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"results": [
{
"id": "mp-1202377",
"created_at": "2022-09-04T14:40:08.429708Z",
"structure_string": "Zr4 Te8 Br4 O22\n1.0\n7.965335 0.000000 0.000000\n-1.453260 9.788696 0.000000\n-3.235805 -4.774300 9.162573\nZr Te Br O\n4 8 4 22\ndirect\n0.887988 0.111230 0.619242 Zr\n0.112012 0.888770 0.380758 Zr\n0.624085 0.389611 0.892132 Zr\n0.375915 0.610389 0.107868 Zr\n0.254745 0.010650 0.786138 Te\n0.745255 0.989350 0.213862 Te\n0.485200 0.259844 0.479960 Te\n0.514800 0.740156 0.520040 Te\n0.781117 0.481681 0.256331 Te\n0.218883 0.518319 0.743669 Te\n0.986074 0.240501 0.991997 Te\n0.013926 0.759499 0.008003 Te\n0.098419 0.374412 0.365070 Br\n0.901581 0.625588 0.634930 Br\n0.633501 0.885930 0.891808 Br\n0.366499 0.114070 0.108192 Br\n0.513578 0.359761 0.677133 O\n0.486422 0.640239 0.322867 O\n0.682020 0.173642 0.497645 O\n0.317980 0.826358 0.502355 O\n0.067895 0.111813 0.825487 O\n0.932105 0.888187 0.174513 O\n0.584673 0.492327 0.104247 O\n0.415327 0.507673 0.895753 O\n0.818476 0.364936 0.076633 O\n0.181524 0.635064 0.923367 O\n0.817072 0.244021 0.821223 O\n0.182928 0.755979 0.178777 O\n0.105505 0.990538 0.596523 O\n0.894495 0.009462 0.403477 O\n0.930695 0.676578 0.318371 O\n0.069305 0.323422 0.681629 O\n0.705401 0.917293 0.580617 O\n0.294599 0.082707 0.419383 O\n0.172691 0.418496 0.052829 O\n0.827309 0.581504 0.947171 O\n0.441726 0.179467 0.831894 O\n0.558274 0.820533 0.168106 O\n",
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"formula_full": "Zr4 Te8 Br4 O22",
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"spacegroup": 2
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{
"id": "mp-1227020",
"created_at": "2022-09-04T14:40:08.467638Z",
"structure_string": "Ca2 Zn2 Ag2\n1.0\n2.329819 5.354634 0.000000\n-2.329819 5.354634 0.000000\n0.000000 4.946517 5.442014\nCa Zn Ag\n2 2 2\ndirect\n0.451681 0.451681 0.300144 Ca\n0.548319 0.548319 0.699856 Ca\n0.159429 0.159429 0.895321 Zn\n0.840571 0.840571 0.104679 Zn\n0.829570 0.829570 0.731228 Ag\n0.170430 0.170430 0.268772 Ag\n",
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"volume": 135.78181960126636,
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"formula_full": "Ca2 Zn2 Ag2",
"formula_reduced": "CaZnAg",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:48.355000Z",
"spacegroup": 12
},
{
"id": "mp-1235382",
"created_at": "2022-09-04T14:40:08.472313Z",
"structure_string": "Li1 Si6 O12\n1.0\n4.886455 -0.045730 1.758058\n1.929122 6.952297 2.175024\n0.135515 -0.037704 7.586934\nLi Si O\n1 6 12\ndirect\n0.315612 0.939372 0.452296 Li\n0.364717 0.347683 0.320148 Si\n0.036066 0.194991 0.143438 Si\n0.613539 0.658953 0.684793 Si\n0.937129 0.817770 0.858927 Si\n0.974356 0.234075 0.733803 Si\n0.003458 0.771494 0.272438 Si\n0.724063 0.428256 0.697182 O\n0.847241 0.048892 0.776317 O\n0.243737 0.576898 0.325817 O\n0.122487 0.960920 0.247854 O\n0.244897 0.213865 0.533660 O\n0.084997 0.226448 0.912820 O\n0.264785 0.737743 0.722476 O\n0.717136 0.721847 0.832130 O\n0.711418 0.294202 0.260685 O\n0.262449 0.288438 0.168332 O\n0.920900 0.770013 0.085179 O\n0.711012 0.777068 0.458312 O\n",
"nsites": 19,
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"elements": [
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"chemical_system": "Li-O-Si",
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"formula_full": "Li1 Si6 O12",
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},
{
"id": "mp-974865",
"created_at": "2022-09-04T14:40:08.476567Z",
"structure_string": "Nd1 Y3\n1.0\n5.098940 0.000000 0.000000\n0.000000 5.098940 0.000000\n0.000000 0.000000 5.098940\nNd Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n",
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"spacegroup": 221
},
{
"id": "mp-974336",
"created_at": "2022-09-04T14:40:26.113789Z",
