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{
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"results": [
{
"id": "mp-753303",
"created_at": "2022-09-04T14:39:05.796768Z",
"structure_string": "Mg22 Mn4 O26\n1.0\n4.302114 -2.148576 -2.148576\n-2.151056 12.925161 -15.073737\n4.302114 2.148576 2.148576\nMg Mn O\n22 4 26\ndirect\n0.500000 0.307692 0.653846 Mg\n0.000000 0.307692 0.153846 Mg\n0.500000 0.156039 0.578019 Mg\n0.000000 0.156039 0.078019 Mg\n0.500000 0.459346 0.729673 Mg\n0.000000 0.459346 0.229673 Mg\n0.500000 0.770635 0.885318 Mg\n0.000000 0.770635 0.385318 Mg\n0.500000 0.844750 0.422375 Mg\n0.000000 0.844750 0.922375 Mg\n0.500000 0.921744 0.960871 Mg\n0.000000 0.921744 0.460871 Mg\n0.500000 0.693641 0.346821 Mg\n0.000000 0.693641 0.846821 Mg\n0.500000 0.231508 0.115754 Mg\n0.000000 0.231508 0.615754 Mg\n0.500000 0.383877 0.191938 Mg\n0.000000 0.383877 0.691938 Mg\n0.500000 0.079156 0.039578 Mg\n0.000000 0.079156 0.539578 Mg\n0.500000 0.536229 0.268114 Mg\n0.000000 0.536229 0.768114 Mg\n0.000000 0.615218 0.307609 Mn\n0.500000 0.000166 0.500083 Mn\n0.500000 0.615218 0.807609 Mn\n0.000000 0.000166 0.000083 Mn\n0.750000 0.307692 0.903846 O\n0.250000 0.307692 0.403846 O\n0.250000 0.082228 0.791114 O\n0.750000 0.082228 0.291114 O\n0.250000 0.533157 0.016578 O\n0.750000 0.533157 0.516578 O\n0.250000 0.383482 0.941740 O\n0.750000 0.383482 0.441740 O\n0.250000 0.231903 0.865952 O\n0.750000 0.231903 0.365952 O\n0.250000 0.697169 0.098584 O\n0.750000 0.697169 0.598584 O\n0.750000 0.918216 0.209109 O\n0.250000 0.918216 0.709109 O\n0.250000 0.846501 0.173251 O\n0.750000 0.846501 0.673251 O\n0.750000 0.768883 0.134442 O\n0.250000 0.768883 0.634442 O\n0.750000 0.460393 0.980197 O\n0.250000 0.460393 0.480197 O\n0.750000 0.154992 0.827495 O\n0.250000 0.154992 0.327495 O\n0.750000 0.615025 0.057513 O\n0.250000 0.615025 0.557513 O\n0.750000 0.000360 0.750179 O\n0.250000 0.000360 0.250179 O\n",
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"formula_full": "Mg22 Mn4 O26",
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"updated_at": "2021-11-28T01:34:29.467000Z",
"spacegroup": 71
},
{
"id": "mp-1235587",
"created_at": "2022-09-04T14:39:05.873188Z",
"structure_string": "Li1 Ni9 O13\n1.0\n2.886867 0.000889 -0.001081\n-1.441911 4.833939 -0.772411\n-0.005717 -0.076353 16.109197\nLi Ni O\n1 9 13\ndirect\n0.792037 0.586247 0.770680 Li\n0.498983 0.997412 0.497197 Ni\n0.647131 0.295508 0.049229 Ni\n0.353445 0.707554 0.961489 Ni\n0.747706 0.494674 0.411257 Ni\n0.252306 0.504222 0.579849 Ni\n0.937946 0.875595 0.125759 Ni\n0.066009 0.133257 0.876221 Ni\n0.993761 0.986707 0.332335 Ni\n0.011050 0.022705 0.666683 Ni\n0.997096 0.994595 0.013393 O\n0.876290 0.751250 0.227098 O\n0.137614 0.274835 0.771578 O\n0.297456 0.598140 0.076242 O\n0.701286 0.403615 0.933181 O\n0.566274 0.131568 0.153087 O\n0.427434 0.855894 0.857540 O\n0.609837 0.220226 0.308631 O\n0.384550 0.768983 0.685524 O\n0.383989 0.766829 0.381360 O\n0.617699 0.235531 0.611205 O\n0.125206 0.249887 0.455666 O\n0.866565 0.732263 0.529797 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 5.493220754421107,
"density_atomic": 0.10238006483370585,
"volume": 224.65311032336714,
