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"results": [
{
"id": "mp-779907",
"created_at": "2022-09-04T14:44:58.016410Z",
"structure_string": "Li8 Mn8 P8 H16 O40\n1.0\n5.140066 0.000000 0.000000\n0.000000 10.213774 0.000000\n0.000000 0.000000 17.142305\nLi Mn P H O\n8 8 8 16 40\ndirect\n0.528466 0.149517 0.193358 Li\n0.471534 0.149517 0.693358 Li\n0.098062 0.420045 0.945791 Li\n0.901938 0.420045 0.445791 Li\n0.471534 0.649517 0.806642 Li\n0.528466 0.649517 0.306642 Li\n0.098062 0.920045 0.554209 Li\n0.901938 0.920045 0.054209 Li\n0.465407 0.182934 0.500188 Mn\n0.534593 0.182934 0.000188 Mn\n0.907600 0.391231 0.251099 Mn\n0.092400 0.391231 0.751099 Mn\n0.465407 0.682934 0.999812 Mn\n0.534593 0.682934 0.499812 Mn\n0.092400 0.891231 0.748901 Mn\n0.907600 0.891231 0.248901 Mn\n0.010369 0.226067 0.092528 P\n0.989631 0.226067 0.592528 P\n0.410351 0.345284 0.342425 P\n0.589649 0.345284 0.842425 P\n0.989631 0.726067 0.907472 P\n0.010369 0.726067 0.407472 P\n0.589649 0.845284 0.657575 P\n0.410351 0.845284 0.157575 P\n0.090914 0.003642 0.375761 H\n0.909086 0.003642 0.875761 H\n0.630407 0.053911 0.376810 H\n0.369593 0.053911 0.876810 H\n0.165503 0.111157 0.311345 H\n0.834497 0.111157 0.811345 H\n0.659927 0.449402 0.056591 H\n0.340073 0.449402 0.556591 H\n0.090914 0.503642 0.124239 H\n0.909086 0.503642 0.624239 H\n0.369593 0.553911 0.623190 H\n0.630407 0.553911 0.123190 H\n0.834497 0.611157 0.688655 H\n0.165503 0.611157 0.188655 H\n0.659927 0.949402 0.443409 H\n0.340073 0.949402 0.943409 H\n0.543052 0.020319 0.423951 O\n0.456948 0.020319 0.923951 O\n0.029837 0.044093 0.326619 O\n0.970163 0.044093 0.826619 O\n0.875711 0.111556 0.047501 O\n0.124289 0.111556 0.547501 O\n0.692772 0.198207 0.599660 O\n0.307228 0.198207 0.099660 O\n0.576969 0.214271 0.796991 O\n0.423031 0.214271 0.296991 O\n0.886758 0.234651 0.175653 O\n0.113242 0.234651 0.675653 O\n0.456429 0.333252 0.924189 O\n0.543571 0.333252 0.424189 O\n0.957672 0.354783 0.046676 O\n0.042328 0.354783 0.546676 O\n0.120068 0.385291 0.353141 O\n0.879932 0.385291 0.853141 O\n0.555962 0.454794 0.296037 O\n0.444038 0.454794 0.796037 O\n0.543052 0.520319 0.076049 O\n0.456948 0.520319 0.576049 O\n0.029837 0.544093 0.173381 O\n0.970163 0.544093 0.673381 O\n0.124289 0.611556 0.952499 O\n0.875711 0.611556 0.452499 O\n0.692772 0.698207 0.900340 O\n0.307228 0.698207 0.400340 O\n0.576969 0.714271 0.703009 O\n0.423031 0.714271 0.203009 O\n0.886758 0.734651 0.324347 O\n0.113242 0.734651 0.824347 O\n0.456429 0.833252 0.575811 O\n0.543571 0.833252 0.075811 O\n0.957672 0.854783 0.453324 O\n0.042328 0.854783 0.953324 O\n0.879932 0.885291 0.646859 O\n0.120068 0.885291 0.146859 O\n0.444038 0.954794 0.703963 O\n0.555962 0.954794 0.203963 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.58118733495906,
"density_atomic": 0.08889264515584751,
"volume": 899.9619694041411,
