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{
"id": "mp-1388958",
"created_at": "2022-09-04T14:44:59.528060Z",
"structure_string": "Mg2 W2 F8\n1.0\n-2.523923 3.008090 5.565492\n2.523923 -3.008090 5.565492\n2.523923 3.008090 -5.565492\nMg W F\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.505613 0.399201 0.621233 F\n0.222031 0.115620 0.621233 F\n0.494387 0.600799 0.378767 F\n0.994387 0.615620 0.893589 F\n0.777969 0.884380 0.378767 F\n0.277969 0.899201 0.893589 F\n0.005613 0.384380 0.106411 F\n0.722031 0.100799 0.106411 F\n",
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"spacegroup": 72
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{
"id": "mp-1030682",
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"structure_string": "Te6 Mo2 W2 Se2\n1.0\n1.750164 -3.031372 0.000000\n1.750164 3.031372 0.000000\n0.000000 0.000000 39.608307\nTe Mo W Se\n6 2 2 2\ndirect\n0.000000 0.000000 0.328008 Te\n0.000000 0.000000 0.704046 Te\n0.333333 0.666667 0.423155 Te\n0.333333 0.666667 0.516165 Te\n0.000000 0.000000 0.235561 Te\n0.000000 0.000000 0.611020 Te\n0.000000 0.000000 0.093915 Mo\n0.333333 0.666667 0.281776 Mo\n0.000000 0.000000 0.469662 W\n0.333333 0.666667 0.657551 W\n0.333333 0.666667 0.053078 Se\n0.333333 0.666667 0.134810 Se\n",
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"Se"
],
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"updated_at": "2021-11-28T01:36:54.134000Z",
"spacegroup": 156
},
{
"id": "mp-1374666",
"created_at": "2022-09-04T14:44:58.443334Z",
"structure_string": "Mg4 Fe8 O16\n1.0\n2.940035 0.000000 0.000000\n0.000000 8.999439 0.000000\n0.000000 0.000000 10.443705\nMg Fe O\n4 8 16\ndirect\n0.500000 0.248676 0.407067 Mg\n0.000000 0.754607 0.099345 Mg\n0.500000 0.748676 0.592933 Mg\n0.000000 0.254607 0.900655 Mg\n0.000000 0.417295 0.646224 Fe\n0.500000 0.082888 0.150283 Fe\n0.000000 0.917295 0.353776 Fe\n0.500000 0.582888 0.849717 Fe\n0.500000 0.567798 0.367378 Fe\n0.000000 0.433289 0.134880 Fe\n0.500000 0.067798 0.632622 Fe\n0.000000 0.933289 0.865120 Fe\n0.000000 0.908922 0.674504 O\n0.500000 0.091608 0.824625 O\n0.000000 0.408922 0.325496 O\n0.500000 0.591608 0.175375 O\n0.000000 0.026209 0.036593 O\n0.500000 0.967326 0.464221 O\n0.000000 0.526209 0.963407 O\n0.500000 0.467326 0.535779 O\n0.000000 0.623248 0.711837 O\n0.500000 0.374079 0.773729 O\n0.000000 0.123248 0.288163 O\n0.500000 0.874079 0.226271 O\n0.500000 0.791914 0.931298 O\n0.000000 0.211949 0.570249 O\n0.000000 0.711949 0.429751 O\n0.500000 0.291914 0.068702 O\n",
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"elements": [
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],
"chemical_system": "Fe-Mg-O",
"density": 4.807291764828253,
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"volume": 276.32649864160817,
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"formula_full": "Mg4 Fe8 O16",
"formula_reduced": "Mg(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -208.17307778,
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"spacegroup": 26
},
{
"id": "mp-1033732",
