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{
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"results": [
{
"id": "mp-764722",
"created_at": "2022-09-04T14:48:26.005310Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.239086 0.000000 0.000000\n0.067689 9.055538 0.000000\n0.042963 0.039026 10.158207\nLi Fe B O\n3 8 8 24\ndirect\n0.336388 0.323653 0.898246 Li\n0.656090 0.678858 0.664217 Li\n0.689609 0.670177 0.166516 Li\n0.150594 0.847342 0.628103 Fe\n0.182240 0.487150 0.135710 Fe\n0.322727 0.985546 0.877163 Fe\n0.320492 0.663711 0.383908 Fe\n0.671610 0.333367 0.629241 Fe\n0.674087 0.010453 0.125742 Fe\n0.836913 0.163658 0.376262 Fe\n0.827075 0.503784 0.886001 Fe\n0.173633 0.502979 0.628645 B\n0.173621 0.830015 0.129412 B\n0.338883 0.000642 0.372416 B\n0.323343 0.662217 0.873061 B\n0.650813 0.997365 0.627867 B\n0.668530 0.333769 0.125063 B\n0.830210 0.496168 0.379806 B\n0.831252 0.165697 0.878332 B\n0.086794 0.504047 0.347142 O\n0.089041 0.153188 0.879044 O\n0.183609 0.791219 0.842974 O\n0.257781 0.867319 0.423178 O\n0.184009 0.120172 0.372160 O\n0.200293 0.536806 0.919274 O\n0.322125 0.382055 0.651131 O\n0.327818 0.940729 0.076595 O\n0.288069 0.633384 0.582476 O\n0.300502 0.704640 0.178756 O\n0.416932 0.320072 0.097559 O\n0.411891 0.004144 0.688056 O\n0.590677 0.008937 0.322377 O\n0.581354 0.663251 0.852055 O\n0.707988 0.292429 0.828417 O\n0.734905 0.363346 0.429947 O\n0.671826 0.613655 0.359246 O\n0.674238 0.056244 0.931300 O\n0.799256 0.464697 0.098983 O\n0.781172 0.869992 0.618926 O\n0.748218 0.129802 0.573971 O\n0.806389 0.209328 0.173709 O\n0.913229 0.844665 0.133592 O\n0.909512 0.503812 0.654826 O\n",
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],
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"density": 3.232148436729712,
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"volume_molar": 6.749464075349108,
"formula_full": "Li3 Fe8 B8 O24",
"formula_reduced": "Li3Fe8(BO3)8",
"formula_anonymous": "A3B8C8D24",
"energy": -342.46791912,
"energy_per_atom": -7.964370212093023,
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"updated_at": "2021-11-28T01:39:19.077000Z",
"spacegroup": 1
},
{
"id": "mp-1211249",
"created_at": "2022-09-04T14:46:52.718436Z",
"structure_string": "K2 Tb2 C4 O12\n1.0\n4.804755 4.296492 0.000000\n-4.804755 4.296492 0.000000\n0.000000 2.498184 6.521692\nK Tb C O\n2 2 4 12\ndirect\n0.620153 0.379847 0.750000 K\n0.379847 0.620153 0.250000 K\n0.096175 0.903825 0.750000 Tb\n0.903825 0.096175 0.250000 Tb\n0.645479 0.889597 0.758040 C\n0.354521 0.110403 0.241960 C\n0.110403 0.354521 0.741960 C\n0.889597 0.645479 0.258040 C\n0.443955 0.895604 0.779678 O\n0.556045 0.104396 0.220322 O\n0.104396 0.556045 0.720322 O\n0.895604 0.443955 0.279678 O\n0.714346 0.749209 0.883106 O\n0.285654 0.250791 0.116894 O\n0.250791 0.285654 0.616894 O\n0.749209 0.714346 0.383106 O\n0.796472 0.033232 0.608642 O\n0.203528 0.966768 0.391358 O\n0.966768 0.203528 0.891358 O\n0.033232 0.796472 0.108642 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Tb",
"C",
"O"
],
"chemical_system": "C-K-O-Tb",
"density": 3.922719757584772,
"density_atomic": 0.07427701813827173,
"volume": 269.2622900231218,
"volume_molar": 8.107677059395916,
"formula_full": "K2 Tb2 C4 O12",
"formula_reduced": "KTb(CO3)2",
