": "KMg6Mn",
"formula_anonymous": "ABC6",
"energy": -34.59088222,
"energy_per_atom": -2.16193013875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.59088222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.2070099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.611000Z",
"spacegroup": 38
},
{
"id": "mp-1212299",
"created_at": "2022-09-04T14:43:12.811338Z",
"structure_string": "Ho16 Cd4 Ni4\n1.0\n0.000000 6.717959 6.717959\n6.717959 0.000000 6.717959\n6.717959 6.717959 0.000000\nHo Cd Ni\n16 4 4\ndirect\n0.349188 0.349188 0.349188 Ho\n0.349188 0.349188 0.952435 Ho\n0.349188 0.952435 0.349188 Ho\n0.952435 0.349188 0.349188 Ho\n0.810877 0.189123 0.189123 Ho\n0.189123 0.810877 0.810877 Ho\n0.189123 0.810877 0.189123 Ho\n0.810877 0.189123 0.810877 Ho\n0.189123 0.189123 0.810877 Ho\n0.810877 0.810877 0.189123 Ho\n0.936745 0.563255 0.563255 Ho\n0.563255 0.936745 0.936745 Ho\n0.563255 0.936745 0.563255 Ho\n0.936745 0.563255 0.936745 Ho\n0.563255 0.563255 0.936745 Ho\n0.936745 0.936745 0.563255 Ho\n0.581675 0.581675 0.581675 Cd\n0.581675 0.581675 0.254976 Cd\n0.581675 0.254976 0.581675 Cd\n0.254976 0.581675 0.581675 Cd\n0.142502 0.142502 0.142502 Ni\n0.142502 0.142502 0.572494 Ni\n0.142502 0.572494 0.142502 Ni\n0.572494 0.142502 0.142502 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Cd",
"Ni"
],
"chemical_system": "Cd-Ho-Ni",
"density": 9.100745253189933,
"density_atomic": 0.039579399342508086,
"volume": 606.3760541768535,
"volume_molar": 15.21534146560999,
"formula_full": "Ho16 Cd4 Ni4",
"formula_reduced": "Ho4CdNi",
"formula_anonymous": "ABC4",
"energy": -107.35144939,
"energy_per_atom": -4.472977057916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.35144939,
"band_gap": 0.0156,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.103000Z",
"spacegroup": 216
}
]
}