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{
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"results": [
{
"id": "mp-1101151",
"created_at": "2022-09-04T14:48:04.226571Z",
"structure_string": "Na1 Ho1 O2\n1.0\n5.649261 -1.705187 0.000000\n5.649261 1.705187 0.000000\n5.134563 0.000000 2.908277\nNa Ho O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ho\n0.736867 0.736867 0.736867 O\n0.263133 0.263133 0.263133 O\n",
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"elements": [
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"Ho",
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],
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"density": 6.517517614044751,
"density_atomic": 0.07138888090899438,
"volume": 56.03113466786442,
"volume_molar": 8.435684497809886,
"formula_full": "Na1 Ho1 O2",
"formula_reduced": "NaHoO2",
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"updated_at": "2021-11-28T01:38:27.651000Z",
"spacegroup": 166
},
{
"id": "mp-541950",
"created_at": "2022-09-04T14:48:00.551983Z",
"structure_string": "Ga1 N5 O14\n1.0\n3.083272 6.643500 0.000000\n-3.083272 6.643500 0.000000\n0.000000 6.183780 6.772270\nGa N O\n1 5 14\ndirect\n0.006085 0.993915 0.000000 Ga\n0.872451 0.455335 0.683832 N\n0.544665 0.127549 0.316168 N\n0.143286 0.589018 0.976303 N\n0.410982 0.856714 0.023697 N\n0.153913 0.846087 0.500000 N\n0.986749 0.329235 0.812405 O\n0.670765 0.013251 0.187595 O\n0.747289 0.372430 0.710777 O\n0.627570 0.252711 0.289223 O\n0.902852 0.649387 0.548049 O\n0.350613 0.097148 0.451951 O\n0.076354 0.831768 0.850628 O\n0.168232 0.923646 0.149372 O\n0.133670 0.558398 0.132436 O\n0.441602 0.866330 0.867564 O\n0.205648 0.422243 0.935076 O\n0.577757 0.794352 0.064924 O\n0.338981 0.661019 0.500000 O\n0.968735 0.031265 0.500000 O\n",
"nsites": 20,
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"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 2.1770920531580487,
"density_atomic": 0.07208700084550801,
"volume": 277.4425314608753,
"volume_molar": 8.353989886340598,
"formula_full": "Ga1 N5 O14",
"formula_reduced": "GaN5O14",
"formula_anonymous": "AB5C14",
"energy": -131.68014418,
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"updated_at": "2021-11-28T01:38:30.935000Z",
"spacegroup": 5
},
{
"id": "mp-699606",
"created_at": "2022-09-04T14:48:15.301232Z",
"structure_string": "Sb6 W2 C12 O12 F34\n1.0\n16.911036 0.000000 0.000000\n0.000000 8.330289 0.000000\n0.000000 3.070879 7.809943\nSb W C O F\n6 2 12 12 34\ndirect\n0.685793 0.866737 0.119135 Sb\n0.236173 0.507229 0.430010 Sb\n0.185793 0.133263 0.880865 Sb\n0.736173 0.492771 0.569990 Sb\n0.493993 0.347867 0.099973 Sb\n0.993993 0.652133 0.900027 Sb\n0.448242 0.820117 0.736401 W\n0.948242 0.179883 0.263599 W\n0.366817 0.927979 0.537561 C\n0.570421 0.898912 0.677076 C\n0.978546 0.283279 0.457190 C\n0.070421 0.101088 0.322924 C\n0.948368 0.909836 0.341358 C\n0.835223 0.304423 0.173430 C\n0.928132 0.128218 0.031289 C\n0.448368 0.090164 0.658642 C\n0.335223 0.695577 0.826570 C\n0.478546 0.716721 0.542810 C\n0.866817 0.072021 0.462439 C\n0.428132 0.871782 0.968711 C\n0.634344 0.940078 0.642158 O\n0.452178 0.236857 0.619808 O\n0.273798 0.640168 0.869316 O\n0.134344 0.059922 0.357842 O\n0.321605 0.976822 0.428460 O\n0.414730 0.900100 0.089110 O\n0.773798 0.359832 0.130684 O\n0.996320 0.338307 0.558255 O\n0.952178 0.763143 0.380192 O\n0.914730 0.099900 