"formula_anonymous": "ABC2D6",
"energy": -159.28743498,
"energy_per_atom": -7.964371749,
"energy_above_hull": null,
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"energy_uncorrected": -151.04343498,
"band_gap": 4.4195,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.42e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.834000Z",
"spacegroup": 15
},
{
"id": "mp-14530",
"created_at": "2022-09-04T14:44:25.036871Z",
"structure_string": "Rb4 Mo8 P12 O48\n1.0\n9.021299 0.000000 0.000000\n0.000000 9.461078 0.000000\n0.000000 0.000000 12.503703\nRb Mo P O\n4 8 12 48\ndirect\n0.184102 0.837550 0.750000 Rb\n0.184102 0.662450 0.250000 Rb\n0.815898 0.337550 0.750000 Rb\n0.815898 0.162450 0.250000 Rb\n0.247126 0.030169 0.399860 Mo\n0.247126 0.469831 0.600140 Mo\n0.752874 0.530169 0.100140 Mo\n0.752874 0.969831 0.899860 Mo\n0.752874 0.969831 0.600140 Mo\n0.752874 0.530169 0.399860 Mo\n0.247126 0.469831 0.899860 Mo\n0.247126 0.030169 0.100140 Mo\n0.408891 0.360299 0.369798 P\n0.408891 0.139701 0.630202 P\n0.591109 0.860299 0.130202 P\n0.591109 0.639701 0.869798 P\n0.591109 0.639701 0.630202 P\n0.591109 0.860299 0.369798 P\n0.408891 0.139701 0.869798 P\n0.408891 0.360299 0.130202 P\n0.973388 0.250000 0.500000 P\n0.026612 0.750000 0.000000 P\n0.026612 0.750000 0.500000 P\n0.973388 0.250000 0.000000 P\n0.640100 0.590975 0.750000 O\n0.640100 0.909025 0.250000 O\n0.359900 0.090975 0.750000 O\n0.359900 0.409025 0.250000 O\n0.066607 0.163704 0.419617 O\n0.066607 0.336296 0.580383 O\n0.933393 0.663704 0.080383 O\n0.933393 0.836296 0.919617 O\n0.933393 0.836296 0.580383 O\n0.933393 0.663704 0.419617 O\n0.066607 0.336296 0.919617 O\n0.066607 0.163704 0.080383 O\n0.428042 0.893725 0.384239 O\n0.428042 0.606275 0.615761 O\n0.571958 0.393725 0.115761 O\n0.571958 0.106275 0.884239 O\n0.571958 0.106275 0.615761 O\n0.611639 0.798860 0.622306 O\n0.571958 0.393725 0.384239 O\n0.428042 0.893725 0.115761 O\n0.388361 0.201140 0.377694 O\n0.388361 0.298860 0.622306 O\n0.611639 0.701140 0.122306 O\n0.611639 0.798860 0.877694 O\n0.212398 0.018141 0.250000 O\n0.212398 0.481859 0.750000 O\n0.787602 0.518141 0.250000 O\n0.787602 0.981859 0.750000 O\n0.124638 0.848675 0.068406 O\n0.124638 0.651325 0.931594 O\n0.875362 0.348675 0.431594 O\n0.875362 0.151325 0.568406 O\n0.875362 0.151325 0.931594 O\n0.875362 0.348675 0.068406 O\n0.124638 0.651325 0.568406 O\n0.124638 0.848675 0.431594 O\n0.301397 0.050658 0.937256 O\n0.301397 0.449342 0.062744 O\n0.698603 0.550658 0.562744 O\n0.698603 0.949342 0.437256 O\n0.698603 0.949342 0.062744 O\n0.698603 0.550658 0.937256 O\n0.301397 0.449342 0.437256 O\n0.301397 0.050658 0.562744 O\n0.388361 0.201140 0.122306 O\n0.388361 0.298860 0.877694 O\n0.611639 0.701140 0.377694 O\n0.428042 0.606275 0.884239 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Rb",
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P-Rb",
"density": 3.49944670900953,
"density_atomic": 0.06746587338111422,
"volume": 1067.206224297617,
"volume_molar": 8.926202920372752,
"formula_full": "Rb4 Mo8 P12 O48",
"formula_reduced": "RbMo2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -573.43479498,
"energy_per_atom": -7.9643721525,
"energy_above_hull": null,
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"energy_uncorrected": -514.84279498,
