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{
"id": "mp-1209873",
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{
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"created_at": "2022-09-04T14:45:53.887638Z",
"structure_string": "Li2 Cr8 P14 O48\n1.0\n10.174807 0.000000 0.000000\n-2.663292 9.910630 0.000000\n-3.948944 -4.555218 8.864975\nLi Cr P O\n2 8 14 48\ndirect\n0.594548 0.223692 0.629100 Li\n0.405452 0.776308 0.370900 Li\n0.500960 0.899539 0.747023 Cr\n0.002966 0.388449 0.075761 Cr\n0.511088 0.663467 0.885768 Cr\n0.984023 0.829263 0.411819 Cr\n0.015977 0.170737 0.588181 Cr\n0.488912 0.336533 0.114232 Cr\n0.997034 0.611551 0.924239 Cr\n0.499040 0.100461 0.252977 Cr\n0.770970 0.779173 0.774009 P\n0.191891 0.627266 0.433397 P\n0.196327 0.937529 0.258628 P\n0.262865 0.036934 0.758439 P\n0.252205 0.392453 0.522848 P\n0.734665 0.179993 0.118597 P\n0.748048 0.541464 0.052695 P\n0.251952 0.458536 0.947305 P\n0.265335 0.820007 0.881403 P\n0.747795 0.607547 0.477152 P\n0.737135 0.963066 0.241561 P\n0.803673 0.062471 0.741372 P\n0.808109 0.372734 0.566603 P\n0.229030 0.220827 0.225991 P\n0.867394 0.210961 0.876752 O\n0.622528 0.987729 0.659274 O\n0.641975 0.065277 0.954663 O\n0.115457 0.259475 0.128264 O\n0.368641 0.733695 0.532177 O\n0.166571 0.569358 0.272285 O\n0.653788 0.569132 0.922056 O\n0.633604 0.781983 0.802373 O\n0.375039 0.008761 0.700675 O\n0.156510 0.483682 0.469689 O\n0.311287 0.339765 0.401345 O\n0.140001 0.056632 0.204514 O\n0.144205 0.928875 0.371248 O\n0.395860 0.495148 0.672324 O\n0.874189 0.502029 0.011540 O\n0.086543 0.697178 0.463099 O\n0.871650 0.319958 0.161167 O\n0.338511 0.175029 0.906103 O\n0.185073 0.893957 0.781094 O\n0.145711 0.247406 0.504127 O\n0.119549 0.026207 0.627009 O\n0.376214 0.779460 0.819334 O\n0.364748 0.595330 0.952803 O\n0.835448 0.677824 0.207611 O\n0.164552 0.322176 0.792389 O\n0.635252 0.404670 0.047197 O\n0.623786 0.220540 0.180666 O\n0.880451 0.973793 0.372991 O\n0.854289 0.752594 0.495873 O\n0.814927 0.106043 0.218906 O\n0.661489 0.824971 0.093897 O\n0.128350 0.680042 0.838833 O\n0.913457 0.302822 0.536901 O\n0.125811 0.497971 0.988460 O\n0.604140 0.504852 0.327676 O\n0.855795 0.071125 0.628752 O\n0.859999 0.943368 0.795486 O\n0.688713 0.660235 0.598655 O\n0.843490 0.516318 0.530311 O\n0.624961 0.991239 0.299325 O\n0.366396 0.218017 0.197627 O\n0.346212 0.430868 0.077944 O\n0.833429 0.430642 0.727715 O\n0.631359 0.266305 0.467823 O\n0.884543 0.740525 0.871736 O\n0.358025 0.934723 0.045337 O\n0.377472 0.012271 0.340726 O\n0.132606 0.789039 0.123248 O\n",
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"formula_full": "Li2 Cr8 P14 O48",
"formula_reduced": "LiCr4P7O24",
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"spacegroup": 2
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{
"id": "mp-8377",
"created_at": "2022-09-04T14:45:53.800990Z",
