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{
"id": "mp-1203689",
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"structure_string": "Rb4 Al4 V4 P8 O40\n1.0\n7.917120 0.000000 0.000000\n0.000000 8.294048 0.000000\n-4.298427 0.000000 13.700131\nRb Al V P O\n4 4 4 8 40\ndirect\n0.315545 0.471056 0.198600 Rb\n0.315545 0.028944 0.698600 Rb\n0.684455 0.528944 0.801400 Rb\n0.684455 0.971056 0.301400 Rb\n0.714912 0.537455 0.465015 Al\n0.714912 0.962545 0.965015 Al\n0.285088 0.462545 0.534985 Al\n0.285088 0.037455 0.034985 Al\n0.799972 0.451304 0.136115 V\n0.799972 0.048696 0.636115 V\n0.200028 0.548696 0.863885 V\n0.200028 0.951304 0.363885 V\n0.493102 0.273304 0.958691 P\n0.493102 0.226696 0.458691 P\n0.506898 0.726696 0.041309 P\n0.506898 0.773304 0.541309 P\n0.995991 0.603940 0.351496 P\n0.995991 0.896060 0.851496 P\n0.004009 0.396060 0.648504 P\n0.004009 0.103940 0.148504 P\n0.704665 0.331389 0.198675 O\n0.704665 0.168611 0.698675 O\n0.295335 0.668611 0.801325 O\n0.295335 0.831389 0.301325 O\n0.653649 0.383286 0.006419 O\n0.653649 0.116714 0.506419 O\n0.346351 0.616714 0.993581 O\n0.346351 0.883286 0.493581 O\n0.556994 0.116873 0.919413 O\n0.556994 0.383127 0.419413 O\n0.443006 0.883127 0.080587 O\n0.443006 0.616873 0.580587 O\n0.370207 0.362641 0.870025 O\n0.370207 0.137359 0.370025 O\n0.629793 0.637359 0.129975 O\n0.629793 0.862641 0.629975 O\n0.396932 0.221395 0.033514 O\n0.396932 0.278605 0.533514 O\n0.603068 0.778605 0.966486 O\n0.603068 0.721395 0.466486 O\n0.929190 0.574639 0.063898 O\n0.929190 0.925361 0.563898 O\n0.070810 0.425361 0.936102 O\n0.070810 0.074639 0.436102 O\n0.972308 0.556370 0.244426 O\n0.972308 0.943630 0.744426 O\n0.027692 0.443630 0.755574 O\n0.027692 0.056370 0.255574 O\n0.158999 0.513053 0.416276 O\n0.158999 0.986947 0.916276 O\n0.841001 0.486947 0.583724 O\n0.841001 0.013053 0.083724 O\n0.017513 0.787130 0.363961 O\n0.017513 0.712870 0.863961 O\n0.982487 0.212870 0.636039 O\n0.982487 0.287130 0.136039 O\n0.830315 0.555057 0.379963 O\n0.830315 0.944943 0.879963 O\n0.169685 0.444943 0.620037 O\n0.169685 0.055057 0.120037 O\n",
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"updated_at": "2021-11-28T01:36:50.884000Z",
"spacegroup": 14
},
{
"id": "mp-1246954",
"created_at": "2022-09-04T14:44:56.978082Z",
"structure_string": "Ti2 Zn8 N8\n1.0\n5.488298 -0.066589 -0.284174\n1.981562 5.215565 0.103117\n1.081558 2.575373 7.814533\nTi Zn N\n2 8 8\ndirect\n0.705004 0.850067 0.776350 Ti\n0.294996 0.149933 0.223650 Ti\n0.704325 0.610266 0.194510 Zn\n0.295675 0.389734 0.805490 Zn\n0.788968 0.178087 0.033373 Zn\n0.211032 0.821913 0.966627 Zn\n0.749746 0.499945 0.556685 Zn\n0.250254 0.500055 0.443315 Zn\n0.246034 0.910771 0.569071 Zn\n0.753966 0.089229 0.430929 Zn\n0.950795 0.707553 0.612610 N\n0.049205 0.292447 0.387390 N\n0.840860 0.828376 0.991340 N\n0.159140 0.171624 0.008660 N\n0.437653 0.690989 0.799093 N\n0.562347 0.309011 0.200907 N\n0.446568 0.769744 0.362878 N\n0.553432 0.230256 0.637122 N\n",
