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{
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{
"id": "mp-1044867",
"created_at": "2022-09-04T14:44:49.907572Z",
"structure_string": "Bi12 O24\n1.0\n3.481482 6.301883 0.000000\n-3.481482 6.301883 0.000000\n0.000000 0.675231 15.236387\nBi O\n12 24\ndirect\n0.338772 0.841991 0.211798 Bi\n0.347730 0.347730 0.167619 Bi\n0.008603 0.495804 0.473286 Bi\n0.841991 0.338772 0.211798 Bi\n0.022577 0.022577 0.452774 Bi\n0.824115 0.824115 0.649111 Bi\n0.838727 0.838727 0.234774 Bi\n0.658335 0.153481 0.835180 Bi\n0.495804 0.008603 0.473286 Bi\n0.658789 0.658789 0.830694 Bi\n0.153481 0.658335 0.835180 Bi\n0.151275 0.151275 0.961718 Bi\n0.726235 0.170134 0.144761 O\n0.496054 0.496054 0.261741 O\n0.670870 0.670870 0.151006 O\n0.170134 0.726235 0.144761 O\n0.365002 0.858669 0.406522 O\n0.460956 0.035462 0.253064 O\n0.165529 0.165529 0.541251 O\n0.023351 0.023351 0.288364 O\n0.148931 0.148931 0.125218 O\n0.330942 0.330942 0.414216 O\n0.858669 0.365002 0.406522 O\n0.035462 0.460956 0.253064 O\n0.957081 0.550496 0.745163 O\n0.101357 0.661360 0.560462 O\n0.694028 0.694028 0.558890 O\n0.797893 0.797893 0.905795 O\n0.815633 0.815633 0.395487 O\n0.952575 0.952575 0.735752 O\n0.550496 0.957081 0.745163 O\n0.661360 0.101357 0.560462 O\n0.831712 0.336217 0.897070 O\n0.312370 0.312370 0.910687 O\n0.506683 0.506683 0.771083 O\n0.336217 0.831712 0.897070 O\n",
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"spacegroup": 8
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{
"id": "mp-1184040",
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"structure_string": "Eu2 Ga2 O5\n1.0\n3.935874 0.000000 0.000000\n0.000000 3.935874 0.000000\n0.000000 0.000000 7.584103\nEu Ga O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.249549 Ga\n0.500000 0.500000 0.750451 Ga\n0.500000 0.000000 0.214298 O\n0.500000 0.000000 0.785702 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.214298 O\n0.000000 0.500000 0.785702 O\n",
"nsites": 9,
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"elements": [
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"density": 7.397281672171662,
"density_atomic": 0.07660478768965517,
"volume": 117.48612941088241,
"volume_molar": 7.8613112073323315,
"formula_full": "Eu2 Ga2 O5",
"formula_reduced": "Eu2Ga2O5",
"formula_anonymous": "A2B2C5",
"energy": -75.12588087,
"energy_per_atom": -8.347320096666667,
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"updated_at": "2021-11-28T01:36:46.079000Z",
"spacegroup": 123
},
{
"id": "mp-12546",
"created_at": "2022-09-04T14:44:49.958284Z",
"structure_string": "Ti2 Cu6\n1.0\n4.307738 0.000000 0.000000\n0.000000 4.430132 0.000000\n0.000000 0.000000 5.426953\nTi Cu\n2 6\ndirect\n0.500000 0.660688 0.500000 Ti\n0.000000 0.339312 0.000000 Ti\n0.000000 0.832476 0.746906 Cu\n0.500000 0.167524 0.753094 Cu\n0.500000 0.680679 0.000000 Cu\n0.000000 0.319321 0.500000 Cu\n0.500000 0.167524 0.246906 Cu\n0.000000 0.832476 0.253094 Cu\n",
"nsites": 8,
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"elements": [
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"density": 7.648117874888363,
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"volume": 103.56714594575045,
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"formula_full": "Ti2 Cu6",
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"energy": -41.13222399,
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"updated_at": "2021-11-28T01:36:44.111000Z",
"spacegroup": 59
},
{
"id": "mp-1277156",
"created_at": "2022-09-04T14:44:49.957267Z",