"volume_molar": 6.774622072998189,
"formula_full": "Li8 Mn8 P8 H16 O40",
"formula_reduced": "LiMnPH2O5",
"formula_anonymous": "ABCD2E5",
"energy": -559.1471523399999,
"energy_per_atom": -6.989339404249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -518.32315234,
"band_gap": 2.5301,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.9989668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.795000Z",
"spacegroup": 29
},
{
"id": "mp-27617",
"created_at": "2022-09-04T14:45:08.057795Z",
"structure_string": "Ce2 Se1 F4\n1.0\n7.796000 -2.079176 0.000000\n7.796000 2.079176 0.000000\n7.241488 0.000000 3.558292\nCe Se F\n2 1 4\ndirect\n0.756198 0.756198 0.756198 Ce\n0.243802 0.243802 0.243802 Ce\n0.000000 0.000000 0.000000 Se\n0.860499 0.860499 0.860499 F\n0.139501 0.139501 0.139501 F\n0.569426 0.569426 0.569426 F\n0.430574 0.430574 0.430574 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ce",
"Se",
"F"
],
"chemical_system": "Ce-F-Se",
"density": 6.264536772719176,
"density_atomic": 0.06068248765916877,
"volume": 115.35453258469606,
"volume_molar": 9.924017607557804,
"formula_full": "Ce2 Se1 F4",
"formula_reduced": "Ce2SeF4",
"formula_anonymous": "AB2C4",
"energy": -49.68498606,
"energy_per_atom": -7.097855151428571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -47.36498606,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:47.353000Z",
"spacegroup": 166
},
{
"id": "mp-18968",
"created_at": "2022-09-04T14:44:56.096018Z",
"structure_string": "Li8 Fe4 Si4 O16\n1.0\n0.000061 0.000092 6.339123\n5.010185 5.409056 0.000127\n-5.008186 5.407152 0.000029\nLi Fe Si O\n8 4 4 16\ndirect\n0.750324 0.362877 0.305400 Li\n0.750323 0.862882 0.805384 Li\n0.749699 0.444567 0.887138 Li\n0.749685 0.944578 0.387120 Li\n0.250301 0.444570 0.887133 Li\n0.250312 0.944558 0.387134 Li\n0.249680 0.362891 0.305412 Li\n0.249693 0.862879 0.805404 Li\n0.499981 0.617207 0.553705 Fe\n0.999971 0.196356 0.632594 Fe\n0.499924 0.117290 0.053605 Fe\n0.000073 0.696264 0.132484 Fe\n0.000010 0.109869 0.060465 Si\n0.000005 0.609907 0.560469 Si\n0.499985 0.689626 0.140105 Si\n0.499999 0.189599 0.640110 Si\n0.999988 0.449842 0.729982 O\n0.000047 0.949832 0.229984 O\n0.499994 0.520180 0.300179 O\n0.500037 0.020136 0.800167 O\n0.499979 0.385324 0.737679 O\n0.499992 0.885287 0.237680 O\n0.999995 0.512389 0.364659 O\n0.000008 0.012352 0.864634 O\n0.786135 0.236961 0.077270 O\n0.786139 0.736971 0.577304 O\n0.286079 0.672706 0.013052 O\n0.286116 0.172722 0.513037 O\n0.713881 0.672735 0.013050 O\n0.713896 0.172721 0.513033 O\n0.213885 0.236952 0.077316 O\n0.213865 0.736972 0.577312 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.1292726670855937,
"density_atomic": 0.09317055231594303,
"volume": 343.4561586743354,
"volume_molar": 6.463566663830448,
"formula_full": "Li8 Fe4 Si4 O16",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy": -232.04464185,
