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{
"id": "mp-1223164",
"created_at": "2022-09-04T14:40:04.481494Z",
"structure_string": "La2 Nd1 Mn6 Si6\n1.0\n-1.999390 1.999390 15.917669\n1.999390 -1.999390 15.917669\n1.999390 1.999390 -15.917669\nLa Nd Mn Si\n2 1 6 6\ndirect\n0.666493 0.666493 0.000000 La\n0.333507 0.333507 0.000000 La\n0.000000 0.000000 0.000000 Nd\n0.582871 0.082871 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.917129 0.417129 0.500000 Mn\n0.082871 0.582871 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.417129 0.917129 0.500000 Mn\n0.541616 0.541616 0.000000 Si\n0.209345 0.209345 0.000000 Si\n0.876003 0.876003 0.000000 Si\n0.123997 0.123997 0.000000 Si\n0.790655 0.790655 0.000000 Si\n0.458384 0.458384 0.000000 Si\n",
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"formula_full": "La2 Nd1 Mn6 Si6",
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{
"id": "mp-2689",
"created_at": "2022-09-04T14:47:01.885615Z",
"structure_string": "Th1 Fe5\n1.0\n2.535532 -4.391671 0.000000\n2.535532 4.391671 0.000000\n0.000000 0.000000 4.044002\nTh Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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"formula_full": "Th1 Fe5",
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"updated_at": "2021-11-28T01:37:49.985000Z",
"spacegroup": 191
},
{
"id": "mp-568945",
"created_at": "2022-09-04T14:39:26.874544Z",
"structure_string": "Dy3 Co9\n1.0\n4.768784 0.016979 7.182905\n2.179910 4.241413 7.182905\n0.027706 0.016979 8.621755\nDy Co\n3 9\ndirect\n0.139477 0.139477 0.139477 Dy\n0.860523 0.860523 0.860523 Dy\n0.000000 0.000000 0.000000 Dy\n0.582165 0.078868 0.582165 Co\n0.582165 0.582165 0.078868 Co\n0.334975 0.334975 0.334975 Co\n0.921132 0.417835 0.417835 Co\n0.078868 0.582165 0.582165 Co\n0.417835 0.921132 0.417835 Co\n0.665025 0.665025 0.665025 Co\n0.500000 0.500000 0.500000 Co\n0.417835 0.417835 0.921132 Co\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "Co-Dy",
"density": 9.775301246482597,
"density_atomic": 0.06939971954055325,
"volume": 172.91136159401742,
"volume_molar": 8.677471321020258,
"formula_full": "Dy3 Co9",
"formula_reduced": "DyCo3",
"formula_anonymous": "AB3",
"energy": -79.91292141,
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"updated_at": "2021-11-28T01:34:33.064000Z",
"spacegroup": 166
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{
"id": "mp-1100576",
"created_at": "2022-09-04T14:42:18.777763Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.895843 0.000000 0.000000\n0.000000 5.905020 0.000000\n0.000000 0.097579 16.874039\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.751847 0.868452 Li\n0.500000 0.251651 0.624875 Li\n0.500000 0.742536 0.369164 Li\n0.000000 0.002311 0.747051 Li\n0.000000 0.500556 0.495510 Li\n0.000000 0.983205 0.256338 Li\n0.500000 0.256782 0.135857 Li\n0.000000 0.499312 0.002459 Li\n0.000000 0.509063 0.255987 Li\n0.000000 0.002125 0.002431 Mn\n0.500000 0.746378 0.136406 Mn\n0.000000 0.503754 0.746814 Co\n0.000000 0.995434 0.495582 Co\n0.500000 0.752793 0.622081 Co\n0.500000 0.254094 0.368242 Co\n0.500000 0.249207 0.870815 Co\n0.500000 0.774314 0.011300 O\n0.500000 0.265999 0.750467 O\n0.500000 0.762063 0.499645 O\n0.000000 0.019189 0.873231 O\n0.000000 0.512954 0.624213 O\n0.000000 0.013716 0.376704 O\n0.500000 0.245734 0.265854 O\n0.000000 0.525855 0.127758 O\n0.500000 0.741644 0.744316 O\n0.500000 0.235547 0.484925 O\n0.500000 0.743313 0.244435 O\n0.000000 0.994795 0.617062 O\n0.000000 0.476110 0.375690 O\n0.000000 0.973487 0.132783 O\n0.500000 0.230546 0.001089 O\n0.000000 0.483689 0.872462 O\n",
"nsites": 32,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.160761677493675,
"density_atomic": 0.11090076559926061,
"volume": 288.5462496772281,
"volume_molar": 5.430206660394913,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.01345522,
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"updated_at": "2021-11-28T01:35:44.103000Z",
"spacegroup": 6
},
{
"id": "mp-22706",
"created_at": "2022-09-04T14:41:25.797341Z",
"structure_string": "Mn6 Ge2 C2\n1.0\n-2.639896 2.639896 4.032082\n2.639896 -2.639896 4.032082\n2.639896 2.639896 -4.032082\nMn Ge C\n6 2 2\ndirect\n0.312857 0.187143 0.500000 Mn\n0.187143 0.687143 0.874286 Mn\n0.687143 0.812857 0.500000 Mn\n0.750000 0.750000 0.000000 Mn\n0.812857 0.312857 0.125714 Mn\n0.250000 0.250000 0.000000 Mn\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 10,
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"elements": [
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"C"
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"density": 7.370983610052205,
"density_atomic": 0.08896865334692816,
"volume": 112.39913861577261,
"volume_molar": 6.7688343404693425,
