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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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"elements": [
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],
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"volume": 517.6110853259512,
"volume_molar": 5.994474643787016,
"formula_full": "Mg22 Mn4 O26",
"formula_reduced": "Mg11Mn2O13",
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"energy": -350.12207695,
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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,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 5.493220754421107,
"density_atomic": 0.10238006483370585,
"volume": 224.65311032336714,
"volume_molar": 5.8821419675614175,
"formula_full": "Li1 Ni9 O13",
"formula_reduced": "LiNi9O13",
"formula_anonymous": "AB9C13",
"energy": -140.56199069000002,
"energy_per_atom": -6.111390899565218,
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"updated_at": "2021-11-28T01:34:30.218000Z",
"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",
"nsites": 88,
"nelements": 4,
"elements": [
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"Cr",
"Co",
"O"
],
"chemical_system": "Ca-Co-Cr-O",
"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-1028379",
"created_at": "2022-09-04T14:39:05.895323Z",
"structure_string": "Mg14 Ni1 Mo1\n1.0\n6.259023 -0.000000 -0.000000\n-3.129512 5.420473 0.000000\n0.000000 -0.000000 9.730772\nMg Ni Mo\n14 1 1\ndirect\n0.164823 0.832411 0.125000 Mg\n0.171683 0.835841 0.625000 Mg\n0.667589 0.335177 0.125000 Mg\n0.664159 0.328317 0.625000 Mg\n0.667589 0.832411 0.125000 Mg\n0.664159 0.835841 0.625000 Mg\n0.323145 0.176854 0.371759 Mg\n0.323145 0.176854 0.878241 Mg\n0.323145 0.646292 0.371759 Mg\n0.323145 0.646292 0.878241 Mg\n0.853708 0.176854 0.371759 Mg\n0.853708 0.176854 0.878241 Mg\n0.833333 0.666667 0.378367 Mg\n0.833333 0.666667 0.871633 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 Mo\n",
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"elements": [
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"Ni",
"Mo"
],
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"density": 2.4893072567418018,
"density_atomic": 0.048465082115561615,
"volume": 330.13458972068,
"volume_molar": 12.425731056517401,
"formula_full": "Mg14 Ni1 Mo1",
"formula_reduced": "Mg14NiMo",
"formula_anonymous": "ABC14",
"energy": -37.12562726,
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"spacegroup": 187
},
{
"id": "mp-1074347",
"created_at": "2022-09-04T14:39:05.765410Z",
"structure_string": "Mg16 Si12\n1.0\n6.825505 0.000000 0.000000\n-2.163278 6.964237 0.000000\n-1.078979 -0.647881 11.457124\nMg Si\n16 12\ndirect\n0.634164 0.875949 0.945166 Mg\n0.695424 0.485736 0.871764 Mg\n0.134868 0.872958 0.462783 Mg\n0.117634 0.581796 0.256005 Mg\n0.164542 0.867635 0.862849 Mg\n0.026909 0.231112 0.895592 Mg\n0.550882 0.848577 0.399384 Mg\n0.345541 0.267852 0.355709 Mg\n0.411268 0.806861 0.664442 Mg\n0.304121 0.233579 0.686988 Mg\n0.913344 0.936180 0.223697 Mg\n0.762463 0.251014 0.314254 Mg\n0.971891 0.479753 0.665407 Mg\n0.868148 0.910756 0.660584 Mg\n0.615448 0.510333 0.139882 Mg\n0.384968 0.958148 0.156271 Mg\n0.629640 0.173881 0.546917 Si\n0.247095 0.524902 0.494504 Si\n0.425015 0.195261 0.979305 Si\n0.962260 0.718435 0.043946 Si\n0.317661 0.553104 0.831054 Si\n0.658066 0.146704 0.760494 Si\n0.774676 0.614627 0.364110 Si\n0.197617 0.279509 0.125015 Si\n0.618712 0.541184 0.546966 Si\n0.001807 0.190896 0.494196 Si\n0.256170 0.596843 0.032003 Si\n0.790622 0.203254 0.084843 Si\n",
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"elements": [
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],
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"volume": 544.6079099317697,
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"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
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"energy": -87.88604733,
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"spacegroup": 1
},
{
"id": "mp-1219245",
"created_at": "2022-09-04T14:39:05.267477Z",
"structure_string": "Sm4 Ta6 S4 O16\n1.0\n3.791153 0.000000 0.000000\n0.000000 9.908963 0.000000\n0.000000 0.000000 11.685879\nSm Ta S O\n4 6 4 16\ndirect\n0.501216 0.217634 0.343462 Sm\n0.501216 0.782366 0.656538 Sm\n0.498784 0.717634 0.156538 Sm\n0.498784 0.282366 0.843462 Sm\n0.000276 0.864319 0.416428 Ta\n0.000276 0.135681 0.583572 Ta\n0.999724 0.364319 0.083572 Ta\n0.999724 0.635681 0.916428 Ta\n0.017621 0.500000 0.500000 Ta\n0.982379 0.000000 0.000000 Ta\n0.513398 0.516676 0.352519 S\n0.513398 0.483324 0.647481 S\n0.486602 0.016676 0.147481 S\n0.486602 0.983324 0.852519 S\n0.003842 0.302786 0.472927 O\n0.003842 0.697214 0.527073 O\n0.996158 0.802786 0.027073 O\n0.996158 0.197214 0.972927 O\n0.999748 0.057526 0.393006 O\n0.999748 0.942474 0.606994 O\n0.000252 0.557526 0.106994 O\n0.000252 0.442474 0.893006 O\n0.000859 0.282493 0.227090 O\n0.000859 0.717507 0.772910 O\n0.999141 0.782493 0.272910 O\n0.999141 0.217507 0.727090 O\n0.500602 0.142858 0.546387 O\n0.500602 0.857142 0.453613 O\n0.499398 0.642858 0.953613 O\n0.499398 0.357142 0.046387 O\n",
"nsites": 30,
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"elements": [
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"Ta",
"S",
"O"
],
"chemical_system": "O-S-Sm-Ta",
"density": 7.835153083074611,
"density_atomic": 0.06833769893484012,
"volume": 438.9963441497342,
"volume_molar": 8.812325925317007,
"formula_full": "Sm4 Ta6 S4 O16",
"formula_reduced": "Sm2Ta3(SO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -281.6462473,
"energy_per_atom": -9.388208243333334,
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"updated_at": "2021-11-28T01:34:38.438000Z",
"spacegroup": 18
},
{
"id": "mp-860799",
"created_at": "2022-09-04T14:39:05.773095Z",
"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",
"nsites": 58,
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.69147351630889,
"density_atomic": 0.08445929509547519,
"volume": 686.7213364074985,
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"formula_full": "Li8 Mn2 P12 O36",
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