"energy_per_atom": -7.2513950578125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -212.02864185,
"band_gap": 3.1236,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.497000Z",
"spacegroup": 31
},
{
"id": "mp-1183997",
"created_at": "2022-09-04T14:44:56.100777Z",
"structure_string": "Cs1 Th1 O3\n1.0\n4.575334 0.000000 0.000000\n0.000000 4.575334 0.000000\n0.000000 0.000000 4.575334\nCs Th O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Th\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Th",
"O"
],
"chemical_system": "Cs-O-Th",
"density": 7.159281548667069,
"density_atomic": 0.05220373723336041,
"volume": 95.77858339239336,
"volume_molar": 11.535842219647822,
"formula_full": "Cs1 Th1 O3",
"formula_reduced": "CsThO3",
"formula_anonymous": "ABC3",
"energy": -37.98486825,
"energy_per_atom": -7.59697365,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -35.92386825,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.7293395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.296000Z",
"spacegroup": 221
},
{
"id": "mp-26571",
"created_at": "2022-09-04T14:45:00.736763Z",
"structure_string": "Li4 Cr4 P8 O28\n1.0\n8.079132 0.000000 0.000000\n0.000000 6.752526 0.000000\n0.000000 2.843562 8.913993\nLi Cr P O\n4 4 8 28\ndirect\n0.886005 0.784590 0.544797 Li\n0.113995 0.215410 0.455203 Li\n0.386005 0.215410 0.955203 Li\n0.613995 0.784590 0.044797 Li\n0.774367 0.280592 0.004367 Cr\n0.725633 0.280592 0.504367 Cr\n0.274367 0.719408 0.495633 Cr\n0.225633 0.719408 0.995633 Cr\n0.085055 0.463640 0.796817 P\n0.914945 0.536360 0.203183 P\n0.414945 0.463640 0.296817 P\n0.963014 0.053654 0.793353 P\n0.463014 0.946346 0.706647 P\n0.036986 0.946346 0.206647 P\n0.536986 0.053654 0.293353 P\n0.585055 0.536360 0.703183 P\n0.414106 0.605269 0.133139 O\n0.680762 0.071461 0.396124 O\n0.945391 0.151111 0.151388 O\n0.590205 0.090770 0.127804 O\n0.409795 0.909230 0.872196 O\n0.054609 0.848889 0.848612 O\n0.319238 0.928539 0.603876 O\n0.605856 0.773513 0.709551 O\n0.090205 0.909230 0.372196 O\n0.445391 0.848889 0.348612 O\n0.180762 0.928539 0.103876 O\n0.085894 0.605269 0.633139 O\n0.234165 0.489879 0.892251 O\n0.894144 0.773513 0.209551 O\n0.916532 0.474518 0.865339 O\n0.909795 0.090770 0.627804 O\n0.734165 0.510121 0.607749 O\n0.585894 0.394731 0.866861 O\n0.416532 0.525482 0.634661 O\n0.265835 0.489879 0.392251 O\n0.583468 0.474518 0.365339 O\n0.083468 0.525482 0.134661 O\n0.105856 0.226487 0.790449 O\n0.765835 0.510121 0.107749 O\n0.914106 0.394731 0.366861 O\n0.819238 0.071461 0.896124 O\n0.554609 0.151111 0.651388 O\n0.394144 0.226487 0.290449 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.1808179555336276,
"density_atomic": 0.09047933893085175,
"volume": 486.2988669007265,
"volume_molar": 6.655818699783364,
"formula_full": "Li4 Cr4 P8 O28",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
"energy": -344.27066890000003,