0.910890 O\n0.496320 0.661693 0.441745 O\n0.821605 0.023178 0.571540 O\n0.787179 0.700636 0.555308 F\n0.142295 0.042340 0.722300 F\n0.281794 0.637983 0.215041 F\n0.389794 0.340684 0.016530 F\n0.454613 0.486319 0.219828 F\n0.322428 0.556358 0.553819 F\n0.644267 0.560664 0.661039 F\n0.502328 0.581582 0.892866 F\n0.679796 0.075881 0.926973 F\n0.099405 0.613256 0.848006 F\n0.029805 0.760513 0.050828 F\n0.689416 0.635740 0.327980 F\n0.822428 0.443642 0.446181 F\n0.287179 0.299364 0.444692 F\n0.599405 0.386744 0.151994 F\n0.289592 0.083934 0.819229 F\n0.144267 0.439336 0.338961 F\n0.189416 0.364260 0.672020 F\n0.529805 0.239487 0.949172 F\n0.002328 0.418418 0.107134 F\n0.179796 0.924119 0.073027 F\n0.889794 0.659316 0.983470 F\n0.781794 0.362017 0.784959 F\n0.642295 0.957660 0.277700 F\n0.729335 0.739866 0.993661 F\n0.679064 0.308073 0.543269 F\n0.082088 0.201564 0.923479 F\n0.179064 0.691927 0.456731 F\n0.789592 0.916066 0.180771 F\n0.482798 0.136652 0.292888 F\n0.982798 0.863348 0.707112 F\n0.582088 0.798436 0.076521 F\n0.954613 0.513681 0.780172 F\n0.229335 0.260134 0.006339 F\n",
"nsites": 66,
"nelements": 5,
"elements": [
"Sb",
"W",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Sb-W",
"density": 3.139773806518909,
"density_atomic": 0.059988194198744405,
"volume": 1100.2164822854666,
"volume_molar": 10.038876549689586,
"formula_full": "Sb6 W2 C12 O12 F34",
"formula_reduced": "Sb3WC6O6F17",
"formula_anonymous": "AB3C6D6E17",
"energy": -414.10222003,
"energy_per_atom": -6.274276061060606,
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"energy_uncorrected": -381.27422003,
"band_gap": 2.888,
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"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.428000Z",
"spacegroup": 4
},
{
"id": "mp-28229",
"created_at": "2022-09-04T14:47:58.285034Z",
"structure_string": "Bi4 Te3\n1.0\n14.297413 -2.255002 0.000000\n14.297413 2.255002 0.000000\n13.941752 0.000000 3.889550\nBi Te\n4 3\ndirect\n0.286129 0.286129 0.286129 Bi\n0.713871 0.713871 0.713871 Bi\n0.147195 0.147195 0.147195 Bi\n0.852805 0.852805 0.852805 Bi\n0.000000 0.000000 0.000000 Te\n0.579540 0.579540 0.579540 Te\n0.420460 0.420460 0.420460 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Bi",
"Te"
],
"chemical_system": "Bi-Te",
"density": 8.069002640435489,
"density_atomic": 0.02791028631741224,
"volume": 250.80358977302745,
"volume_molar": 21.576778867520968,
"formula_full": "Bi4 Te3",
"formula_reduced": "Bi4Te3",
"formula_anonymous": "A3B4",
"energy": -27.46282052,
"energy_per_atom": -3.9232600742857144,
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"energy_uncorrected": -26.19682052,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:25.115000Z",
"spacegroup": 166
},
{
"id": "mp-1080284",
"created_at": "2022-09-04T14:48:00.258150Z",
"structure_string": "Rb16 Mg8 Si40 O96\n1.0\n13.634821 0.000000 0.000000\n-0.000000 13.658398 0.000000\n0.000000 0.000000 13.807915\nRb Mg Si O\n16 8 40 96\ndirect\n0.646675 0.152979 0.354227 Rb\n0.146675 0.347021 0.645773 Rb\n0.353325 0.652979 0.145773 Rb\n0.853325 0.847021 0.854227 Rb\n0.353325 0.847021 0.645773 Rb\n0.853325 0.652979 0.354227 Rb\n0.646675 0.347021 0.854227 Rb\n0.146675 0.152979 0.145773 Rb\n0.899691 0.389209 0.108870 Rb\n0.399691 0.110791 0.891130 Rb\n0.100309 0.889209 0.391130 Rb\n0.600309 0.610791 0.608870 Rb\n0.100309 0.610791 0.891130 Rb\n0.600309 0.889209 0.108870 Rb\n0.899691 