"created_at": "2022-09-04T14:45:08.422627Z",
"structure_string": "Mg14 B1 Sb1 O16\n1.0\n8.713572 0.000000 -0.000000\n0.000000 8.663986 0.000000\n-0.000000 0.000000 4.328699\nMg B Sb O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.231169 0.500000 Mg\n0.000000 0.768831 0.500000 Mg\n0.500000 0.245937 0.500000 Mg\n0.500000 0.754063 0.500000 Mg\n0.248143 0.000000 0.500000 Mg\n0.261887 0.500000 0.500000 Mg\n0.751857 0.000000 0.500000 Mg\n0.738113 0.500000 0.500000 Mg\n0.253402 0.238247 0.000000 Mg\n0.253402 0.761753 0.000000 Mg\n0.746598 0.238247 -0.000000 Mg\n0.746598 0.761753 -0.000000 Mg\n0.000000 0.000000 0.000000 B\n0.000000 0.500000 0.000000 Sb\n0.268867 0.000000 0.000000 O\n0.263813 0.500000 -0.000000 O\n0.731133 0.000000 -0.000000 O\n0.736187 0.500000 0.000000 O\n0.248667 0.250614 0.500000 O\n0.248667 0.749386 0.500000 O\n0.751333 0.250614 0.500000 O\n0.751333 0.749386 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.237758 -0.000000 O\n0.000000 0.762242 0.000000 O\n0.500000 0.251886 -0.000000 O\n0.500000 0.748114 0.000000 O\n",
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"elements": [
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"Sb",
"O"
],
"chemical_system": "B-Mg-O-Sb",
"density": 3.7034357845471604,
"density_atomic": 0.09792162784587533,
"volume": 326.79195295207614,
"volume_molar": 6.149959812227188,
"formula_full": "Mg14 B1 Sb1 O16",
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"formula_anonymous": "ABC14D16",
"energy": -195.99244275,
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"updated_at": "2021-11-28T01:36:47.705000Z",
"spacegroup": 47
},
{
"id": "mp-1198316",
"created_at": "2022-09-04T14:44:54.051803Z",
"structure_string": "Gd24 Si16 B8 O80\n1.0\n7.026987 0.000000 0.000000\n0.000000 9.729099 0.000000\n0.000000 0.000000 22.973241\nGd Si B O\n24 16 8 80\ndirect\n0.822594 0.365299 0.163934 Gd\n0.677406 0.865299 0.836066 Gd\n0.322594 0.634701 0.336066 Gd\n0.177406 0.134701 0.663934 Gd\n0.177406 0.634701 0.836066 Gd\n0.322594 0.134701 0.163934 Gd\n0.677406 0.365299 0.663934 Gd\n0.822594 0.865299 0.336066 Gd\n0.096160 0.766657 0.182119 Gd\n0.403840 0.266657 0.817881 Gd\n0.596160 0.233343 0.317881 Gd\n0.903840 0.733343 0.682119 Gd\n0.903840 0.233343 0.817881 Gd\n0.596160 0.733343 0.182119 Gd\n0.403840 0.766657 0.682119 Gd\n0.096160 0.266657 0.317881 Gd\n0.865756 0.009591 0.071926 Gd\n0.634244 0.509591 0.928074 Gd\n0.365756 0.990409 0.428074 Gd\n0.134244 0.490409 0.571926 Gd\n0.134244 0.990409 0.928074 Gd\n0.365756 0.490409 0.071926 Gd\n0.634244 0.009591 0.571926 Gd\n0.865756 0.509591 0.428074 Gd\n0.859100 0.622035 0.078482 Si\n0.640900 0.122035 0.921518 Si\n0.359100 0.377965 0.421518 Si\n0.140900 0.877965 0.578482 Si\n0.140900 0.377965 0.921518 Si\n0.359100 0.877965 0.078482 Si\n0.640900 0.622035 0.578482 Si\n0.859100 0.122035 0.421518 Si\n0.815679 0.062037 0.220732 Si\n0.684321 0.562037 0.779268 Si\n0.315679 0.937963 0.279268 Si\n0.184321 0.437963 0.720732 Si\n0.184321 0.937963 0.779268 Si\n0.315679 0.437963 0.220732 Si\n0.684321 0.062037 0.720732 