"energy_per_atom": -7.8243333840909095,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:47.427000Z",
"spacegroup": 14
},
{
"id": "mp-1222925",
"created_at": "2022-09-04T14:45:02.335432Z",
"structure_string": "La1 Pr3 Co8 P8\n1.0\n3.909273 0.000000 0.000000\n0.000000 3.909273 0.000000\n0.000000 0.000000 19.957886\nLa Pr Co P\n1 3 8 8\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.250350 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.749650 Pr\n0.000000 0.500000 0.126257 Co\n0.500000 0.000000 0.375034 Co\n0.000000 0.500000 0.624966 Co\n0.500000 0.000000 0.873743 Co\n0.500000 0.000000 0.126257 Co\n0.000000 0.500000 0.375034 Co\n0.500000 0.000000 0.624966 Co\n0.000000 0.500000 0.873743 Co\n0.500000 0.500000 0.070689 P\n0.000000 0.000000 0.318601 P\n0.500000 0.500000 0.568683 P\n0.000000 0.000000 0.817616 P\n0.000000 0.000000 0.182384 P\n0.500000 0.500000 0.431317 P\n0.000000 0.000000 0.681399 P\n0.500000 0.500000 0.929311 P\n",
"nsites": 20,
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"elements": [
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"Pr",
"Co",
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],
"chemical_system": "Co-La-P-Pr",
"density": 6.973525388922866,
"density_atomic": 0.06557275913864981,
"volume": 305.0047041289075,
"volume_molar": 9.183906303632172,
"formula_full": "La1 Pr3 Co8 P8",
"formula_reduced": "LaPr3(CoP)8",
"formula_anonymous": "AB3C8D8",
"energy": -138.76035038,
"energy_per_atom": -6.938017519000001,
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"updated_at": "2021-11-28T01:36:52.319000Z",
"spacegroup": 123
},
{
"id": "mp-1176436",
"created_at": "2022-09-04T14:45:00.785604Z",
"structure_string": "Mn1 Fe3 Sb2 P6 O24\n1.0\n7.724391 -4.353118 0.000000\n7.724391 4.353118 0.000000\n5.271171 0.000000 7.129559\nMn Fe Sb P O\n1 3 2 6 24\ndirect\n0.148230 0.148230 0.148230 Mn\n0.850921 0.850921 0.850921 Fe\n0.648924 0.648924 0.648924 Fe\n0.350887 0.350887 0.350887 Fe\n0.999179 0.999179 0.999179 Sb\n0.499875 0.499875 0.499875 Sb\n0.460468 0.040428 0.749207 P\n0.040428 0.749207 0.460468 P\n0.749207 0.460468 0.040428 P\n0.250680 0.541143 0.958952 P\n0.958952 0.250680 0.541143 P\n0.541143 0.958952 0.250680 P\n0.696991 0.494196 0.883274 O\n0.494196 0.883274 0.696991 O\n0.083399 0.733990 0.939954 O\n0.883274 0.696991 0.494196 O\n0.199137 0.386779 0.986976 O\n0.417699 0.562126 0.766784 O\n0.939954 0.083399 0.733990 O\n0.766784 0.417699 0.562126 O\n0.617154 0.006932 0.801851 O\n0.562126 0.766784 0.417699 O\n0.268163 0.058341 0.915100 O\n0.006932 0.801851 0.617154 O\n0.986976 0.199137 0.386779 O\n0.733990 0.939954 0.083399 O\n0.441150 0.232841 0.582232 O\n0.386779 0.986976 0.199137 O\n0.232841 0.582232 0.441150 O\n0.058341 0.915100 0.268163 O\n0.582232 0.441150 0.232841 O\n0.801851 0.617154 0.006932 O\n0.116919 0.302081 0.507037 O\n0.915100 0.268163 0.058341 O\n0.507037 0.116919 0.302081 O\n0.302081 0.507037 0.116919 O\n",