"structure_string": "La8 Zn4 Co4 O24\n1.0\n4.792576 -0.024982 2.642551\n-1.625274 -4.596360 8.289682\n1.684025 -9.088791 -2.630675\nLa Zn Co O\n8 4 4 24\ndirect\n0.315377 0.373963 0.435835 La\n0.565808 0.879263 0.182736 La\n0.815624 0.370669 0.939440 La\n0.063266 0.878629 0.688283 La\n0.435543 0.118856 0.817758 La\n0.684601 0.626803 0.560476 La\n0.935871 0.122776 0.311254 La\n0.183605 0.628760 0.064420 La\n0.875519 0.247925 0.625218 Zn\n0.124838 0.751823 0.372625 Zn\n0.376134 0.248382 0.126497 Zn\n0.623692 0.751532 0.875759 Zn\n0.500232 0.999718 0.500399 Co\n0.750203 0.499371 0.250720 Co\n0.000242 0.000403 0.999266 Co\n0.249728 0.500309 0.749513 Co\n0.732826 0.085211 0.573850 O\n0.980546 0.583734 0.326854 O\n0.235842 0.087937 0.073312 O\n0.481741 0.585204 0.823653 O\n0.925087 0.158245 0.834646 O\n0.178458 0.652268 0.587421 O\n0.428005 0.153429 0.339709 O\n0.680360 0.653066 0.088573 O\n0.516359 0.383986 0.655957 O\n0.765491 0.883301 0.404322 O\n0.018421 0.383427 0.154918 O\n0.267769 0.880474 0.902417 O\n0.019819 0.415940 0.674483 O\n0.267123 0.913799 0.427491 O\n0.517306 0.415355 0.175951 O\n0.764682 0.912929 0.924564 O\n0.235827 0.116033 0.596965 O\n0.482180 0.613808 0.347207 O\n0.731668 0.120616 0.095680 O\n0.982443 0.618701 0.842163 O\n0.821643 0.344147 0.413425 O\n0.073527 0.843809 0.164158 O\n0.320097 0.350473 0.911087 O\n0.572499 0.844926 0.660993 O\n",
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"nelements": 4,
"elements": [
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"Zn",
"Co",
"O"
],
"chemical_system": "Co-La-O-Zn",
"density": 6.91802215646443,
"density_atomic": 0.08363212307610565,
"volume": 478.28511974519404,
"volume_molar": 7.200750786297535,
"formula_full": "La8 Zn4 Co4 O24",
"formula_reduced": "La2ZnCoO6",
"formula_anonymous": "ABC2D6",
"energy": -297.63045727,
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"updated_at": "2021-11-28T01:36:43.609000Z",
"spacegroup": 2
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{
"id": "mp-1175725",
"created_at": "2022-09-04T14:44:49.959481Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.913776 0.000000 0.000000\n-2.628998 -5.890192 0.000000\n-2.877564 0.150013 -8.105327\nLi Mn Co O\n9 2 5 16\ndirect\n0.735540 0.754885 0.245899 Li\n0.252052 0.996950 0.505111 Li\n0.266384 0.753105 0.248397 Li\n0.748623 0.998256 0.501434 Li\n0.741992 0.248898 0.750777 Li\n0.259012 0.246144 0.754366 Li\n0.244981 0.503374 0.998385 Li\n0.753248 0.500262 0.994675 Li\n0.499794 0.997921 0.998059 Li\n0.001861 0.999103 0.997420 Mn\n0.496626 0.245198 0.249045 Mn\n0.996735 0.499138 0.500881 Co\n0.502329 0.753392 0.750769 Co\n0.987833 0.243209 0.248346 Co\n0.498926 0.501894 0.500531 Co\n0.015277 0.757194 0.751793 Co\n0.141745 0.020863 0.241086 O\n0.606991 0.260853 0.489127 O\n0.617464 0.014547 0.252737 O\n0.106510 0.264445 0.482583 O\n0.112512 0.510532 0.738614 O\n0.612976 0.515234 0.736862 O\n0.659288 0.773741 0.989926 O\n0.111694 0.757759 0.988375 O\n0.385623 0.490414 0.262469 O\n0.889141 0.736356 0.511132 O\n0.843503 0.468737 0.256956 O\n0.379920 0.733062 0.509130 O\n0.383599 0.982088 0.750106 O\n0.900963 0.997914 0.762798 O\n0.891963 0.240014 0.018145 O\n0.354894 0.234520 0.014063 O\n",
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"density": 4.252295258255739,
"density_atomic": 0.11334049778566868,
"volume": 282.33509315014,
"volume_molar": 5.313317726368296,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.07495401,
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"spacegroup": 1
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{
"id": "mp-754173",
"created_at": "2022-09-04T14:44:49.965176Z",