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"updated_at": "2021-11-28T01:36:39.947000Z",
"spacegroup": 57
},
{
"id": "mp-1290530",
"created_at": "2022-09-04T14:45:13.377422Z",
"structure_string": "Li3 Ti1 Mn4 O8\n1.0\n-3.541072 -4.271508 -2.672697\n-5.325023 1.613166 -2.629853\n5.308457 1.547049 -2.633628\nLi Ti Mn O\n3 1 4 8\ndirect\n0.000209 0.000074 0.500331 Li\n0.000096 0.500019 0.000374 Li\n0.500189 0.999846 0.999911 Li\n0.500159 0.499761 0.999630 Ti\n0.000165 0.999925 0.000353 Mn\n0.500121 0.999913 0.499946 Mn\n0.499569 0.499914 0.499508 Mn\n0.999665 0.500168 0.500162 Mn\n0.287741 0.247381 0.751225 O\n0.712296 0.752741 0.248615 O\n0.726314 0.774492 0.726291 O\n0.273250 0.225826 0.273577 O\n0.253122 0.717850 0.217439 O\n0.728933 0.269886 0.229802 O\n0.271056 0.730062 0.770213 O\n0.747116 0.282141 0.782622 O\n",
"nsites": 16,
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"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.188967684466072,
"density_atomic": 0.09692329941625781,
"volume": 165.07898612989413,
"volume_molar": 6.213305568701939,
"formula_full": "Li3 Ti1 Mn4 O8",
"formula_reduced": "Li3TiMn4O8",
"formula_anonymous": "AB3C4D8",
"energy": -127.43017095,
"energy_per_atom": -7.964385684375,
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"updated_at": "2021-11-28T01:36:57.791000Z",
"spacegroup": 2
},
{
"id": "mp-1186390",
"created_at": "2022-09-04T14:43:07.153236Z",
"structure_string": "Pa1 Al1 V2\n1.0\n0.000000 3.192073 3.192073\n3.192073 0.000000 3.192073\n3.192073 3.192073 0.000000\nPa Al V\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Pa\n0.250001 0.250001 0.250001 Al\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n",
"nsites": 4,
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"elements": [
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"Al",
"V"
],
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"density": 9.187196584638269,
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"volume": 65.05017060049379,
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"formula_full": "Pa1 Al1 V2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:59.914000Z",
"spacegroup": 225
},
{
"id": "mp-672689",
"created_at": "2022-09-04T14:42:54.560720Z",
"structure_string": "Hf6 Co16 Si7\n1.0\n0.000000 5.678450 5.678450\n5.678450 0.000000 5.678450\n5.678450 5.678450 0.000000\nHf Co Si\n6 16 7\ndirect\n0.205157 0.794843 0.794843 Hf\n0.794843 0.794843 0.205157 Hf\n0.794843 0.205157 0.205157 Hf\n0.205157 0.205157 0.794843 Hf\n0.794843 0.205157 0.794843 Hf\n0.205157 0.794843 0.205157 Hf\n0.619444 0.619444 0.141669 Co\n0.170461 0.488618 0.170461 Co\n0.858331 0.380556 0.380556 Co\n0.511382 0.829539 0.829539 Co\n0.488618 0.170461 0.170461 Co\n0.829539 0.829539 0.511382 Co\n0.170461 0.170461 0.488618 Co\n0.141669 0.619444 0.619444 Co\n0.170461 0.170461 0.170461 Co\n0.380556 0.380556 0.858331 Co\n0.619444 0.619444 0.619444 Co\n0.380556 0.858331 0.380556 Co\n0.380556 0.380556 0.380556 Co\n0.829539 0.829539 0.829539 Co\n0.619444 0.141669 0.619444 Co\n0.829539 0.511382 0.829539 Co\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n",
"nsites": 29,
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],
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"volume": 366.20090554975224,