"nsites": 36,
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"elements": [
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"Sb",
"P",
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],
"chemical_system": "Fe-Mn-O-P-Sb",
"density": 3.58737310711741,
"density_atomic": 0.07508361063219592,
"volume": 479.4654878326159,
"volume_molar": 8.020579603583556,
"formula_full": "Mn1 Fe3 Sb2 P6 O24",
"formula_reduced": "MnFe3Sb2(PO4)6",
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"energy": -277.29740355,
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"updated_at": "2021-11-28T01:36:49.403000Z",
"spacegroup": 146
},
{
"id": "mp-1247645",
"created_at": "2022-09-04T14:44:56.112370Z",
"structure_string": "Sr4 Ca28 Ti12 Mn20 O84\n1.0\n11.231266 -0.038438 -0.122547\n-0.052294 15.562583 -0.020435\n-0.120318 -0.011085 11.183933\nSr Ca Ti Mn O\n4 28 12 20 84\ndirect\n0.981400 0.124179 0.526485 Sr\n0.509897 0.387331 0.990976 Sr\n0.245967 0.385540 0.227353 Sr\n0.227559 0.121794 0.218234 Sr\n0.976451 0.117481 0.019566 Ca\n0.994412 0.620016 0.525155 Ca\n0.989710 0.618342 0.001459 Ca\n0.542091 0.120914 0.480523 Ca\n0.545272 0.123278 0.983639 Ca\n0.534403 0.629059 0.513859 Ca\n0.544127 0.622288 0.971127 Ca\n0.493144 0.376841 0.523374 Ca\n0.536649 0.857218 0.977644 Ca\n0.488248 0.863936 0.501430 Ca\n0.963273 0.388528 0.008106 Ca\n0.953353 0.387564 0.511179 Ca\n0.955575 0.876323 0.997255 Ca\n0.962814 0.867742 0.515737 Ca\n0.233541 0.405005 0.754882 Ca\n0.238091 0.881128 0.276227 Ca\n0.227009 0.863030 0.721098 Ca\n0.749184 0.379936 0.253855 Ca\n0.725313 0.393051 0.762533 Ca\n0.744698 0.859140 0.244164 Ca\n0.719699 0.863503 0.739070 Ca\n0.230144 0.108975 0.740889 Ca\n0.244310 0.620287 0.274400 Ca\n0.264752 0.628201 0.718570 Ca\n0.762033 0.121062 0.247199 Ca\n0.766274 0.127731 0.753021 Ca\n0.766262 0.614343 0.252143 Ca\n0.770695 0.625410 0.750998 Ca\n0.983836 0.992740 0.263687 Ti\n0.980992 0.992048 0.759018 Ti\n0.001712 0.500549 0.258359 Ti\n0.238221 0.968942 0.020685 Ti\n0.230811 0.997905 0.512366 Ti\n0.249733 0.528265 0.005845 Ti\n0.262724 0.240925 0.933261 Ti\n0.260665 0.238690 0.450927 Ti\n0.264453 0.743879 0.977665 Ti\n0.982106 0.253512 0.269425 Ti\n-0.000763 0.259086 0.779044 Ti\n0.998700 0.746848 0.271763 Ti\n0.994977 0.500435 0.756699 Mn\n0.503386 0.986052 0.221441 Mn\n0.502848 0.997655 0.723553 Mn\n0.507340 0.495939 0.248947 Mn\n0.491507 0.503786 0.748077 Mn\n0.231015 0.493149 0.508269 Mn\n0.742587 0.998877 0.988683 Mn\n0.739432 0.995764 0.486579 Mn\n0.752233 0.503482 0.003333 Mn\n0.738150 0.500211 0.506063 Mn\n0.243849 0.745596 0.492834 Mn\n0.747931 0.250729 0.005839 Mn\n0.740939 0.250070 0.503590 Mn\n0.759908 0.747388 0.996990 Mn\n0.748783 0.748568 0.501489 Mn\n0.999928 0.751026 0.751984 Mn\n0.510237 0.257914 0.262008 