Si\n0.815679 0.562037 0.279268 Si\n0.661744 0.257147 0.028688 B\n0.838256 0.757147 0.971312 B\n0.161744 0.742853 0.471312 B\n0.338256 0.242853 0.528688 B\n0.338256 0.742853 0.971312 B\n0.161744 0.242853 0.028688 B\n0.838256 0.257147 0.528688 B\n0.661744 0.757147 0.471312 B\n0.871356 0.098692 0.289061 O\n0.628644 0.598692 0.710939 O\n0.371356 0.901308 0.210939 O\n0.128644 0.401308 0.789061 O\n0.128644 0.901308 0.710939 O\n0.371356 0.401308 0.289061 O\n0.628644 0.098692 0.789061 O\n0.871356 0.598692 0.210939 O\n0.856877 0.275136 0.390055 O\n0.643123 0.775136 0.609945 O\n0.356877 0.724864 0.109945 O\n0.143123 0.224864 0.890055 O\n0.143123 0.724864 0.609945 O\n0.356877 0.224864 0.390055 O\n0.643123 0.275136 0.890055 O\n0.856877 0.775136 0.109945 O\n0.798321 0.393303 0.278819 O\n0.701679 0.893303 0.721181 O\n0.298321 0.606697 0.221181 O\n0.201679 0.106697 0.778819 O\n0.201679 0.606697 0.721181 O\n0.298321 0.106697 0.278819 O\n0.701679 0.393303 0.778819 O\n0.798321 0.893303 0.221181 O\n0.162631 0.363735 0.993283 O\n0.337369 0.863735 0.006717 O\n0.662631 0.636265 0.506717 O\n0.837369 0.136265 0.493283 O\n0.837369 0.636265 0.006717 O\n0.662631 0.136265 0.993283 O\n0.337369 0.363735 0.493283 O\n0.162631 0.863735 0.506717 O\n0.582196 0.374682 0.008882 O\n0.917804 0.874682 0.991118 O\n0.082196 0.625318 0.491118 O\n0.417804 0.125318 0.508882 O\n0.417804 0.625318 0.991118 O\n0.082196 0.125318 0.008882 O\n0.917804 0.374682 0.508882 O\n0.582196 0.874682 0.491118 O\n0.672385 0.547152 0.107223 O\n0.827615 0.047152 0.892777 O\n0.172385 0.452848 0.392777 O\n0.327615 0.952848 0.607223 O\n0.327615 0.452848 0.892777 O\n0.172385 0.952848 0.107223 O\n0.827615 0.547152 0.607223 O\n0.672385 0.047152 0.392777 O\n0.624036 0.156260 0.211461 O\n0.875964 0.656260 0.788539 O\n0.124036 0.843740 0.288539 O\n0.375964 0.343740 0.711461 O\n0.375964 0.843740 0.788539 O\n0.124036 0.343740 0.211461 O\n0.875964 0.156260 0.711461 O\n0.624036 0.656260 0.288539 O\n0.965546 0.112291 0.170980 O\n0.534454 0.612291 0.829020 O\n0.465546 0.887709 0.329020 O\n0.034454 0.387709 0.670980 O\n0.034454 0.887709 0.829020 O\n0.465546 0.387709 0.170980 O\n0.534454 0.112291 0.670980 O\n0.965546 0.612291 0.329020 O\n0.746514 0.239593 0.081794 O\n0.753486 0.739593 0.918206 O\n0.246514 0.760407 0.418206 O\n0.253486 0.260407 0.581794 O\n0.253486 0.760407 0.918206 O\n0.246514 0.260407 0.081794 O\n0.753486 0.239593 0.581794 O\n0.746514 0.739593 0.418206 O\n0.042734 0.534154 0.100200 O\n0.457266 0.034154 0.899800 O\n0.542734 0.465846 0.399800 O\n0.957266 0.965846 0.600200 O\n0.957266 0.465846 0.899800 O\n0.542734 0.965846 0.100200 O\n0.457266 0.534154 0.600200 O\n0.042734 0.034154 0.399800 O\n",
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"volume": 1570.5943879359208,
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"formula_full": "Gd24 Si16 B8 O80",
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"updated_at": "2021-11-28T01:36:41.210000Z",
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{
"id": "mp-530844",
"created_at": "2022-09-04T14:45:05.058641Z",