"structure_string": "Te4 O8\n1.0\n4.471247 0.000000 0.000000\n0.000000 5.108853 0.000000\n0.000000 0.000000 8.798003\nTe O\n4 8\ndirect\n0.382080 0.041330 0.603283 Te\n0.882080 0.458670 0.396717 Te\n0.617920 0.541330 0.896717 Te\n0.117920 0.958670 0.103283 Te\n0.780550 0.141443 0.539887 O\n0.280550 0.358557 0.460113 O\n0.219450 0.641443 0.960113 O\n0.719450 0.858557 0.039887 O\n0.161921 0.759022 0.281621 O\n0.661921 0.740978 0.718379 O\n0.838079 0.259022 0.218379 O\n0.338079 0.240978 0.781621 O\n",
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"density": 5.274757961042293,
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"volume_molar": 10.0856949976721,
"formula_full": "Te4 O8",
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"formula_anonymous": "AB2",
"energy": -69.95739112999999,
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"updated_at": "2021-11-28T01:37:13.250000Z",
"spacegroup": 19
},
{
"id": "mp-754962",
"created_at": "2022-09-04T14:45:53.941553Z",
"structure_string": "Mn2 Fe1 O6\n1.0\n1.475034 6.352343 0.000000\n-1.475034 6.352343 0.000000\n0.000000 1.123538 5.664819\nMn Fe O\n2 1 6\ndirect\n0.167898 0.167898 0.665222 Mn\n0.832102 0.832102 0.334778 Mn\n0.500000 0.500000 0.000000 Fe\n0.659844 0.659844 0.886490 O\n0.322675 0.322675 0.558707 O\n0.340156 0.340156 0.113510 O\n0.987571 0.987571 0.231390 O\n0.012429 0.012429 0.768610 O\n0.677325 0.677325 0.441293 O\n",
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"volume": 106.15782326809097,
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"formula_full": "Mn2 Fe1 O6",
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"spacegroup": 12
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{
"id": "mp-1210700",
"created_at": "2022-09-04T14:45:53.954414Z",
"structure_string": "Mn2 Sb4 Se8\n1.0\n2.007598 6.654619 0.000000\n-2.007598 6.654619 0.000000\n0.000000 6.508063 14.235104\nMn Sb Se\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.645374 0.645374 0.629642 Sb\n0.354626 0.354626 0.370358 Sb\n0.230723 0.230723 0.123887 Sb\n0.769277 0.769277 0.876113 Sb\n0.010502 0.010502 0.329164 Se\n0.989498 0.989498 0.670836 Se\n0.656684 0.656684 0.457745 Se\n0.343316 0.343316 0.542255 Se\n0.605406 0.605406 0.049310 Se\n0.394594 0.394594 0.950690 Se\n0.837056 0.837056 0.173874 Se\n0.162944 0.162944 0.826126 Se\n",
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"formula_full": "Mn2 Sb4 Se8",
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{
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"structure_string": "Tm2 Ag2 Sn2\n1.0\n2.357528 -4.083359 0.000000\n2.357528 4.083359 0.000000\n0.000000 0.000000 7.335256\nTm Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.492748 Tm\n0.000000 0.000000 0.992748 Tm\n0.333333 0.666667 0.809656 Ag\n0.666667 0.333333 0.309656 Ag\n0.666667 0.333333 0.714136 Sn\n0.333333 0.666667 0.214136 Sn\n",
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{