Mn\n0.508867 0.248376 0.754849 Mn\n0.514345 0.750498 0.263093 Mn\n0.499173 0.748115 0.743720 Mn\n0.097356 0.770012 0.605085 O\n0.568336 0.249473 0.099358 O\n0.568568 0.247951 0.590710 O\n0.606744 0.762690 0.118987 O\n0.605101 0.763822 0.596820 O\n0.387347 0.191407 0.367368 O\n0.390718 0.182194 0.865776 O\n0.408369 0.694967 0.368690 O\n0.411362 0.734257 0.924917 O\n0.911987 0.247644 0.408224 O\n0.925764 0.241197 0.916353 O\n0.910585 0.729057 0.400890 O\n0.915711 0.738696 0.901409 O\n0.157968 0.249099 0.321222 O\n0.179640 0.255966 0.788648 O\n0.164076 0.750071 0.313358 O\n0.176317 0.742420 0.844647 O\n0.657458 0.226494 0.350209 O\n0.661733 0.234122 0.853155 O\n0.663057 0.724696 0.349512 O\n0.644493 0.731146 0.849391 O\n0.356672 0.760609 0.641158 O\n0.854587 0.267025 0.156835 O\n0.888216 0.263526 0.653672 O\n0.890793 0.775352 0.146648 O\n0.848324 0.774016 0.642524 O\n0.360490 0.517493 0.162327 O\n0.345528 0.495299 0.640482 O\n0.355959 0.019975 0.112827 O\n0.360275 0.030130 0.614844 O\n0.867823 0.484248 0.149353 O\n0.845111 0.477903 0.641635 O\n0.861269 0.975563 0.158213 O\n0.858771 0.979286 0.656261 O\n0.167577 0.016287 0.359558 O\n0.231216 0.987265 0.862767 O\n0.155215 0.497179 0.348572 O\n0.161193 0.530584 0.865132 O\n0.625534 0.030416 0.334834 O\n0.629643 0.039529 0.833659 O\n0.631998 0.526683 0.362468 O\n0.638599 0.515327 0.856089 O\n0.391015 0.518146 0.912024 O\n0.892670 0.014309 0.396311 O\n0.898101 0.009608 0.901309 O\n0.904884 0.514859 0.388296 O\n0.893818 0.511063 0.895270 O\n0.120217 0.480249 0.093805 O\n0.091744 0.473191 0.616189 O\n0.101520 0.987814 0.103234 O\n0.108030 0.983209 0.614609 O\n0.612781 0.503315 0.115968 O\n0.594454 0.488862 0.611681 O\n0.596760 0.984881 0.073022 O\n0.597607 0.981704 0.574790 O\n0.009161 0.373315 0.265060 O\n0.020596 0.376915 0.803964 O\n0.016472 0.878404 0.301263 O\n0.024900 0.880076 0.796438 O\n0.464713 0.381405 0.308347 O\n0.484174 0.377710 0.767037 O\n0.453780 0.868743 0.284805 O\n0.500684 0.872606 0.774034 O\n0.480073 0.625740 0.721720 O\n0.994984 0.128249 0.230281 O\n0.016756 0.118191 0.752268 O\n0.011356 0.625543 0.221014 O\n0.985551 0.624919 0.724636 O\n0.174355 0.169530 0.019031 O\n0.201322 0.154599 0.543964 O\n0.220333 0.645067 0.058547 O\n0.215181 0.618671 0.508913 O\n0.757098 0.123830 0.036044 O\n0.750469 0.124566 0.539815 O\n0.764144 0.626601 0.035092 O\n0.751103 0.625517 0.541878 O\n0.279898 0.347647 0.510295 O\n0.292368 0.342520 0.005642 O\n0.276810 0.886892 0.484151 O\n0.257288 0.851052 0.056765 O\n0.743745 0.376232 0.464649 O\n0.747675 0.375821 0.977572 O\n0.755005 0.870990 0.452117 O\n0.747646 0.874766 0.956948 O\n",
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"formula_full": "Sr4 Ca28 Ti12 Mn20 O84",
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},
{