"structure_string": "Ga23 N5 O27\n1.0\n5.918063 0.000000 0.000000\n2.914750 5.158872 0.000000\n2.672269 1.719064 19.359496\nGa N O\n23 5 27\ndirect\n0.357752 0.842782 0.965313 Ga\n0.004147 0.469780 0.994069 Ga\n0.105469 0.598376 0.724861 Ga\n0.378063 0.372344 0.874242 Ga\n0.639298 0.121962 0.622857 Ga\n0.764470 0.264078 0.756128 Ga\n0.878807 0.874843 0.875984 Ga\n0.848543 0.344440 0.473017 Ga\n0.121546 0.129291 0.624294 Ga\n0.375552 0.872757 0.370289 Ga\n0.398614 0.902942 0.781830 Ga\n0.509921 0.995573 0.501468 Ga\n0.599697 0.095164 0.216857 Ga\n0.637063 0.620880 0.621830 Ga\n0.882105 0.879066 0.373064 Ga\n0.125027 0.620527 0.119744 Ga\n0.134255 0.663531 0.534480 Ga\n0.380642 0.380369 0.373536 Ga\n0.253876 0.754468 0.252946 Ga\n0.626986 0.624391 0.123057 Ga\n0.892099 0.395465 0.285453 Ga\n0.126631 0.131045 0.122016 Ga\n0.625642 0.161034 0.027228 Ga\n0.814538 0.310229 0.570433 N\n0.779390 0.828478 0.565952 N\n0.070075 0.036653 0.314855 N\n0.535071 0.570298 0.315221 N\n0.269121 0.330577 0.063722 N\n0.712758 0.691915 0.941746 O\n0.200784 0.192278 0.936225 O\n0.070716 0.569678 0.819642 O\n0.185401 0.677197 0.936165 O\n0.572563 0.069350 0.812848 O\n0.464022 0.428495 0.685878 O\n0.932284 0.959351 0.688384 O\n0.679908 0.178129 0.931957 O\n0.551548 0.549578 0.810445 O\n0.048137 0.052517 0.811900 O\n0.937976 0.432190 0.689661 O\n0.315317 0.823380 0.563315 O\n0.220448 0.176624 0.435195 O\n0.682108 0.711926 0.433305 O\n0.432203 0.946187 0.681205 O\n0.316343 0.298219 0.564280 O\n0.562505 0.061156 0.315590 O\n0.680351 0.179622 0.436053 O\n0.065428 0.565575 0.314689 O\n0.963940 0.925331 0.183150 O\n0.309625 0.809214 0.068825 O\n0.186313 0.683883 0.435155 O\n0.427592 0.459329 0.184792 O\n0.432060 0.929026 0.184415 O\n0.804729 0.318950 0.064869 O\n0.805822 0.803406 0.067956 O\n0.929719 0.441154 0.182607 O\n",
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},
{
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"structure_string": "Cs2 Al2 Ni2 F12\n1.0\n-3.574382 3.668217 5.111581\n3.574382 -3.668217 5.111581\n3.574382 3.668217 -5.111581\nCs Al Ni F\n2 2 2 12\ndirect\n0.624531 0.874531 0.750000 Cs\n0.375469 0.125469 0.250000 Cs\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.049606 0.799606 0.250000 F\n0.669303 0.419303 0.250000 F\n0.056640 0.835753 0.634386 F\n0.701367 0.422254 0.865614 F\n0.701367 0.835753 0.279113 F\n0.056640 0.422254 0.220887 F\n0.950394 0.200394 0.750000 F\n0.330697 0.580697 0.750000 F\n0.943360 0.164247 0.365614 F\n0.298633 0.577746 0.134386 F\n0.298633 0.164247 0.720887 F\n0.943360 0.577746 0.779113 F\n",
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{
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{
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{
"id": "mp-1209629",
"created_at": "2022-09-04T14:45:09.140769Z",