0.110791 0.608870 Rb\n0.399691 0.389209 0.391130 Rb\n0.868612 0.828606 0.564939 Mg\n0.368612 0.671394 0.435061 Mg\n0.131388 0.328606 0.935061 Mg\n0.631388 0.171394 0.064939 Mg\n0.131388 0.171394 0.435061 Mg\n0.631388 0.328606 0.564939 Mg\n0.868612 0.671394 0.064939 Mg\n0.368612 0.828606 0.935061 Mg\n0.607079 0.656843 0.899621 Si\n0.107079 0.843157 0.100379 Si\n0.392921 0.156843 0.600379 Si\n0.892921 0.343157 0.399621 Si\n0.392921 0.343157 0.100379 Si\n0.892921 0.156843 0.899621 Si\n0.607079 0.843157 0.399621 Si\n0.107079 0.656843 0.600379 Si\n0.104070 0.110696 0.860133 Si\n0.604070 0.389304 0.139867 Si\n0.895930 0.610696 0.639867 Si\n0.395930 0.889304 0.360133 Si\n0.895930 0.889304 0.139867 Si\n0.395930 0.610696 0.860133 Si\n0.104070 0.389304 0.360133 Si\n0.604070 0.110696 0.639867 Si\n0.141160 0.615407 0.384008 Si\n0.641160 0.884593 0.615992 Si\n0.858840 0.115407 0.115992 Si\n0.358840 0.384593 0.884008 Si\n0.858840 0.384593 0.615992 Si\n0.358840 0.115407 0.384008 Si\n0.141160 0.884593 0.884008 Si\n0.641160 0.615407 0.115992 Si\n0.426009 0.373245 0.678333 Si\n0.926009 0.126755 0.321667 Si\n0.573991 0.873245 0.821667 Si\n0.073991 0.626755 0.178333 Si\n0.573991 0.626755 0.321667 Si\n0.073991 0.873245 0.678333 Si\n0.426009 0.126755 0.178333 Si\n0.926009 0.373245 0.821667 Si\n0.322251 0.922001 0.149859 Si\n0.822251 0.577999 0.850141 Si\n0.677749 0.422001 0.350141 Si\n0.177749 0.077999 0.649859 Si\n0.677749 0.077999 0.850141 Si\n0.177749 0.422001 0.149859 Si\n0.322251 0.577999 0.649859 Si\n0.822251 0.922001 0.350141 Si\n0.983085 0.393612 0.338364 O\n0.483085 0.106388 0.661636 O\n0.016915 0.893612 0.161636 O\n0.516915 0.606388 0.838364 O\n0.016915 0.606388 0.661636 O\n0.516915 0.893612 0.338364 O\n0.983085 0.106388 0.838364 O\n0.483085 0.393612 0.161636 O\n0.643277 0.496570 0.105861 O\n0.143277 0.003430 0.894139 O\n0.356723 0.996570 0.394139 O\n0.856723 0.503430 0.605861 O\n0.356723 0.503430 0.894139 O\n0.856723 0.996570 0.105861 O\n0.643277 0.003430 0.605861 O\n0.143277 0.496570 0.394139 O\n0.913546 0.156084 0.016224 O\n0.413546 0.343916 0.983776 O\n0.086454 0.656084 0.483776 O\n0.586454 0.843916 0.516224 O\n0.086454 0.843916 0.983776 O\n0.586454 0.656084 0.016224 O\n0.913546 0.343916 0.516224 O\n0.413546 0.156084 0.483776 O\n0.253290 0.340042 0.866134 O\n0.753290 0.159958 0.133866 O\n0.746710 0.840042 0.633866 O\n0.246710 0.659958 0.366134 O\n0.746710 0.659958 0.133866 O\n0.246710 0.840042 0.866134 O\n0.253290 0.159958 0.366134 O\n0.753290 0.340042 0.633866 O\n0.123105 0.727847 0.130781 O\n0.623105 0.772153 0.869219 O\n0.876895 0.227847 0.369219 O\n0.376895 0.272153 0.630781 O\n0.876895 0.272153 0.869219 O\n0.376895 0.227847 0.130781 O\n0.123105 0.772153 0.630781 O\n0.623105 0.727847 0.369219 O\n0.843938 0.632898 0.745812 O\n0.343938 0.867102 0.254188 O\n0.156062 0.132898 0.754188 O\n0.656062 0.367102 0.245812 O\n0.156062 0.367102 0.254188 O\n0.656062 0.132898 0.745812 O\n0.843938 0.867102 0.245812 O\n0.343938 0.632898 0.754188 O\n0.470116 0.901683 0.866006 O\n0.970116 0.598317 0.133994 O\n0.529884 0.401683 0.633994 O\n0.029884 0.098317 0.366006 O\n0.529884 0.098317 0.133994 O\n0.029884 0.401683 0.866006 O\n0.470116 0.598317 0.366006 O\n0.970116 0.901683 0.633994 O\n0.159913 0.957938 0.660367 O\n0.659913 0.542062 0.339633 O\n0.840087 0.457938 0.839633 O\n0.340087 0.042062 0.160367 O\n0.840087 0.042062 0.339633 O\n0.340087 0.457938 0.660367 O\n0.159913 