"formula_full": "Mn6 Ge2 C2",
"formula_reduced": "Mn3GeC",
"formula_anonymous": "ABC3",
"energy": -83.51132623,
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"updated_at": "2021-11-28T01:35:21.799000Z",
"spacegroup": 140
},
{
"id": "mp-20059",
"created_at": "2022-09-04T14:40:20.845354Z",
"structure_string": "Zr4 Mn4 Ge4\n1.0\n3.799786 0.000000 0.000000\n0.000000 6.743137 0.000000\n0.000000 0.000000 7.839903\nZr Mn Ge\n4 4 4\ndirect\n0.250000 0.533069 0.678969 Zr\n0.250000 0.033069 0.821031 Zr\n0.750000 0.966931 0.178969 Zr\n0.750000 0.466931 0.321031 Zr\n0.750000 0.866275 0.561781 Mn\n0.250000 0.133725 0.438219 Mn\n0.750000 0.366275 0.938219 Mn\n0.250000 0.633725 0.061781 Mn\n0.750000 0.737992 0.875819 Ge\n0.250000 0.762008 0.375819 Ge\n0.250000 0.262008 0.124181 Ge\n0.750000 0.237992 0.624181 Ge\n",
"nsites": 12,
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"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Zr",
"density": 7.234835394317547,
"density_atomic": 0.059737828960968284,
"volume": 200.87773875814273,
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"formula_full": "Zr4 Mn4 Ge4",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:54.213000Z",
"spacegroup": 62
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{
"id": "mp-1220185",
"created_at": "2022-09-04T14:48:09.428451Z",
"structure_string": "Nd4 Th4 U4 S20\n1.0\n7.479189 0.000000 0.000000\n0.000000 8.032425 0.000000\n0.000000 0.000000 12.052898\nNd Th U S\n4 4 4 20\ndirect\n0.977746 0.751969 0.931074 Nd\n0.522254 0.248031 0.431074 Nd\n0.022254 0.251969 0.568926 Nd\n0.477746 0.748031 0.068926 Nd\n0.023568 0.751120 0.574505 Th\n0.476432 0.248880 0.074505 Th\n0.976432 0.251120 0.925495 Th\n0.523568 0.748880 0.425495 Th\n0.430384 0.498069 0.755300 U\n0.069616 0.501931 0.255300 U\n0.569616 0.998069 0.744700 U\n0.930384 0.001931 0.244700 U\n0.663601 0.288152 0.652624 S\n0.836399 0.711848 0.152624 S\n0.336399 0.788152 0.847376 S\n0.163601 0.211848 0.347376 S\n0.336160 0.208986 0.851770 S\n0.163840 0.791014 0.351770 S\n0.663840 0.708986 0.648230 S\n0.836160 0.291014 0.148230 S\n0.302514 0.506232 0.535099 S\n0.197486 0.493768 0.035099 S\n0.697486 0.006232 0.964901 S\n0.802514 0.993768 0.464901 S\n0.670976 0.491674 0.936540 S\n0.829024 0.508326 0.436540 S\n0.329024 0.991674 0.563460 S\n0.170976 0.008326 0.063460 S\n0.040885 0.500657 0.750364 S\n0.459115 0.499343 0.250364 S\n0.959115 0.000657 0.749636 S\n0.540885 0.999343 0.249636 S\n",
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"density_atomic": 0.04419338928854848,
"volume": 724.0901979946565,
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"formula_full": "Nd4 Th4 U4 S20",
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{
"id": "mp-1566",
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"structure_string": "Sm1 Fe5\n1.0\n5.088748 0.000000 0.000000\n-2.544374 4.406985 0.000000\n0.000000 0.000000 3.944794\nSm Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n",
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{
"id": "mp-685138",
"created_at": "2022-09-04T14:40:58.702331Z",
"structure_string": "U4 As2 Se2\n1.0\n2.889999 6.461378 0.000000\n-2.889999 6.461378 0.000000\n0.000000 2.574994 5.169383\nU As Se\n4 2 2\ndirect\n0.873769 0.873769 0.880366 U\n0.375821 0.375821 0.370454 U\n0.126231 0.126231 0.119634 U\n0.624179 0.624179 0.629546 U\n0.624698 0.624698 0.130418 As\n0.375302 0.375302 0.869582 As\n0.124864 0.124864 0.627052 Se\n0.875136 0.875136 0.372948 Se\n",
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"volume": 193.05966446621852,
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"formula_full": "U4 As2 Se2",
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"formula_anonymous": "ABC2",
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{
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{
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"structure_string": "K6 Re3\n1.0\n4.734524 -8.200436 0.000000\n4.734524 8.200436 0.000000\n0.000000 0.000000 4.881495\nK Re\n6 3\ndirect\n0.410659 0.410659 0.000000 K\n0.589341 0.000000 0.000000 K\n0.000000 0.589341 0.000000 K\n0.742580 0.742580 0.500000 K\n0.257420 0.000000 0.500000 K\n0.000000 0.257420 0.500000 K\n0.000000 0.000000 0.000000 Re\n0.666667 0.333333 0.500000 Re\n0.333333 0.666667 0.500000 Re\n",
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{
"id": "mp-21474",
"created_at": "2022-09-04T14:48:31.528576Z",
"structure_string": "Eu1 Mn2 P2\n1.0\n1.882719 -3.260965 0.000000\n1.882719 3.260965 0.000000\n0.000000 0.000000 6.798409\nEu Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.618233 Mn\n0.333333 0.666667 0.381767 Mn\n0.666667 0.333333 0.292949 P\n0.333333 0.666667 0.707051 P\n",
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}
]
}