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"structure_string": "Li4 Fe4 Si8 O24\n1.0\n5.335689 -5.647475 0.000000\n5.335689 5.647475 0.000000\n0.000000 0.000000 9.976117\nLi Fe Si O\n4 4 8 24\ndirect\n0.899715 0.100285 0.250000 Li\n0.399019 0.399019 0.000000 Li\n0.600981 0.600981 0.500000 Li\n0.100285 0.899715 0.750000 Li\n0.662034 0.153536 0.544421 Fe\n0.846464 0.337966 0.955579 Fe\n0.153536 0.662034 0.455579 Fe\n0.337966 0.846464 0.044421 Fe\n0.071160 0.071160 0.500000 Si\n0.367389 0.144139 0.297114 Si\n0.144139 0.367389 0.702886 Si\n0.546942 0.453058 0.750000 Si\n0.453058 0.546942 0.250000 Si\n0.855861 0.632611 0.202886 Si\n0.632611 0.855861 0.797114 Si\n0.928840 0.928840 0.000000 Si\n0.629826 0.996137 0.679518 O\n0.873204 0.106192 0.456119 O\n0.500725 0.104671 0.414027 O\n0.169042 0.137605 0.360289 O\n0.137605 0.169042 0.639711 O\n0.893808 0.126796 0.043881 O\n0.411907 0.336589 0.228025 O\n0.620080 0.380803 0.608538 O\n0.619197 0.379920 0.891462 O\n0.003863 0.370174 0.820482 O\n0.336589 0.411907 0.771975 O\n0.104671 0.500725 0.585973 O\n0.895329 0.499275 0.085973 O\n0.663411 0.588093 0.271975 O\n0.996137 0.629826 0.320482 O\n0.380803 0.620080 0.391462 O\n0.379920 0.619197 0.108538 O\n0.588093 0.663411 0.728025 O\n0.106192 0.873204 0.543881 O\n0.862395 0.830958 0.139711 O\n0.830958 0.862395 0.860289 O\n0.499275 0.895329 0.914027 O\n0.126796 0.893808 0.956119 O\n0.370174 0.003863 0.179518 O\n",
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{
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{
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"structure_string": "Cr1 W1 N2\n1.0\n5.392980 -1.428457 0.000000\n5.392980 1.428457 0.000000\n5.014620 0.000000 2.445058\nCr W N\n1 1 2\ndirect\n0.832094 0.832094 0.832094 Cr\n0.998388 0.998388 0.998388 W\n0.416951 0.416951 0.416951 N\n0.247368 0.247368 0.247368 N\n",
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{
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},
{
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"structure_string": "Cs2 U2 Cu2 S6\n1.0\n2.000045 -7.751179 0.000000\n2.000045 7.751179 0.000000\n0.000000 0.000000 10.328763\nCs U Cu S\n2 2 2 6\ndirect\n0.740525 0.259475 0.250000 Cs\n0.259475 0.740525 0.750000 Cs\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.533786 0.466214 0.750000 Cu\n0.466214 0.533786 0.250000 Cu\n0.611858 0.388142 0.559153 S\n0.388142 0.611858 0.440847 S\n0.388142 0.611858 0.059153 S\n0.948188 0.051812 0.750000 S\n0.051812 0.948188 0.250000 S\n0.611858 0.388142 0.940847 S\n",
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"formula_full": "Cs2 U2 Cu2 S6",
"formula_reduced": "CsUCuS3",
"formula_anonymous": "ABCD3",
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"updated_at": "2021-11-28T01:37:13.165000Z",
"spacegroup": 63
},
{
"id": "mp-22684",
"created_at": "2022-09-04T14:45:53.812322Z",
"structure_string": "Fe4 Ni2 O8\n1.0\n0.000000 4.240011 4.240011\n4.240011 0.000000 4.240011\n4.240011 4.240011 0.000000\nFe Ni O\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.125000 0.125000 Fe\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Ni\n0.902272 0.365909 0.365909 O\n0.365909 0.902272 0.365909 O\n0.365909 0.365909 0.902272 O\n0.365909 0.365909 0.365909 O\n0.347728 0.884091 0.884091 O\n0.884091 0.347728 0.884091 O\n0.884091 0.884091 0.347728 O\n0.884091 0.884091 0.884091 O\n",
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}
]
}