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"formula_full": "Hf6 Co16 Si7",
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"energy": -230.96778014,
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},
{
"id": "mp-1233785",
"created_at": "2022-09-04T14:43:16.189588Z",
"structure_string": "Mg1 Mn2 Fe2 P4 O16\n1.0\n10.222434 -0.000416 -0.003105\n-0.000242 5.987340 0.000345\n-0.001239 0.000294 5.068428\nMg Mn Fe P O\n1 2 2 4 16\ndirect\n0.056259 0.750006 0.075919 Mg\n0.238424 0.749992 0.492762 Mn\n0.302378 0.249973 0.894237 Mn\n0.716713 0.750054 0.062326 Fe\n0.769312 0.249999 0.537575 Fe\n0.092874 0.249996 0.377429 P\n0.410617 0.749984 0.937479 P\n0.600925 0.250034 0.094751 P\n0.896195 0.749993 0.595851 P\n0.042698 0.750007 0.689512 O\n0.145647 0.249974 0.663389 O\n0.145949 0.035517 0.228792 O\n0.145939 0.464525 0.228807 O\n0.330615 0.554510 0.794508 O\n0.330653 0.945484 0.794458 O\n0.387333 0.749999 0.231095 O\n0.449992 0.250006 0.135837 O\n0.550398 0.749942 0.846910 O\n0.628676 0.249980 0.798559 O\n0.668290 0.052126 0.247226 O\n0.668271 0.447974 0.247152 O\n0.826050 0.544820 0.718450 O\n0.826040 0.955088 0.718559 O\n0.895236 0.750046 0.290197 O\n0.943266 0.249975 0.366917 O\n",
"nsites": 25,
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"O"
],
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"density": 3.3496004800559507,
"density_atomic": 0.08058951190547305,
"volume": 310.2140639506986,
"volume_molar": 7.472611035370995,
"formula_full": "Mg1 Mn2 Fe2 P4 O16",
"formula_reduced": "MgMn2Fe2(PO4)4",
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"energy": -199.11065566,
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"spacegroup": 6
},
{
"id": "mp-652711",
"created_at": "2022-09-04T14:40:42.296324Z",
"structure_string": "Bi8 Ru12 C36 O36\n1.0\n9.228337 0.000000 0.000000\n4.109448 8.528579 0.000000\n0.666457 1.381502 23.400113\nBi Ru C O\n8 12 36 36\ndirect\n0.891612 0.364192 0.533669 Bi\n0.926822 0.336815 0.037564 Bi\n0.108927 0.809992 0.287239 Bi\n0.073178 0.663185 0.962436 Bi\n0.891073 0.190008 0.712761 Bi\n0.108388 0.635808 0.466331 Bi\n0.204210 0.711442 0.782584 Bi\n0.795790 0.288558 0.217416 Bi\n0.743879 0.461340 0.639241 Ru\n0.043328 0.301916 0.149416 Ru\n0.173657 0.857228 0.398807 Ru\n0.694748 0.490781 0.119789 Ru\n0.151872 0.860305 0.885444 Ru\n0.256121 0.538660 0.360759 Ru\n0.956672 0.698084 0.850584 Ru\n0.092763 0.229281 0.627698 Ru\n0.305252 0.509219 0.880211 Ru\n0.907237 0.770719 0.372302 Ru\n0.848128 0.139695 0.114556 Ru\n0.826343 0.142772 0.601193 Ru\n0.744166 0.038303 0.161907 C\n0.681174 0.530981 0.714692 C\n0.861395 0.777265 0.777048 C\n0.483941 0.519721 0.912460 C\n0.966135 0.496498 0.848109 C\n0.240874 0.886522 0.954711 C\n0.648899 0.128038 0.640076 C\n0.754537 0.971966 0.343671 C\n0.262310 0.343480 0.390225 C\n0.140678 0.350791 0.677808 C\n0.756628 0.801083 0.890582 C\n0.027296 0.070832 0.389092 C\n0.463315 0.495615 0.386044 C\n0.516059 0.480279 0.087540 C\n0.752137 0.133842 0.526504 C\n0.950104 0.035058 0.886319 C\n0.243372 0.198917 0.109418 C\n0.693357 0.663089 0.071652 C\n0.424371 0.376626 0.820907 C\n0.759126 0.113478 0.045289 C\n0.536685 0.504385 0.613956 C\n0.235629 0.237078 0.568143 C\n0.764371 0.762922 0.431857 