"nsites": 18,
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"elements": [
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"density": 5.433825915669449,
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"volume": 223.40668336692744,
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"formula_full": "Ti2 Zn8 N8",
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},
{
"id": "mp-1203342",
"created_at": "2022-09-04T14:44:57.358246Z",
"structure_string": "Dy4 Ga6 Fe28\n1.0\n0.000000 0.000000 -8.272044\n-4.276306 -7.418908 0.000000\n-4.276306 7.418908 0.000000\nDy Ga Fe\n4 6 28\ndirect\n0.750000 0.000021 0.999979 Dy\n0.250000 0.999979 0.000021 Dy\n0.250000 0.666815 0.333185 Dy\n0.750000 0.333185 0.666815 Dy\n0.500000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.611652 0.666751 0.333249 Fe\n0.388348 0.333249 0.666751 Fe\n0.111652 0.333249 0.666751 Fe\n0.888348 0.666751 0.333249 Fe\n0.750000 0.676695 0.029369 Fe\n0.750000 0.352598 0.323323 Fe\n0.750000 0.970674 0.647417 Fe\n0.750000 0.352583 0.029326 Fe\n0.750000 0.970631 0.323305 Fe\n0.750000 0.676677 0.647402 Fe\n0.250000 0.323305 0.970631 Fe\n0.250000 0.647402 0.676677 Fe\n0.250000 0.029326 0.352583 Fe\n0.250000 0.647417 0.970674 Fe\n0.250000 0.029369 0.676695 Fe\n0.250000 0.323323 0.352598 Fe\n0.491279 0.834500 0.668780 Fe\n0.491162 0.834526 0.165474 Fe\n0.491279 0.331220 0.165500 Fe\n0.508721 0.165500 0.331220 Fe\n0.508838 0.165474 0.834526 Fe\n0.508721 0.668780 0.834500 Fe\n0.991279 0.165500 0.331220 Fe\n0.991162 0.165474 0.834526 Fe\n0.991279 0.668780 0.834500 Fe\n0.008721 0.834500 0.668780 Fe\n0.008838 0.834526 0.165474 Fe\n0.008721 0.331220 0.165500 Fe\n",
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"elements": [
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],
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"density": 8.326894473200614,
"density_atomic": 0.07239890622588463,
"volume": 524.8698078592511,
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"formula_full": "Dy4 Ga6 Fe28",
"formula_reduced": "Dy2Ga3Fe14",
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"spacegroup": 194
},
{
"id": "mp-1086674",
"created_at": "2022-09-04T14:44:59.147227Z",
"structure_string": "Yb2 Co2 Ge4\n1.0\n2.103351 -8.387288 0.000000\n2.103351 8.387288 0.000000\n0.000000 0.000000 4.115687\nYb Co Ge\n2 2 4\ndirect\n0.891632 0.108368 0.750000 Yb\n0.108368 0.891632 0.250000 Yb\n0.680608 0.319392 0.750000 Co\n0.319392 0.680608 0.250000 Co\n0.544640 0.455360 0.750000 Ge\n0.455360 0.544640 0.250000 Ge\n0.249204 0.750796 0.750000 Ge\n0.750796 0.249204 0.250000 Ge\n",
"nsites": 8,
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],
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"density_atomic": 0.05509146787907828,
"volume": 145.2130485533515,
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"formula_full": "Yb2 Co2 Ge4",
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"energy": -40.0004595,
