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{
"id": "mp-559737",
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{
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"structure_string": "Cs1 Mg6 Ti1\n1.0\n8.003437 0.000000 0.000000\n0.000000 8.003437 0.000000\n0.000000 0.000000 3.428058\nCs Mg Ti\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.792188 0.207812 0.000000 Mg\n0.207812 0.792188 0.000000 Mg\n0.792188 0.792188 0.000000 Mg\n0.207812 0.207812 0.000000 Mg\n0.000000 0.000000 0.500000 Ti\n",
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"volume": 219.5842682610789,
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"formula_full": "Cs1 Mg6 Ti1",
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"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:37:00.938000Z",
"spacegroup": 123
},
{
"id": "mp-1245400",
"created_at": "2022-09-04T14:45:15.807082Z",
"structure_string": "Mn4 C6 N12\n1.0\n9.837879 -0.323086 -0.227788\n1.588664 5.047081 0.000000\n-26.348277 8.293616 5.210790\nMn C N\n4 6 12\ndirect\n0.995224 0.001919 0.164280 Mn\n0.995224 0.002857 0.664280 Mn\n0.004732 0.998104 0.835734 Mn\n0.004732 0.997164 0.335734 Mn\n0.960867 0.688590 0.069147 C\n0.000116 0.677000 0.750054 C\n0.039037 0.649445 0.430841 C\n0.960867 0.350543 0.569147 C\n0.039037 0.311518 0.930841 C\n0.000116 0.322884 0.250054 C\n0.875947 0.759010 0.084173 N\n0.140223 0.614130 0.839923 N\n0.989432 0.637058 0.457658 N\n0.875947 0.365044 0.584173 N\n0.989432 0.373509 0.957658 N\n0.140223 0.245647 0.339923 N\n0.124329 0.240958 0.915934 N\n0.859915 0.385670 0.160129 N\n0.010180 0.363168 0.542228 N\n0.124329 0.634713 0.415934 N\n0.010180 0.626651 0.042228 N\n0.859915 0.754416 0.660129 N\n",
"nsites": 22,
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"formula_full": "Mn4 C6 N12",
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"spacegroup": 15
},
{
"id": "mp-1214045",
"created_at": "2022-09-04T14:45:15.834717Z",
"structure_string": "Ca6 Ge4 Au18\n1.0\n4.561031 0.000000 0.000000\n0.000000 9.652460 0.000000\n0.000000 0.000000 13.436281\nCa Ge Au\n6 4 18\ndirect\n0.000000 0.996425 0.188512 Ca\n0.000000 0.003575 0.811488 Ca\n0.500000 0.503575 0.688512 Ca\n0.500000 0.496425 0.311488 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.347357 0.181930 Ge\n0.000000 0.652643 0.818070 Ge\n0.500000 0.152643 0.681930 Ge\n0.500000 0.847357 0.318070 Ge\n0.000000 0.201143 0.004000 Au\n0.000000 0.798857 0.996000 Au\n0.500000 0.298857 0.504000 Au\n0.500000 0.701143 0.496000 Au\n0.000000 0.278220 0.367168 Au\n0.000000 0.721780 0.632832 Au\n0.500000 0.221780 0.867168 Au\n0.500000 0.778220 0.132832 Au\n0.000000 0.261244 0.634431 Au\n0.000000 0.738756 0.365569 Au\n0.500000 0.238756 0.134431 Au\n0.500000 0.761244 0.865569 Au\n0.000000 0.606805 0.160354 Au\n0.000000 0.393195 0.839646 Au\n0.500000 0.893195 0.660354 Au\n0.500000 0.106805 0.339646 Au\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n",
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"elements": [
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],
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"volume": 591.5345456027587,
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"formula_full": "Ca6 Ge4 Au18",
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"updated_at": "2021-11-28T01:36:56.066000Z",
"spacegroup": 58
},
{
"id": "mp-1217248",
"created_at": "2022-09-04T14:45:15.882187Z",
"structure_string": "Ti4 Al6 Ni2\n1.0\n-2.561421 -4.435860 0.000000\n-5.122842 0.000000 0.000000\n0.000000 0.000000 -7.844366\nTi Al Ni\n4 6 2\ndirect\n0.333313 0.333344 0.566451 Ti\n0.666687 0.666656 0.433549 Ti\n0.666687 0.666656 0.066451 Ti\n0.333313 0.333344 0.933549 Ti\n0.831857 0.336310 0.750000 Al\n0.336290 0.831855 0.750000 Al\n0.831857 0.831832 0.750000 Al\n0.168143 0.663690 0.250000 Al\n0.663710 0.168145 0.250000 Al\n0.168143 0.168167 0.250000 Al\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.385178527473652,
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"formula_full": "Ti4 Al6 Ni2",
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"spacegroup": 194
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{
"id": "mp-556156",
"created_at": "2022-09-04T14:45:15.883304Z",