"structure_string": "Rb4 Ho4 Mo8 O32\n1.0\n5.146608 0.000000 0.000000\n0.000000 8.198894 0.000000\n0.000000 0.000000 19.143725\nRb Ho Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.771058 Rb\n0.000000 0.250000 0.228942 Rb\n0.500000 0.250000 0.728942 Rb\n0.500000 0.750000 0.271058 Rb\n0.000000 0.750000 0.006556 Ho\n0.000000 0.250000 0.993444 Ho\n0.500000 0.250000 0.493444 Ho\n0.500000 0.750000 0.506556 Ho\n0.025215 0.515190 0.403109 Mo\n0.974785 0.484810 0.596891 Mo\n0.474785 0.015190 0.096891 Mo\n0.974785 0.984810 0.403109 Mo\n0.525215 0.984810 0.903109 Mo\n0.025215 0.015190 0.596891 Mo\n0.525215 0.484810 0.096891 Mo\n0.474785 0.515190 0.903109 Mo\n0.091193 0.975628 0.316968 O\n0.908807 0.024372 0.683032 O\n0.408807 0.475628 0.183032 O\n0.908807 0.524372 0.316968 O\n0.591193 0.524372 0.816968 O\n0.091193 0.475628 0.683032 O\n0.591193 0.024372 0.183032 O\n0.408807 0.975628 0.816968 O\n0.265879 0.839322 0.094517 O\n0.734121 0.160678 0.905483 O\n0.234121 0.339322 0.405483 O\n0.734121 0.660678 0.094517 O\n0.765879 0.660678 0.594517 O\n0.265879 0.339322 0.905483 O\n0.765879 0.160678 0.405483 O\n0.234121 0.839322 0.594517 O\n0.246908 0.506162 0.035185 O\n0.753092 0.493838 0.964815 O\n0.253092 0.006162 0.464815 O\n0.753092 0.993838 0.035185 O\n0.746908 0.993838 0.535185 O\n0.246908 0.006162 0.964815 O\n0.746908 0.493838 0.464815 O\n0.253092 0.506162 0.535185 O\n0.242163 0.688657 0.413593 O\n0.757837 0.311343 0.586407 O\n0.257837 0.188657 0.086407 O\n0.757837 0.811343 0.413593 O\n0.742163 0.811343 0.913593 O\n0.242163 0.188657 0.586407 O\n0.742163 0.311343 0.086407 O\n0.257837 0.688657 0.913593 O\n",
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{
"id": "mp-780043",
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"structure_string": "Cu3 Sb1 P4 O16\n1.0\n4.889022 0.049789 0.000000\n0.108611 9.858817 0.000000\n0.000000 0.000000 5.978339\nCu Sb P O\n3 1 4 16\ndirect\n0.041500 0.727283 0.750000 Cu\n0.419584 0.212832 0.750000 Cu\n0.566240 0.774417 0.250000 Cu\n0.964200 0.282291 0.250000 Sb\n0.089597 0.604350 0.250000 P\n0.408955 0.090645 0.250000 P\n0.581667 0.902340 0.750000 P\n0.922616 0.409540 0.750000 P\n0.184450 0.445690 0.250000 O\n0.228783 0.668830 0.045217 O\n0.228783 0.668830 0.454783 O\n0.229459 0.384490 0.750000 O\n0.270737 0.888766 0.750000 O\n0.251910 0.171492 0.055107 O\n0.251910 0.171492 0.444893 O\n0.353212 0.941815 0.250000 O\n0.647996 0.055538 0.750000 O\n0.735555 0.828644 0.550222 O\n0.735555 0.828644 0.949778 O\n0.720423 0.119298 0.250000 O\n0.776178 0.604473 0.250000 O\n0.780187 0.331235 0.542654 O\n0.780187 0.331235 0.957346 O\n0.830317 0.555827 0.750000 O\n",
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{
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"structure_string": "Y1 Bi1 W2 O8\n1.0\n5.360293 0.000000 0.000000\n-0.007527 5.596391 0.000000\n-2.017806 -2.789822 5.357106\nY Bi W O\n1 1 2 8\ndirect\n0.530187 0.269018 0.896304 Y\n0.023291 0.738067 0.878672 Bi\n0.282676 0.590468 0.396374 W\n0.785292 0.965993 0.397613 W\n0.282337 0.257734 0.142437 O\n0.271644 0.496322 0.658269 O\n0.404980 0.744496 0.186653 O\n0.147946 0.957402 0.615421 O\n0.768193 0.069082 0.154614 O\n0.768641 0.311451 0.669250 O\n0.638184 0.825982 0.618631 O\n0.896533 0.595487 0.189666 O\n",
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]
}