"structure_string": "Ho2 O2\n1.0\n1.985196 -3.438460 0.000000\n1.985196 3.438460 0.000000\n0.000000 0.000000 4.820943\nHo O\n2 2\ndirect\n0.666667 0.333333 0.250000 Ho\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.750000 O\n0.333333 0.666667 0.250000 O\n",
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"elements": [
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"density": 9.129765945417732,
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"volume": 65.81567811599636,
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"formula_full": "Ho2 O2",
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"formula_anonymous": "AB",
"energy": -31.55837535,
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"spacegroup": 194
},
{
"id": "mp-1218647",
"created_at": "2022-09-04T14:40:08.649578Z",
"structure_string": "Sr8 Nb4 O18\n1.0\n-3.003044 4.153070 9.427315\n3.003044 -4.153070 9.427315\n3.003044 4.153070 -9.427315\nSr Nb O\n8 4 18\ndirect\n0.244863 0.500000 0.744863 Sr\n0.871829 0.139605 0.732224 Sr\n0.592619 0.860395 0.732224 Sr\n0.755137 0.500000 0.255137 Sr\n0.407381 0.139605 0.267776 Sr\n0.128171 0.860395 0.267776 Sr\n0.171241 0.671241 0.500000 Sr\n0.828759 0.328759 0.500000 Sr\n0.000000 0.000000 0.000000 Nb\n0.664604 0.664604 0.000000 Nb\n0.335396 0.335396 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.252042 0.000000 0.252042 O\n0.858927 0.635131 0.223796 O\n0.588665 0.364869 0.223796 O\n0.575549 0.304721 0.729171 O\n0.273232 0.025294 0.752062 O\n0.923491 0.699451 0.775961 O\n0.424451 0.153622 0.729171 O\n0.076509 0.852470 0.775961 O\n0.726768 0.478830 0.752062 O\n0.747958 0.000000 0.747958 O\n0.411335 0.635131 0.776204 O\n0.141073 0.364869 0.776204 O\n0.424451 0.695279 0.270829 O\n0.076509 0.300549 0.224039 O\n0.726768 0.974706 0.247938 O\n0.575549 0.846378 0.270829 O\n0.273232 0.521170 0.247938 O\n0.923491 0.147530 0.224039 O\n",
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"elements": [
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],
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"density": 4.803884290876352,
"density_atomic": 0.06378848653988144,
"volume": 470.3043076785274,
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"formula_full": "Sr8 Nb4 O18",
"formula_reduced": "Sr4Nb2O9",
"formula_anonymous": "A2B4C9",
"energy": -239.20004158,
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{
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"structure_string": "Pm1 Ge1 Pd2\n1.0\n0.000000 3.373084 3.373084\n3.373084 0.000000 3.373084\n3.373084 3.373084 0.000000\nPm Ge Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ge\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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{
"id": "mp-1189739",
"created_at": "2022-09-04T14:40:08.781669Z",
"structure_string": "Ba4 Y2 Ga2 Te10\n1.0\n2.261039 -10.223487 0.000000\n2.261039 10.223487 0.000000\n0.000000 0.000000 14.351051\nBa Y Ga Te\n4 2 2 10\ndirect\n0.872531 0.127469 0.179072 Ba\n0.127469 0.872531 0.679072 Ba\n0.879022 0.120978 0.817492 Ba\n0.120978 0.879022 0.317492 Ba\n0.794873 0.205127 0.479394 Y\n0.205127 0.794873 0.979394 Y\n0.559058 0.440942 0.075809 Ga\n0.440942 0.559058 0.575809 Ga\n0.647879 0.352121 0.496900 Te\n0.352121 0.647879 0.996900 Te\n0.704050 0.295950 0.835237 Te\n0.295950 0.704050 0.335237 Te\n0.686770 0.313230 0.132745 Te\n0.313230 0.686770 0.632745 Te\n0.498315 0.501685 0.236119 Te\n0.501685 0.498315 0.736119 Te\n0.954488 0.045512 0.467652 Te\n0.045512 0.954488 0.967652 Te\n",
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{
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{
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{
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"updated_at": "2021-11-28T01:34:46.877000Z",
"spacegroup": 33
},
{
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]
}