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{
"id": "mp-1182036",
"created_at": "2022-09-04T14:44:56.931779Z",
"structure_string": "Cd20 Si8 O40\n1.0\n5.012668 0.000000 0.000000\n0.000000 11.412021 0.000000\n0.000000 5.839372 16.575119\nCd Si O\n20 8 40\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.490707 0.269504 0.900348 Cd\n0.990707 0.230496 0.099652 Cd\n0.509293 0.730496 0.099652 Cd\n0.009293 0.769504 0.900348 Cd\n0.515130 0.235703 0.600159 Cd\n0.015130 0.264297 0.399841 Cd\n0.484870 0.764297 0.399841 Cd\n0.984870 0.735703 0.600159 Cd\n0.985804 0.407566 0.711978 Cd\n0.485804 0.092434 0.288022 Cd\n0.014196 0.592434 0.288022 Cd\n0.514196 0.907566 0.711978 Cd\n0.022467 0.102711 0.787555 Cd\n0.522467 0.397289 0.212445 Cd\n0.977533 0.897289 0.212445 Cd\n0.477533 0.602711 0.787555 Cd\n0.924485 0.459507 0.898007 Si\n0.424485 0.040493 0.101993 Si\n0.075515 0.540493 0.101993 Si\n0.575515 0.959507 0.898007 Si\n0.075271 0.047310 0.599935 Si\n0.575271 0.452690 0.400065 Si\n0.924729 0.952690 0.400065 Si\n0.424729 0.547310 0.599935 Si\n0.783044 0.438434 0.818285 O\n0.283044 0.061566 0.181715 O\n0.216956 0.561566 0.181715 O\n0.716956 0.938434 0.818285 O\n0.215437 0.072754 0.678608 O\n0.715437 0.427246 0.321392 O\n0.784563 0.927246 0.321392 O\n0.284563 0.572754 0.678608 O\n0.703330 0.091874 0.902154 O\n0.203330 0.408126 0.097846 O\n0.296670 0.908126 0.097846 O\n0.796670 0.591874 0.902154 O\n0.299112 0.413274 0.598039 O\n0.799112 0.086726 0.401961 O\n0.700888 0.586726 0.401961 O\n0.200888 0.913274 0.598039 O\n0.797497 0.348370 0.976958 O\n0.297497 0.151630 0.023042 O\n0.202503 0.651630 0.023042 O\n0.702503 0.848370 0.976958 O\n0.208269 0.154854 0.520684 O\n0.708269 0.345146 0.479316 O\n0.791731 0.845146 0.479316 O\n0.291731 0.654854 0.520684 O\n0.747676 0.047548 0.602680 O\n0.247676 0.452452 0.397320 O\n0.252324 0.952452 0.397320 O\n0.752324 0.547548 0.602680 O\n0.252129 0.458947 0.894807 O\n0.752129 0.041053 0.105193 O\n0.747871 0.541053 0.105193 O\n0.247871 0.958947 0.894807 O\n0.269105 0.263354 0.791195 O\n0.769105 0.236646 0.208805 O\n0.730895 0.736646 0.208805 O\n0.230895 0.763354 0.791195 O\n0.740436 0.246633 0.708307 O\n0.240436 0.253367 0.291693 O\n0.259564 0.753367 0.291693 O\n0.759564 0.746633 0.708307 O\n",
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{
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{
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"structure_string": "Zr6 Ga2 Co1\n1.0\n3.939285 -6.823042 0.000000\n3.939285 6.823042 0.000000\n0.000000 0.000000 3.354316\nZr Ga Co\n6 2 1\ndirect\n0.249698 0.000000 0.000000 Zr\n0.750302 0.750302 0.000000 Zr\n0.000000 0.249698 0.000000 Zr\n0.000000 0.594971 0.500000 Zr\n0.405029 0.405029 0.500000 Zr\n0.594971 0.000000 0.500000 Zr\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
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{
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