C\n0.049896 0.964942 0.113681 C\n0.351101 0.871962 0.359924 C\n0.575629 0.623374 0.179093 C\n0.247863 0.866158 0.473496 C\n0.033865 0.503502 0.151891 C\n0.255834 0.961697 0.838093 C\n0.318826 0.469019 0.285308 C\n0.737690 0.656520 0.609775 C\n0.245463 0.028034 0.656329 C\n0.306643 0.336911 0.928348 C\n0.138605 0.222735 0.222952 C\n0.859322 0.649209 0.322192 C\n0.972704 0.929168 0.610908 C\n0.683621 0.775407 0.045363 O\n0.939756 0.203749 0.383164 O\n0.299745 0.907317 0.994522 O\n0.370771 0.409450 0.242567 O\n0.406793 0.535199 0.598830 O\n0.208143 0.175472 0.266059 O\n0.791857 0.824528 0.733941 O\n0.173434 0.425709 0.707909 O\n0.597627 0.521029 0.932346 O\n0.653101 0.093778 0.329154 O\n0.662057 0.765431 0.462745 O\n0.060244 0.796251 0.616836 O\n0.316379 0.224593 0.954637 O\n0.826566 0.574291 0.292091 O\n0.370757 0.132493 0.090052 O\n0.629243 0.867507 0.909948 O\n0.827360 0.146236 0.886032 O\n0.701156 0.117361 0.483828 O\n0.507851 0.283967 0.789904 O\n0.492149 0.716033 0.210096 O\n0.973356 0.371218 0.844846 O\n0.402373 0.478971 0.067654 O\n0.629229 0.590550 0.757433 O\n0.593207 0.464801 0.401170 O\n0.337943 0.234569 0.537255 O\n0.722462 0.781663 0.594730 O\n0.683925 0.966315 0.186257 O\n0.536165 0.123709 0.661816 O\n0.346899 0.906222 0.670846 O\n0.316075 0.033685 0.813743 O\n0.172640 0.853764 0.113968 O\n0.700255 0.092683 0.005478 O\n0.463835 0.876291 0.338184 O\n0.298844 0.882639 0.516172 O\n0.026644 0.628782 0.155154 O\n0.277538 0.218337 0.405270 O\n",
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"formula_full": "Bi8 Ru12 C36 O36",
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},
{
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"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.224796 -0.002555 -1.862713\n-0.084890 7.283910 -0.235098\n-0.045375 -0.256738 7.862031\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.188227 0.780433 0.393309 Sr\n0.815074 0.233503 0.625303 Sr\n0.876676 0.507730 0.009477 Mg\n0.905508 0.768766 0.779405 V\n0.123626 0.246124 0.238288 V\n0.380227 0.475246 0.784616 Si\n0.589471 0.541151 0.228421 Si\n0.608350 0.987031 0.225517 Si\n0.402311 0.030264 0.792716 Si\n0.624389 0.767205 0.280252 O\n0.363510 0.248981 0.733931 O\n0.476021 0.508912 0.006357 O\n0.502493 0.010840 0.009490 O\n0.633436 0.542468 0.742260 O\n0.882672 0.470905 0.274592 O\n0.417639 0.072690 0.325640 O\n0.114360 0.944355 0.693059 O\n0.995835 0.262721 0.990478 O\n0.018275 0.751139 0.027003 O\n0.899499 0.073300 0.319846 O\n0.603369 0.941875 0.701281 O\n0.103427 0.561181 0.688042 O\n0.400608 0.458366 0.322382 O\n",
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{
"id": "mp-1247721",
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"structure_string": "Sr1 Ca7 Ti3 Mn5 O23\n1.0\n7.732778 0.001513 -0.003178\n0.001456 7.706486 0.001788\n-0.003134 0.001780 7.740443\nSr Ca Ti Mn O\n1 7 3 5 23\ndirect\n0.257135 0.259621 0.250352 Sr\n0.268822 0.278631 0.746555 Ca\n0.263494 0.731046 0.252239 Ca\n0.267973 0.723616 0.746089 Ca\n0.738873 0.271590 0.252269 Ca\n0.732974 0.277656 0.745996 Ca\n0.739293 0.730500 0.252419 Ca\n0.732533 0.722251 0.745774 Ca\n0.999746 0.998684 0.985780 Ti\n0.998603 0.998914 0.514263 Ti\n0.503200 0.998518 0.004495 Ti\n0.999303 0.501114 0.003213 Mn\n0.999464 0.501041 0.495448 Mn\n0.501247 