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"formula_full": "Li1 Ni9 O13",
"formula_reduced": "LiNi9O13",
"formula_anonymous": "AB9C13",
"energy": -140.56199069000002,
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"spacegroup": 8
},
{
"id": "mp-1042603",
"created_at": "2022-09-04T14:39:05.448855Z",
"structure_string": "Ca8 Cr16 Co8 O56\n1.0\n6.842466 0.002860 0.000000\n-1.869579 11.131226 0.000000\n0.000000 0.000000 14.643790\nCa Cr Co O\n8 16 8 56\ndirect\n0.077782 0.727785 0.502496 Ca\n0.330228 0.962194 0.879873 Ca\n0.669772 0.537806 0.379873 Ca\n0.669772 0.037806 0.120127 Ca\n0.330228 0.462194 0.620127 Ca\n0.077782 0.227785 0.997504 Ca\n0.922218 0.272215 0.497504 Ca\n0.922218 0.772215 0.002496 Ca\n0.841367 0.984697 0.869007 Cr\n0.422565 0.689482 0.015376 Cr\n0.422565 0.189482 0.484624 Cr\n0.577435 0.310518 0.984624 Cr\n0.505606 0.786110 0.704118 Cr\n0.494394 0.713890 0.204118 Cr\n0.494394 0.213890 0.295882 Cr\n0.505606 0.286110 0.795882 Cr\n0.577435 0.810518 0.515376 Cr\n0.868903 0.482832 0.136743 Cr\n0.131097 0.017168 0.636743 Cr\n0.131097 0.517168 0.863257 Cr\n0.158633 0.515303 0.369007 Cr\n0.841367 0.484697 0.630993 Cr\n0.158633 0.015303 0.130993 Cr\n0.868903 0.982832 0.363257 Cr\n0.634048 0.073268 0.672091 Co\n0.365952 0.426732 0.172091 Co\n0.365952 0.926732 0.327909 Co\n0.634048 0.573268 0.827909 Co\n0.998933 0.248808 0.754025 Co\n0.001067 0.251192 0.254025 Co\n0.001067 0.751192 0.245975 Co\n0.998933 0.748808 0.745975 Co\n0.758956 0.956345 0.977460 O\n0.241044 0.543655 0.477460 O\n0.241044 0.043655 0.022540 O\n0.758956 0.456345 0.522540 O\n0.991720 0.875034 0.851568 O\n0.008280 0.624966 0.351567 O\n0.008280 0.124966 0.148432 O\n0.991720 0.375034 0.648432 O\n0.995692 0.121043 0.857488 O\n0.004308 0.378957 0.357488 O\n0.004308 0.878957 0.142512 O\n0.995692 0.621043 0.642512 O\n0.685292 0.955665 0.288434 O\n0.314708 0.544335 0.788434 O\n0.314708 0.044335 0.711566 O\n0.685292 0.455665 0.211566 O\n0.966948 0.129342 0.363064 O\n0.033052 0.370658 0.863064 O\n0.033052 0.870658 0.636936 O\n0.966948 0.629342 0.136936 O\n0.043938 0.895896 0.339603 O\n0.378914 0.830179 0.441621 O\n0.956062 0.604104 0.839603 O\n0.043938 0.395896 0.160397 O\n0.731584 0.709607 0.479165 O\n0.268416 0.790393 0.979165 O\n0.268416 0.290393 0.520835 O\n0.731584 0.209607 0.020835 O\n0.775865 0.950256 0.466198 O\n0.224135 0.549744 0.966198 O\n0.224135 0.049744 0.533802 O\n0.775865 0.450257 0.033802 O\n0.424287 0.198428 0.894078 O\n0.575713 0.301572 0.394078 O\n0.575713 0.801572 0.105922 O\n0.424287 0.698428 0.605922 O\n0.693654 0.220379 0.751026 O\n0.306346 0.279621 0.251026 O\n0.306346 0.779621 0.248974 O\n0.693654 0.720379 0.748974 O\n0.635360 0.468447 0.702205 O\n0.364640 0.031553 0.202205 O\n0.364640 0.531553 0.297795 O\n0.635360 0.968447 0.797795 O\n0.297165 0.296584 0.736852 O\n0.702835 0.203416 0.236852 O\n0.702835 0.703416 0.263148 O\n0.297165 0.796584 0.763148 O\n0.595835 0.404867 0.876515 O\n0.404165 0.095133 0.376515 O\n0.404165 0.595133 0.123485 O\n0.595835 0.904867 0.623485 O\n0.378914 0.330179 0.058379 O\n0.621086 0.169821 0.558379 O\n0.621086 0.669821 0.941621 O\n0.956062 0.104104 0.660397 O\n",
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"elements": [