0.542062 0.160367 O\n0.659913 0.957938 0.839633 O\n0.387197 0.627242 0.567528 O\n0.887197 0.872758 0.432472 O\n0.612803 0.127242 0.932472 O\n0.112803 0.372758 0.067528 O\n0.612803 0.372758 0.432472 O\n0.112803 0.127242 0.567528 O\n0.387197 0.872758 0.067528 O\n0.887197 0.627242 0.932472 O\n0.702771 0.909479 0.370337 O\n0.202771 0.590521 0.629663 O\n0.297229 0.409479 0.129663 O\n0.797229 0.090521 0.870337 O\n0.297229 0.090521 0.629663 O\n0.797229 0.409479 0.370337 O\n0.702771 0.590521 0.870337 O\n0.202771 0.909479 0.129663 O\n0.627852 0.187907 0.557768 O\n0.127852 0.312093 0.442232 O\n0.372148 0.687907 0.942232 O\n0.872148 0.812093 0.057768 O\n0.372148 0.812093 0.442232 O\n0.872148 0.687907 0.557768 O\n0.627852 0.312093 0.057768 O\n0.127852 0.187907 0.942232 O\n0.436578 0.146436 0.296485 O\n0.936578 0.353564 0.703515 O\n0.563422 0.646436 0.203515 O\n0.063422 0.853564 0.796485 O\n0.563422 0.853564 0.703515 O\n0.063422 0.646436 0.296485 O\n0.436578 0.353564 0.796485 O\n0.936578 0.146436 0.203515 O\n",
"nsites": 160,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Mg-O-Rb-Si",
"density": 2.7259424881750096,
"density_atomic": 0.06222181470382804,
"volume": 2571.445412860265,
"volume_molar": 9.678503895563018,
"formula_full": "Rb16 Mg8 Si40 O96",
"formula_reduced": "Rb2MgSi5O12",
"formula_anonymous": "AB2C5D12",
"energy": -1218.6019388,
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"updated_at": "2021-11-28T01:38:30.959000Z",
"spacegroup": 61
},
{
"id": "mp-21867",
"created_at": "2022-09-04T14:48:10.300452Z",
"structure_string": "Na4 Fe4 Si8 O24\n1.0\n-0.027023 0.000000 5.363047\n-9.343462 -0.000006 -2.400807\n-0.000006 -8.907234 0.000000\nNa Fe Si O\n4 4 8 24\ndirect\n0.750000 0.500000 0.200707 Na\n0.250000 0.000000 0.700708 Na\n0.250000 0.500000 0.799293 Na\n0.750000 0.000000 0.299294 Na\n0.250003 0.000001 0.102058 Fe\n0.249996 0.500001 0.397930 Fe\n0.749998 0.500000 0.602063 Fe\n0.750001 0.000000 0.897926 Fe\n0.943955 0.709954 0.910960 Si\n0.443955 0.209954 0.410962 Si\n0.556045 0.290046 0.910960 Si\n0.056045 0.790046 0.410962 Si\n0.056045 0.290046 0.089039 Si\n0.556045 0.790045 0.589042 Si\n0.443954 0.709954 0.089039 Si\n0.943955 0.209954 0.589041 Si\n0.022323 0.885846 0.921987 O\n0.522320 0.385846 0.421984 O\n0.477678 0.114155 0.921987 O\n0.977679 0.614155 0.421984 O\n0.977680 0.114154 0.078018 O\n0.477678 0.614154 0.578015 O\n0.522321 0.885846 0.078018 O\n0.022322 0.385846 0.578014 O\n0.941565 0.640121 0.745898 O\n0.441565 0.140122 0.245900 O\n0.558435 0.359879 0.745898 O\n0.058436 0.859878 0.245899 O\n0.058434 0.359877 0.254101 O\n0.558435 0.859880 0.754104 O\n0.441564 0.640122 0.254101 O\n0.941565 0.140121 0.754104 O\n0.660561 0.649209 0.992159 O\n0.160558 0.149209 0.492156 O\n0.839440 0.350791 0.992159 O\n0.339441 0.850791 0.492157 O\n0.339442 0.350791 0.007845 O\n0.839440 0.850791 0.507843 O\n0.160558 0.649209 0.007845 O\n0.660560 0.149208 0.507843 O\n",
"nsites": 40,
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"elements": [
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],
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"volume": 446.9142563275168,
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"formula_full": "Na4 Fe4 Si8 O24",
"formula_reduced": "NaFe(SiO3)2",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:31.610000Z",
"spacegroup": 15
},
{
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