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{
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{
"id": "mp-766008",
"created_at": "2022-09-04T14:46:12.807926Z",
"structure_string": "Li4 Ti2 Fe3 Ni3 O16\n1.0\n2.904202 5.101099 0.000000\n-2.904202 5.101099 0.000000\n0.000000 0.176749 9.509717\nLi Ti Fe Ni O\n4 2 3 3 16\ndirect\n0.661694 0.661694 0.106580 Li\n0.996402 0.996402 0.006977 Li\n0.997489 0.997489 0.504007 Li\n0.337407 0.337407 0.600267 Li\n0.668972 0.668972 0.504486 Ti\n0.329308 0.329308 0.003536 Ti\n0.341085 0.831799 0.783287 Fe\n0.831799 0.341085 0.783287 Fe\n0.170854 0.170854 0.283238 Fe\n0.829533 0.829533 0.787800 Ni\n0.167166 0.660568 0.286795 Ni\n0.660568 0.167166 0.286795 Ni\n0.339424 0.847869 0.406748 O\n0.520881 0.520881 0.654290 O\n0.670825 0.670825 0.893659 O\n0.993613 0.993613 0.694472 O\n0.995307 0.995307 0.196229 O\n0.847869 0.339424 0.406748 O\n0.526687 0.962699 0.655674 O\n0.962699 0.526687 0.655674 O\n0.167482 0.167482 0.903599 O\n0.838120 0.838120 0.402089 O\n0.034058 0.470209 0.156908 O\n0.470209 0.034058 0.156908 O\n0.338662 0.338662 0.389416 O\n0.166166 0.666155 0.908910 O\n0.475897 0.475897 0.164287 O\n0.666155 0.166166 0.908910 O\n",
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{
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"created_at": "2022-09-04T14:46:12.816054Z",
"structure_string": "Li2 Nd4 Os2 O12\n1.0\n5.850069 0.000000 0.000000\n0.000000 5.476320 0.000000\n0.000000 5.395627 7.807912\nLi Nd Os O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.071379 0.768935 0.748640 Nd\n0.571379 0.231065 0.751360 Nd\n0.428621 0.768935 0.248640 Nd\n0.928621 0.231065 0.251360 Nd\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.500000 Os\n0.288189 0.265712 0.554974 O\n0.788189 0.734288 0.945026 O\n0.711811 0.734288 0.445026 O\n0.211811 0.265712 0.054974 O\n0.033449 0.642133 0.256358 O\n0.533449 0.357867 0.243642 O\n0.315057 0.845293 0.951039 O\n0.815057 0.154707 0.548961 O\n0.684943 0.154707 0.048961 O\n0.184943 0.845293 0.451039 O\n0.466551 0.642133 0.756358 O\n0.966551 0.357867 0.743642 O\n",
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"formula_full": "Li2 Nd4 Os2 O12",
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},
{
"id": "mp-1042685",
"created_at": "2022-09-04T14:46:12.822692Z",
"structure_string": "Ca8 Mn16 Co8 O56\n1.0\n6.794080 -0.089583 0.000000\n-2.008455 10.915382 0.000000\n0.000000 0.000000 14.503966\nCa Mn Co O\n8 16 8 56\ndirect\n0.083219 0.737281 0.507935 Ca\n0.322721 0.977112 0.873885 Ca\n0.677279 0.522888 0.373885 Ca\n0.677279 0.022888 0.126115 Ca\n0.322721 0.477112 0.626115 Ca\n0.083219 0.237281 0.992065 Ca\n0.916781 0.262719 0.492065 Ca\n0.916781 0.762719 0.007935 Ca\n0.834276 0.980358 0.869025 Mn\n0.414151 0.685196 0.015592 Mn\n0.414151 0.185196 0.484408 Mn\n0.585849 0.314804 0.984408 Mn\n0.503401 0.797224 0.709731 Mn\n0.496599 0.702776 0.209731 Mn\n0.496599 0.202776 0.290269 Mn\n0.503401 0.297224 0.790269 Mn\n0.585849 0.814804 0.515592 Mn\n0.871936 0.477252 0.141394 Mn\n0.128064 0.022748 0.641394 Mn\n0.128064 0.522748 0.858606 Mn\n0.165724 0.519642 0.369025 Mn\n0.834276 0.480358 0.630975 Mn\n0.165724 0.019642 0.130975 Mn\n0.871936 0.977252 0.358606 Mn\n0.630064 0.075380 0.674597 Co\n0.369936 0.424620 0.174597 Co\n0.369936 0.924620 0.325403 Co\n0.630064 0.575380 0.825403 Co\n0.993480 0.252825 0.753831 Co\n0.006520 0.247175 0.253831 Co\n0.006520 0.747175 0.246169 Co\n0.993480 0.752825 0.746169 Co\n0.760435 0.957748 0.978987 O\n0.239565 0.542252 0.478987 O\n0.239565 0.042252 0.021013 O\n0.760435 0.457748 0.521013 O\n0.985405 0.871578 0.856264 O\n0.014595 0.628422 0.356264 