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],
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"density": 3.7515341142821685,
"density_atomic": 0.07889383069995531,
"volume": 1115.4230846601527,
"volume_molar": 7.633221389519132,
"formula_full": "Ca8 Cr16 Co8 O56",
"formula_reduced": "CaCr2CoO7",
"formula_anonymous": "ABC2D7",
"energy": -683.6516185999999,
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"updated_at": "2021-11-28T01:34:40.140000Z",
"spacegroup": 14
},
{
"id": "mp-1523198",
"created_at": "2022-09-04T14:39:06.541303Z",
"structure_string": "K1 La1 Eu1 W1 O6\n1.0\n0.000000 -4.269888 -4.269888\n4.269888 0.000000 -4.269888\n4.269888 -4.269888 0.000000\nK La Eu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 W\n0.730032 0.269968 0.269968 O\n0.269968 0.730032 0.730032 O\n0.730032 0.269968 0.730032 O\n0.269968 0.730032 0.269968 O\n0.730032 0.730032 0.269968 O\n0.269968 0.269968 0.730032 O\n",
"nsites": 10,
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"elements": [
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"Eu",
"W",
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],
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"density": 6.503693125338188,
"density_atomic": 0.06422743136401621,
"volume": 155.69671381257444,
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"formula_full": "K1 La1 Eu1 W1 O6",
"formula_reduced": "KLaEuWO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:34:42.580000Z",
"spacegroup": 216
},
{
"id": "mp-1233210",
"created_at": "2022-09-04T14:39:06.644807Z",
"structure_string": "Mg1 Fe7 Ni6 O16\n1.0\n4.304294 -4.229357 -0.041737\n-4.262157 -0.012483 -4.288749\n8.649600 4.228013 -4.377757\nMg Fe Ni O\n1 7 6 16\ndirect\n0.066111 0.461616 0.341536 Mg\n0.325631 0.711585 0.081775 Fe\n0.023554 0.934922 0.835134 Fe\n0.579598 0.964485 0.330888 Fe\n0.206253 0.151683 0.076336 Fe\n0.657289 0.417895 0.158537 Fe\n0.539887 0.943234 0.827611 Fe\n0.024241 0.438393 0.839706 Fe\n0.067326 0.966098 0.338903 Ni\n0.308062 0.691105 0.573948 Ni\n0.795443 0.692201 0.571226 Ni\n0.308085 0.207339 0.575041 Ni\n0.800632 0.202042 0.583145 Ni\n0.537196 0.439408 0.829014 Ni\n0.445459 0.599616 0.217406 O\n0.191583 0.833507 0.458668 O\n0.683960 0.850417 0.464199 O\n0.161192 0.324592 0.472558 O\n0.977487 0.607449 0.214175 O\n0.445767 0.085020 0.216918 O\n0.682728 0.319952 0.465370 O\n0.939387 0.100113 0.234819 O\n0.174918 0.822070 0.939915 O\n0.429589 0.578879 0.702013 O\n0.653507 0.804819 0.932025 O\n0.164017 0.301755 0.937902 O\n0.923109 0.579500 0.711761 O\n0.411764 0.063721 0.711366 O\n0.912827 0.056921 0.709167 O\n0.625898 0.297581 0.961438 O\n",
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{
"id": "mp-726237",
"created_at": "2022-09-04T14:39:05.772379Z",