"structure_string": "Li4 U4 B4 O20\n1.0\n10.692183 0.000000 0.000000\n0.000000 5.900779 0.000000\n0.000000 1.772343 6.641459\nLi U B O\n4 4 4 20\ndirect\n0.270969 0.448315 0.124052 Li\n0.770969 0.551685 0.375948 Li\n0.229031 0.448315 0.624052 Li\n0.729031 0.551685 0.875948 Li\n0.934233 0.099413 0.728884 U\n0.065767 0.900587 0.271116 U\n0.565767 0.099413 0.228884 U\n0.434233 0.900587 0.771116 U\n0.352426 0.784302 0.298464 B\n0.647574 0.215698 0.701536 B\n0.852426 0.215698 0.201536 B\n0.147574 0.784302 0.798464 B\n0.910474 0.138557 0.387390 O\n0.175547 0.149389 0.213374 O\n0.256418 0.654776 0.827719 O\n0.085252 0.850209 0.951733 O\n0.410474 0.861443 0.112610 O\n0.743582 0.345224 0.172281 O\n0.949906 0.663344 0.320564 O\n0.414748 0.850209 0.451733 O\n0.914748 0.149791 0.048267 O\n0.089526 0.861443 0.612610 O\n0.589526 0.138557 0.887390 O\n0.324453 0.149389 0.713374 O\n0.585252 0.149791 0.548267 O\n0.756418 0.345224 0.672281 O\n0.243582 0.654776 0.327719 O\n0.675547 0.850611 0.286626 O\n0.449906 0.336656 0.179436 O\n0.550094 0.663344 0.820564 O\n0.050094 0.336656 0.679436 O\n0.824453 0.850611 0.786626 O\n",
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"formula_full": "Li4 U4 B4 O20",
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"spacegroup": 14
},
{
"id": "mp-1213613",
"created_at": "2022-09-04T14:45:15.919806Z",
"structure_string": "Cu12 H24 C12 N24 Cl12\n1.0\n0.000000 -3.954417 0.000000\n-17.859052 0.000000 0.000000\n0.000000 0.000000 -16.065803\nCu H C N Cl\n12 24 12 24 12\ndirect\n0.646012 0.702249 0.819467 Cu\n0.353988 0.297751 0.319467 Cu\n0.853988 0.202249 0.819467 Cu\n0.146012 0.797751 0.319467 Cu\n0.820657 0.995680 0.313159 Cu\n0.179343 0.004320 0.813159 Cu\n0.679343 0.495680 0.313159 Cu\n0.320657 0.504320 0.813159 Cu\n0.583836 0.886640 0.118349 Cu\n0.416164 0.113360 0.618349 Cu\n0.916164 0.386640 0.118349 Cu\n0.083836 0.613360 0.618349 Cu\n0.403912 0.391408 0.729016 H\n0.596088 0.608592 0.229016 H\n0.096088 0.891408 0.729016 H\n0.903912 0.108592 0.229016 H\n0.967736 0.962596 0.461685 H\n0.032264 0.037404 0.961685 H\n0.532264 0.462596 0.461685 H\n0.467736 0.537404 0.961685 H\n0.349726 0.499151 0.555141 H\n0.650274 0.500849 0.055141 H\n0.150274 0.999151 0.555141 H\n0.849726 0.000849 0.055141 H\n0.935917 0.797647 0.729967 H\n0.064083 0.202353 0.229967 H\n0.564083 0.297647 0.729967 H\n0.435917 0.702353 0.229967 H\n0.946711 0.793333 0.466710 H\n0.053289 0.206667 0.966710 H\n0.553289 0.293333 0.466710 H\n0.446711 0.706667 0.966710 H\n0.926935 0.736004 0.558281 H\n0.073065 0.263996 0.058281 H\n0.573065 0.236004 0.558281 H\n0.426935 0.763996 0.058281 H\n0.654056 0.810041 0.957757 C\n0.345944 0.189959 0.457757 C\n0.845944 0.310041 0.957757 C\n0.154056 0.689959 0.457757 C\n0.891149 0.856613 0.837711 C\n0.108851 0.143387 0.337711 C\n0.608851 0.356613 0.837711 C\n0.391149 0.643387 0.337711 C\n0.858644 0.930632 0.955576 C\n0.141356 0.069368 0.455576 C\n0.641356 0.430632 0.955576 C\n0.358644 0.569368 0.455576 C\n0.740645 0.798178 0.877036 N\n0.259355 0.201822 0.377036 N\n0.759355 0.298178 0.877036 N\n0.240645 0.701822 0.377036 N\n0.985350 0.847535 0.758942 N\n0.014650 0.152465 0.258942 N\n0.514650 0.347535 0.758942 N\n0.485350 0.652465 0.258942 N\n0.707413 0.875036 0.999492 N\n0.292587 0.124964 0.499492 N\n0.792587 0.375036 0.999492 N\n0.207413 0.624964 0.499492 N\n0.508669 0.754085 0.998949 N\n0.491331 0.245915 0.498949 N\n0.991331 0.254085 0.998949 N\n0.008669 0.745915 0.498949 N\n0.954381 0.923955 0.874453 N\n0.045619 0.076045 0.374453 N\n0.545619 0.423955 0.874453 N\n0.454381 0.576045 0.374453 N\n0.918712 0.995234 0.994053 N\n0.081288 0.004766 0.494053 N\n0.581288 0.495234 0.994053 N\n0.418712 0.504766 0.494053 N\n0.645201 0.686526 0.677450 Cl\n0.354799 0.313474 0.177450 Cl\n0.854799 0.186526 0.677450 Cl\n0.145201 0.813474 0.177450 Cl\n0.440209 0.002891 0.689156 Cl\n0.559791 0.997109 0.189156 Cl\n0.059791 0.502891 0.689156 Cl\n0.940209 0.497109 0.189156 Cl\n0.715489 0.877111 0.368320 Cl\n0.284511 0.122889 0.868320 Cl\n0.784511 0.377111 0.368320 Cl\n0.215489 0.622889 0.868320 Cl\n",
"nsites": 84,
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"formula_full": "Cu12 H24 C12 N24 Cl12",
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{
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"structure_string": "La1 Pb3\n1.0\n4.968277 0.000000 0.000000\n0.000000 4.968277 0.000000\n0.000000 0.000000 4.968277\nLa Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
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{
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