O\n0.014595 0.128422 0.143736 O\n0.985405 0.371578 0.643736 O\n0.999302 0.116863 0.855274 O\n0.000698 0.383137 0.355274 O\n0.000698 0.883137 0.144726 O\n0.999302 0.616863 0.644726 O\n0.668203 0.949540 0.286151 O\n0.331797 0.550460 0.786151 O\n0.331797 0.050460 0.713849 O\n0.668203 0.449540 0.213849 O\n0.976797 0.133026 0.359027 O\n0.023203 0.366974 0.859027 O\n0.023203 0.866974 0.640973 O\n0.976797 0.633026 0.140973 O\n0.050021 0.883331 0.340841 O\n0.391324 0.827546 0.441037 O\n0.949979 0.616669 0.840841 O\n0.050021 0.383331 0.159159 O\n0.724263 0.709923 0.482253 O\n0.275737 0.790077 0.982253 O\n0.275737 0.290077 0.517747 O\n0.724263 0.209923 0.017747 O\n0.774072 0.954207 0.467630 O\n0.225928 0.545793 0.967630 O\n0.225928 0.045793 0.532370 O\n0.774072 0.454207 0.032370 O\n0.415508 0.207684 0.896919 O\n0.584492 0.292316 0.396919 O\n0.584492 0.792316 0.103081 O\n0.415508 0.707684 0.603081 O\n0.710404 0.216037 0.758242 O\n0.289596 0.283963 0.258242 O\n0.289596 0.783963 0.241758 O\n0.710404 0.716037 0.741758 O\n0.625673 0.450916 0.705864 O\n0.374327 0.049084 0.205864 O\n0.374327 0.549084 0.294136 O\n0.625673 0.950916 0.794136 O\n0.269859 0.294818 0.733318 O\n0.730141 0.205182 0.233318 O\n0.730141 0.705182 0.266682 O\n0.269859 0.794818 0.766682 O\n0.617152 0.410708 0.880631 O\n0.382848 0.089292 0.380631 O\n0.382848 0.589292 0.119369 O\n0.617152 0.910708 0.619369 O\n0.391324 0.327546 0.058963 O\n0.608676 0.172454 0.558963 O\n0.608676 0.672454 0.941037 O\n0.949979 0.116669 0.659159 O\n",
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"elements": [
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"density": 3.972688244385583,
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"formula_full": "Ca8 Mn16 Co8 O56",
"formula_reduced": "CaMn2CoO7",
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"energy": -651.64648384,
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"spacegroup": 14
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{
"id": "mp-680692",
"created_at": "2022-09-04T14:46:12.656157Z",
"structure_string": "Ce8 Si6 S24\n1.0\n6.174546 -9.646798 0.000000\n6.174546 9.646798 0.000000\n-8.897124 0.000000 7.212968\nCe Si S\n8 6 24\ndirect\n0.972202 0.431452 0.206086 Ce\n0.431452 0.206086 0.972202 Ce\n0.472202 0.706086 0.931452 Ce\n0.998077 0.998077 0.998077 Ce\n0.931452 0.472202 0.706086 Ce\n0.498077 0.498077 0.498077 Ce\n0.706086 0.931452 0.472202 Ce\n0.206086 0.972202 0.431452 Ce\n0.353033 0.966891 0.139335 Si\n0.853033 0.639335 0.466891 Si\n0.966891 0.139335 0.353033 Si\n0.466891 0.853033 0.639335 Si\n0.639335 0.466891 0.853033 Si\n0.139335 0.353033 0.966891 Si\n0.300510 0.620456 0.586114 S\n0.614853 0.077514 0.347071 S\n0.120456 0.800510 0.086114 S\n0.891552 0.284753 0.818281 S\n0.188692 0.373705 0.182699 S\n0.818281 0.891552 0.284753 S\n0.318281 0.784753 0.391552 S\n0.284753 0.818281 0.891552 S\n0.114853 0.847071 0.577514 S\n0.688692 0.682699 0.873705 S\n0.077514 0.347071 0.614853 S\n0.086114 0.120456 0.800510 S\n0.873705 0.688692 0.682699 S\n0.682699 0.873705 0.688692 S\n0.847071 0.577514 0.114853 S\n0.347071 0.614853 0.077514 S\n0.800510 0.086114 0.120456 S\n0.182699 0.188692 0.373705 S\n0.373705 0.182699 0.188692 S\n0.577514 0.114853 0.847071 S\n0.586114 0.300510 0.620456 S\n0.391552 0.318281 0.784753 S\n0.784753 0.391552 0.318281 S\n0.620456 0.586114 0.300510 S\n",
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{
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{
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{
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{
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