"structure_string": "Rb8 Tl4 Cl20 O4\n1.0\n7.897387 0.000000 0.000000\n0.000000 10.488828 0.000000\n0.000000 0.000000 13.660420\nRb Tl Cl O\n8 4 20 4\ndirect\n0.683583 0.487079 0.361828 Rb\n0.816417 0.012921 0.861828 Rb\n0.316417 0.987079 0.638172 Rb\n0.183583 0.512921 0.138172 Rb\n0.316417 0.512921 0.638172 Rb\n0.183583 0.987079 0.138172 Rb\n0.683583 0.012921 0.361828 Rb\n0.816417 0.487079 0.861828 Rb\n0.733936 0.750000 0.110084 Tl\n0.766064 0.750000 0.610084 Tl\n0.266064 0.250000 0.889916 Tl\n0.233936 0.250000 0.389916 Tl\n0.977463 0.750000 0.986734 Cl\n0.522537 0.750000 0.486734 Cl\n0.022537 0.250000 0.013266 Cl\n0.477463 0.250000 0.513266 Cl\n0.911154 0.750000 0.264904 Cl\n0.588846 0.750000 0.764904 Cl\n0.088846 0.250000 0.735096 Cl\n0.411154 0.250000 0.235096 Cl\n0.422450 0.750000 0.217080 Cl\n0.077550 0.750000 0.717080 Cl\n0.577550 0.250000 0.782920 Cl\n0.922450 0.250000 0.282920 Cl\n0.693629 0.508317 0.101992 Cl\n0.806371 0.991683 0.601992 Cl\n0.306371 0.008317 0.898008 Cl\n0.193629 0.491683 0.398008 Cl\n0.306371 0.491683 0.898008 Cl\n0.193629 0.008317 0.398008 Cl\n0.693629 0.991683 0.101992 Cl\n0.806371 0.508317 0.601992 Cl\n0.464343 0.750000 0.043593 O\n0.035657 0.750000 0.543593 O\n0.535657 0.250000 0.956407 O\n0.964343 0.250000 0.456407 O\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "Rb8 Tl4 Cl20 O4",
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"energy": -110.82921113,
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"spacegroup": 62
},
{
"id": "mp-860799",
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"structure_string": "Li8 Mn2 P12 O36\n1.0\n3.930726 6.241563 0.000000\n-3.930726 6.241563 0.000000\n0.000000 1.012806 13.995371\nLi Mn P O\n8 2 12 36\ndirect\n0.960318 0.700306 0.924336 Li\n0.700306 0.960318 0.424336 Li\n0.783216 0.558363 0.547251 Li\n0.558363 0.783216 0.047251 Li\n0.441637 0.216784 0.952749 Li\n0.216784 0.441637 0.452749 Li\n0.299694 0.039682 0.575664 Li\n0.039682 0.299694 0.075664 Li\n0.374509 0.625491 0.750000 Mn\n0.625491 0.374509 0.250000 Mn\n0.962662 0.853089 0.613034 P\n0.853089 0.962662 0.113034 P\n0.630640 0.908276 0.750821 P\n0.908276 0.630640 0.250821 P\n0.770633 0.398570 0.890375 P\n0.398570 0.770633 0.390375 P\n0.601430 0.229367 0.609625 P\n0.229367 0.601430 0.109625 P\n0.091724 0.369360 0.749179 P\n0.369360 0.091724 0.249179 P\n0.146911 0.037338 0.886966 P\n0.037338 0.146911 0.386966 P\n0.864658 0.816100 0.713866 O\n0.913003 0.753415 0.534934 O\n0.816100 0.864658 0.213866 O\n0.753415 0.913003 0.034934 O\n0.629908 0.901567 0.856865 O\n0.901567 0.629908 0.356865 O\n0.812938 0.504168 0.968559 O\n0.522875 0.813398 0.698189 O\n0.859330 0.447453 0.788520 O\n0.504168 0.812938 0.468559 O\n0.813398 0.522875 0.198189 O\n0.447453 0.859330 0.288520 O\n0.904261 0.157463 0.902055 O\n0.188506 0.823770 0.869541 O\n0.559530 0.428884 0.874057 O\n0.157463 0.904261 0.402055 O\n0.571116 0.440470 0.625943 O\n0.823770 0.188506 0.369541 O\n0.176230 0.811494 0.630459 O\n0.428884 0.559530 0.374057 O\n0.842537 0.095739 0.597945 O\n0.440470 0.571116 0.125943 O\n0.811494 0.176230 0.130459 O\n0.095739 0.842537 0.097945 O\n0.552547 0.140670 0.711480 O\n0.186602 0.477125 0.801811 O\n0.495832 0.187062 0.531441 O\n0.140670 0.552547 0.211480 O\n0.477125 0.186602 0.301811 O\n0.187062 0.495832 0.031441 O\n0.098433 0.370092 0.643135 O\n0.370092 0.098433 0.143135 O\n0.246585 0.086997 0.965066 O\n0.183900 0.135342 0.786134 O\n0.086997 0.246585 0.465066 O\n0.135342 0.183900 0.286134 O\n",
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"elements": [
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