0.999325 0.496279 Mn\n0.500680 0.500431 0.000000 Mn\n0.500420 0.500503 0.498284 Mn\n0.997344 0.997343 0.749417 O\n0.995642 0.500786 0.249694 O\n0.997645 0.501790 0.748957 O\n0.498914 0.998550 0.252684 O\n0.502131 0.998433 0.749855 O\n0.503751 0.503892 0.248895 O\n0.501444 0.501131 0.749860 O\n0.242138 0.997741 0.027987 O\n0.244855 0.997660 0.480668 O\n0.250514 0.504044 0.991683 O\n0.249750 0.503900 0.507752 O\n0.757215 0.999439 0.032536 O\n0.754737 0.999017 0.476131 O\n0.749369 0.501002 0.994858 O\n0.750151 0.501187 0.504554 O\n0.997597 0.245420 0.017785 O\n0.997372 0.244795 0.479695 O\n0.998641 0.754667 0.021516 O\n0.998962 0.755363 0.475239 O\n0.501912 0.251807 0.993639 O\n0.503610 0.249758 0.507405 O\n0.501170 0.748451 0.995584 O\n0.501377 0.750383 0.504152 O\n",
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{
"id": "mp-1273989",
"created_at": "2022-09-04T14:42:23.848777Z",
"structure_string": "La4 Co4 O12\n1.0\n4.761710 -0.004944 2.625932\n-3.330248 4.656308 5.635272\n-1.566455 -4.534686 2.828300\nLa Co O\n4 4 12\ndirect\n0.251137 0.499376 0.750926 La\n0.750740 0.999766 0.251642 La\n0.749260 0.500234 0.248350 La\n0.248863 0.000623 0.749081 La\n0.250000 0.750000 0.249997 Co\n0.250001 0.250000 0.249997 Co\n0.750001 0.250000 0.750003 Co\n0.750001 0.750000 0.750004 Co\n0.744955 0.499932 0.825294 O\n0.247057 0.000249 0.325328 O\n0.252942 0.499752 0.174673 O\n0.755044 0.000068 0.674706 O\n0.027313 0.216710 0.956081 O\n0.540032 0.714534 0.477073 O\n0.959968 0.785467 0.022927 O\n0.472686 0.283290 0.543918 O\n0.460473 0.788557 0.978175 O\n0.973204 0.286885 0.456548 O\n0.526795 0.213116 0.043452 O\n0.039527 0.711443 0.521825 O\n",
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"formula_full": "La4 Co4 O12",
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{
"id": "mp-1216484",
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"structure_string": "Y4 Fe29 Si5\n1.0\n4.209842 2.431401 4.145299\n-4.203542 2.383103 4.166621\n-0.077464 -9.669542 8.335001\nY Fe Si\n4 29 5\ndirect\n0.653684 0.654979 0.326220 Y\n0.659477 0.650373 0.826640 Y\n0.340523 0.349627 0.173360 Y\n0.346316 0.345021 0.673780 Y\n0.309518 0.694393 0.998967 Fe\n0.300041 0.700126 0.499767 Fe\n0.690538 0.003179 0.151751 Fe\n0.699727 0.999813 0.651223 Fe\n0.998951 0.296537 0.351446 Fe\n0.000849 0.289999 0.855219 Fe\n0.300273 0.000187 0.348777 Fe\n0.309462 0.996821 0.848249 Fe\n0.999151 0.710001 0.144781 Fe\n0.001049 0.703463 0.648554 Fe\n0.699959 0.299874 0.500233 Fe\n0.690482 0.305607 0.001033 Fe\n0.339247 0.339095 0.421831 Fe\n0.336243 0.335301 0.924960 Fe\n0.335530 0.849501 0.167540 Fe\n0.340293 0.844793 0.669518 Fe\n0.835914 0.344409 0.171090 Fe\n0.844807 0.339345 0.670703 Fe\n0.663757 0.664699 0.075040 Fe\n0.660753 0.660905 0.578169 Fe\n0.659707 0.155207 0.330482 Fe\n0.664470 0.150499 0.832460 Fe\n0.155193 0.660655 0.329297 Fe\n0.164086 0.655591 0.828910 Fe\n0.998200 0.001366 0.249685 Fe\n0.001800 0.998634 0.750315 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Si\n0.898844 0.898517 0.449344 Si\n0.924371 0.889207 0.944717 Si\n0.075629 0.110793 0.055283 Si\n0.101156 0.101483 0.550656 Si\n",
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"formula_full": "Y4 Fe29 Si5",
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]
}