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{
"id": "mp-752489",
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{
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"updated_at": "2021-11-28T01:37:38.796000Z",
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},
{
"id": "mp-755484",
"created_at": "2022-09-04T14:45:42.389227Z",
"structure_string": "Co4 Ni1 O8\n1.0\n2.806769 4.882346 0.000000\n-2.806769 4.882346 0.000000\n0.000000 3.331264 4.850420\nCo Ni O\n4 1 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Ni\n0.267321 0.267321 0.195568 O\n0.750938 0.278001 0.205160 O\n0.278001 0.750938 0.205160 O\n0.759125 0.759125 0.206163 O\n0.240875 0.240875 0.793837 O\n0.721999 0.249062 0.794840 O\n0.249062 0.721999 0.794840 O\n0.732679 0.732679 0.804432 O\n",
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"elements": [
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"density": 5.2765544252702306,
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"formula_full": "Co4 Ni1 O8",
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},
{
"id": "mp-1206425",
"created_at": "2022-09-04T14:46:29.187333Z",
"structure_string": "Co4 N1\n1.0\n3.724684 0.000000 0.000000\n0.000000 3.724684 0.000000\n0.000000 0.000000 3.724684\nCo N\n4 1\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Co4 N1",
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"updated_at": "2021-11-28T01:37:33.072000Z",
"spacegroup": 221
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{
"id": "mp-1213876",
"created_at": "2022-09-04T14:47:21.671647Z",
"structure_string": "Co16 Mo12 O48\n1.0\n5.165438 0.000000 0.000000\n0.000000 10.572197 0.000000\n0.000000 0.000000 17.938762\nCo Mo O\n16 12 48\ndirect\n0.101521 0.250000 0.249704 Co\n0.898479 0.750000 0.750296 Co\n0.398479 0.750000 0.749704 Co\n0.601521 0.250000 0.250296 Co\n0.245481 0.250000 0.697432 Co\n0.754519 0.750000 0.302568 Co\n0.254519 0.750000 0.197432 Co\n0.745481 0.250000 0.802568 Co\n0.254158 0.074390 0.525440 Co\n0.745842 0.925610 0.474560 Co\n0.245842 0.925610 0.025440 Co\n0.745842 0.574390 0.474560 Co\n0.754158 0.074390 0.974560 Co\n0.254158 0.425610 0.525440 Co\n0.754158 0.425610 0.974560 Co\n0.245842 0.574390 0.025440 Co\n0.294959 0.250000 0.057834 Mo\n0.705041 0.750000 0.942166 Mo\n0.205041 0.750000 0.557834 Mo\n0.794959 0.250000 0.442166 Mo\n0.281919 0.529555 0.343926 Mo\n0.718081 0.470445 0.656074 Mo\n0.218081 0.470445 0.843926 Mo\n0.718081 0.029555 0.656074 Mo\n0.781919 0.529555 0.156074 Mo\n0.281919 0.970445 0.343926 Mo\n0.781919 0.970445 0.156074 Mo\n0.218081 0.029555 0.843926 Mo\n0.349973 0.115808 0.295223 O\n0.650027 0.884192 0.704777 O\n0.150027 0.884192 0.795223 O\n0.650027 0.615808 0.704777 O\n0.849973 0.115808 0.204777 O\n0.349973 0.384192 0.295223 O\n0.849973 0.384192 0.204777 O\n0.150027 0.615808 0.795223 O\n0.080473 0.108157 0.037302 O\n0.919527 0.891843 0.962698 O\n0.419527 0.891843 0.537302 O\n0.919527 0.608157 0.962698 O\n0.580473 0.108157 0.462698 O\n0.080473 0.391843 0.037302 O\n0.580473 0.391843 0.462698 O\n0.419527 0.608157 0.537302 O\n0.065544 0.250000 0.513195 O\n0.934456 0.750000 0.486805 O\n0.434456 0.750000 0.013195 O\n0.565544 0.250000 0.986805 O\n0.073772 0.628663 0.283452 O\n0.926228 0.371337 0.716548 O\n0.426228 0.371337 0.783452 O\n0.926228 0.128663 0.716548 O\n0.573772 0.628663 0.216548 O\n0.073772 0.871337 0.283452 O\n0.573772 0.871337 0.216548 O\n0.426228 0.128663 0.783452 O\n0.349124 0.250000 0.158815 O\n0.650876 0.750000 0.841185 O\n0.150876 