"structure_string": "Sm4 Cu4 O10\n1.0\n3.766614 0.000000 0.000000\n0.000000 5.789798 0.000000\n0.000000 0.000000 9.891871\nSm Cu O\n4 4 10\ndirect\n0.500000 0.144459 0.849603 Sm\n0.500000 0.355541 0.349603 Sm\n0.500000 0.644459 0.650397 Sm\n0.500000 0.855541 0.150397 Sm\n0.000000 0.189037 0.592962 Cu\n0.000000 0.310963 0.092962 Cu\n0.000000 0.689037 0.907038 Cu\n0.000000 0.810963 0.407038 Cu\n0.000000 0.000000 0.000000 O\n0.000000 0.099202 0.300940 O\n0.500000 0.234058 0.602466 O\n0.500000 0.265942 0.102466 O\n0.000000 0.400798 0.800940 O\n0.000000 0.500000 0.500000 O\n0.000000 0.599202 0.199060 O\n0.500000 0.734058 0.897534 O\n0.500000 0.765942 0.397534 O\n0.000000 0.900798 0.699060 O\n",
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"elements": [
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"density": 7.817835258965804,
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"volume": 215.72127192217874,
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"formula_full": "Sm4 Cu4 O10",
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"energy": -129.22052348,
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{
"id": "mp-1208132",
"created_at": "2022-09-04T14:44:49.955438Z",
"structure_string": "Tl4 Ag4 P8 O24\n1.0\n-6.250878 0.000000 0.622555\n-0.063321 0.000000 -7.621588\n0.000000 -13.543984 0.000000\nTl Ag P O\n4 4 8 24\ndirect\n0.299318 0.732016 0.668734 Tl\n0.700682 0.267984 0.331266 Tl\n0.700682 0.767984 0.168734 Tl\n0.299318 0.232016 0.831266 Tl\n0.815193 0.695816 0.472020 Ag\n0.184807 0.304184 0.527980 Ag\n0.184807 0.804184 0.972020 Ag\n0.815193 0.195816 0.027980 Ag\n0.689098 0.848073 0.866728 P\n0.310902 0.151927 0.133272 P\n0.310902 0.651927 0.366728 P\n0.689098 0.348073 0.633272 P\n0.846088 0.994418 0.673436 P\n0.153912 0.005582 0.326564 P\n0.153912 0.505582 0.173436 P\n0.846088 0.494418 0.826564 P\n0.932210 0.931841 0.353900 O\n0.067790 0.068159 0.646100 O\n0.067790 0.568159 0.853900 O\n0.932210 0.431841 0.146100 O\n0.466205 0.901491 0.849955 O\n0.533795 0.098509 0.150045 O\n0.533795 0.598509 0.349955 O\n0.466205 0.401491 0.650045 O\n0.737840 0.834915 0.622409 O\n0.262160 0.165085 0.377591 O\n0.262160 0.665085 0.122409 O\n0.737840 0.334915 0.877591 O\n0.857103 0.953579 0.791641 O\n0.142897 0.046421 0.208359 O\n0.142897 0.546421 0.291641 O\n0.857103 0.453579 0.708359 O\n0.790372 0.867236 0.967306 O\n0.209628 0.132764 0.032694 O\n0.209628 0.632764 0.467306 O\n0.790372 0.367236 0.532694 O\n0.679512 0.645835 0.828631 O\n0.320488 0.354165 0.171369 O\n0.320488 0.854165 0.328631 O\n0.679512 0.145835 0.671369 O\n",
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{
"id": "mp-1026387",
"created_at": "2022-09-04T14:44:49.956707Z",
"structure_string": "Mg14 Ti1 Ga1\n1.0\n6.292833 0.000000 -0.000000\n-3.146416 5.449752 0.000000\n-0.000000 0.000000 10.191577\nMg Ti Ga\n14 1 1\ndirect\n0.169123 0.834561 0.125000 Mg\n0.165910 0.832955 0.625000 Mg\n0.665439 0.330877 0.125000 Mg\n0.667045 0.334090 0.625000 Mg\n0.665439 0.834561 0.125000 Mg\n0.667045 0.832955 0.625000 Mg\n0.329636 0.170364 0.375008 Mg\n0.329636 0.170364 0.874992 Mg\n0.329636 0.659274 0.375008 Mg\n0.329636 0.659274 0.874992 Mg\n0.840726 0.170364 0.375008 Mg\n0.840726 0.170364 0.874992 Mg\n0.833333 0.666667 0.373457 Mg\n0.833333 0.666667 0.876543 Mg\n0.166667 0.333333 0.125000 Ti\n0.166667 0.333333 0.625000 Ga\n",
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"formula_full": "Mg14 Ti1 Ga1",
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{
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{
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{
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}