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"structure_string": "Mn4 V6 Ni2 O16\n1.0\n-4.373312 0.000690 -4.251048\n0.004951 -4.345093 -4.255876\n-4.370328 -4.328854 8.499460\nMn V Ni O\n4 6 2 16\ndirect\n0.117631 0.130915 0.371302 Mn\n0.618582 0.630047 0.871257 Mn\n0.006482 0.995101 0.003732 Mn\n0.507291 0.493960 0.503646 Mn\n0.062676 0.562669 0.187529 V\n0.562326 0.062304 0.687453 V\n0.562447 0.062515 0.187780 V\n0.062567 0.562400 0.687210 V\n0.562157 0.563087 0.187319 V\n0.062802 0.061931 0.687737 V\n0.312562 0.312661 0.937528 Ni\n0.812495 0.812450 0.437470 Ni\n0.438138 0.421931 0.295480 O\n0.937411 0.921478 0.795323 O\n0.687545 0.703469 0.079654 O\n0.186815 0.203008 0.579518 O\n0.661263 0.190153 0.075102 O\n0.162867 0.688570 0.575814 O\n0.216417 0.654755 0.072966 O\n0.717057 0.151851 0.572079 O\n0.209533 0.204452 0.078677 O\n0.710083 0.703443 0.578160 O\n0.462117 0.936443 0.299204 O\n0.963833 0.434830 0.799935 O\n0.907969 0.473142 0.302981 O\n0.408531 0.970372 0.802025 O\n0.914840 0.921453 0.296887 O\n0.415565 0.420611 0.796235 O\n",
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{
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{
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{
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"structure_string": "Li8 Cu8 B8 O24\n1.0\n5.168187 0.000000 0.000000\n0.000000 5.244989 0.000000\n0.000000 0.000000 16.818352\nLi Cu B O\n8 8 8 24\ndirect\n0.251039 0.506265 0.764217 Li\n0.248961 0.006265 0.764217 Li\n0.751039 0.506265 0.735783 Li\n0.748961 0.006265 0.735783 Li\n0.251039 0.993735 0.264217 Li\n0.248961 0.493735 0.264217 Li\n0.751039 0.993735 0.235783 Li\n0.748961 0.493735 0.235783 Li\n0.995267 0.311011 0.568608 Cu\n0.504733 0.811011 0.568608 Cu\n0.004733 0.811011 0.931392 Cu\n0.495267 0.311011 0.931392 Cu\n0.995267 0.188989 0.068608 Cu\n0.504733 0.688989 0.068608 Cu\n0.495267 0.188989 0.431392 Cu\n0.004733 0.688989 0.431392 Cu\n0.487161 0.296445 0.625459 B\n0.012839 0.796445 0.625459 B\n0.987161 0.296445 0.874541 B\n0.512839 0.796445 0.874541 B\n0.487161 0.203555 0.125459 B\n0.012839 0.703555 0.125459 B\n0.987161 0.203555 0.374541 B\n0.512839 0.703555 0.374541 B\n0.665707 0.486043 0.602039 O\n0.834293 0.986043 0.602039 O\n0.147580 0.662849 0.565006 O\n0.352420 0.162849 0.565006 O\n0.954226 0.251788 0.795456 O\n0.545774 0.751788 0.795456 O\n0.454226 0.251788 0.704544 O\n0.045774 0.751788 0.704544 O\n0.647580 0.662849 0.934994 O\n0.852420 0.162849 0.934994 O\n0.165707 0.486043 0.897961 O\n0.334293 0.986043 0.897961 O\n0.665707 0.013957 0.102039 O\n0.834293 0.513957 0.102039 O\n0.147580 0.837151 0.065006 O\n0.352420 0.337151 0.065006 O\n0.954226 0.248212 0.295456 O\n0.545774 0.748212 0.295456 O\n0.454226 0.248212 0.204544 O\n0.045774 0.748212 0.204544 O\n0.647580 0.837151 0.434994 O\n0.852420 0.337151 0.434994 O\n0.165707 0.013957 0.397961 O\n0.334293 0.513957 0.397961 O\n",
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}
]
}