0.750000 0.658815 O\n0.849124 0.250000 0.341185 O\n0.077940 0.008822 0.425142 O\n0.922060 0.991178 0.574858 O\n0.422060 0.991178 0.925142 O\n0.922060 0.508822 0.574858 O\n0.577940 0.008822 0.074858 O\n0.077940 0.491178 0.425142 O\n0.577940 0.491178 0.074858 O\n0.422060 0.508822 0.925142 O\n0.067506 0.621839 0.127236 O\n0.932494 0.378161 0.872764 O\n0.432494 0.378161 0.627236 O\n0.932494 0.121839 0.872764 O\n0.567506 0.621839 0.372764 O\n0.067506 0.878161 0.127236 O\n0.567506 0.878161 0.372764 O\n0.432494 0.121839 0.627236 O\n",
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"elements": [
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],
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"density": 4.851561309805237,
"density_atomic": 0.0775798122247869,
"volume": 979.6362973886892,
"volume_molar": 7.762510100631456,
"formula_full": "Co16 Mo12 O48",
"formula_reduced": "Co4(MoO4)3",
"formula_anonymous": "A3B4C12",
"energy": -583.61166172,
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{
"id": "mp-1226415",
"created_at": "2022-09-04T14:46:23.530302Z",
"structure_string": "Co4 Mo4 O19\n1.0\n6.872225 0.000000 0.000000\n1.801199 6.706569 0.000000\n1.422962 1.817950 9.140708\nCo Mo O\n4 4 19\ndirect\n0.832940 0.350477 0.307024 Co\n0.165617 0.648253 0.693072 Co\n0.803924 0.167827 0.031841 Co\n0.199839 0.828521 0.967005 Co\n0.757749 0.701930 0.945683 Mo\n0.242762 0.297510 0.054428 Mo\n0.989053 0.805928 0.320164 Mo\n0.011329 0.193880 0.678851 Mo\n0.874590 0.682865 0.764208 O\n0.125015 0.316474 0.235674 O\n0.076705 0.776771 0.492278 O\n0.921446 0.223581 0.507566 O\n0.204702 0.749592 0.192636 O\n0.795778 0.250000 0.806630 O\n0.795049 0.453932 0.069366 O\n0.203790 0.545574 0.930743 O\n0.836851 0.628978 0.328044 O\n0.163259 0.370953 0.672058 O\n0.854797 0.077153 0.252773 O\n0.145922 0.923456 0.746822 O\n0.873348 0.865582 0.014748 O\n0.128329 0.132596 0.985333 O\n0.592618 0.383410 0.352804 O\n0.405758 0.615254 0.647069 O\n0.497519 0.810960 0.937524 O\n0.503549 0.192060 0.062257 O\n0.454762 0.020481 0.460398 O\n",
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{
"id": "mp-1247086",
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"structure_string": "Co8 Ir2 N8\n1.0\n4.702294 -0.489832 -0.236101\n1.325054 4.829721 0.091712\n0.696942 2.335372 7.547190\nCo Ir N\n8 2 8\ndirect\n0.766315 0.563637 0.213223 Co\n0.233685 0.436363 0.786777 Co\n0.779785 0.225732 0.932057 Co\n0.220215 0.774268 0.067943 Co\n0.745605 0.477098 0.559661 Co\n0.254395 0.522902 0.440339 Co\n0.217956 0.017178 0.635662 Co\n0.782044 0.982822 0.364338 Co\n0.736540 0.803445 0.759871 Ir\n0.263460 0.196555 0.240129 Ir\n0.012208 0.733827 0.572936 N\n0.987792 0.266173 0.427064 N\n0.831769 0.824163 0.003151 N\n0.168231 0.175837 0.996849 N\n0.347353 0.729791 0.857497 N\n0.652647 0.270209 0.142503 N\n0.510132 0.760718 0.328298 N\n0.489868 0.239282 0.671702 N\n",
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"volume": 175.32667159487013,
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{
"id": "mp-1226072",
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"structure_string": "Co4 H1\n1.0\n1.266642 -2.193888 0.000000\n1.266642 2.193888 0.000000\n0.000000 0.000000 8.153190\nCo H\n4 1\ndirect\n0.333333 0.666667 0.866042 Co\n0.333333 0.666667 0.377872 Co\n0.666667 0.333333 0.133958 Co\n0.666667 0.333333 0.622128 Co\n0.000000 0.000000 0.000000 H\n",
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{
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