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{
"id": "mp-758389",
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"structure_string": "Li1 Nb1 Te3 O12\n1.0\n8.534255 0.000000 0.000000\n0.000000 5.004240 0.000000\n0.000000 0.094293 5.290813\nLi Nb Te O\n1 1 3 12\ndirect\n0.801430 0.500000 0.500000 Li\n0.898180 0.000000 0.000000 Nb\n0.577438 0.500000 0.000000 Te\n0.395021 0.500000 0.500000 Te\n0.086977 0.000000 0.500000 Te\n0.740230 0.267425 0.877692 O\n0.415948 0.290344 0.816531 O\n0.067198 0.198316 0.804364 O\n0.568279 0.702107 0.676907 O\n0.924497 0.785333 0.676532 O\n0.247183 0.750998 0.638107 O\n0.247183 0.249002 0.361893 O\n0.924497 0.214667 0.323468 O\n0.568279 0.297893 0.323093 O\n0.067198 0.801684 0.195636 O\n0.415948 0.709656 0.183469 O\n0.740230 0.732575 0.122308 O\n",
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],
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"formula_full": "Li1 Nb1 Te3 O12",
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{
"id": "mp-1180600",
"created_at": "2022-09-04T14:39:19.007041Z",
"structure_string": "Li4 Mg4 Al12 H48\n1.0\n6.967593 0.000000 -4.861779\n0.000000 8.839742 0.000000\n0.007079 0.000000 14.552409\nLi Mg Al H\n4 4 12 48\ndirect\n0.128768 0.029046 0.881898 Li\n0.871232 0.529046 0.618102 Li\n0.871232 0.970954 0.118102 Li\n0.128768 0.470954 0.381898 Li\n0.632792 0.969988 0.384856 Mg\n0.367208 0.469988 0.115144 Mg\n0.367208 0.030012 0.615144 Mg\n0.632792 0.530012 0.884856 Mg\n0.761128 0.873329 0.650997 Al\n0.238872 0.373329 0.849003 Al\n0.238872 0.126671 0.349003 Al\n0.761128 0.626671 0.150997 Al\n0.474775 0.620997 0.359484 Al\n0.525225 0.120997 0.140516 Al\n0.525225 0.379003 0.640516 Al\n0.474775 0.879003 0.859484 Al\n0.960891 0.249765 0.998006 Al\n0.039109 0.749765 0.501994 Al\n0.039109 0.750235 0.001994 Al\n0.960891 0.250235 0.498006 Al\n0.605140 0.927691 0.676667 H\n0.394860 0.427691 0.823333 H\n0.394860 0.072309 0.323333 H\n0.605140 0.572309 0.176667 H\n0.650848 0.907520 0.516495 H\n0.349152 0.407520 0.983505 H\n0.349152 0.092480 0.483505 H\n0.650848 0.592480 0.016495 H\n0.786572 0.693681 0.670112 H\n0.213428 0.193681 0.829888 H\n0.213428 0.306319 0.329888 H\n0.786572 0.806319 0.170112 H\n0.949052 0.977179 0.719965 H\n0.050948 0.477179 0.780035 H\n0.050948 0.022821 0.280035 H\n0.949052 0.522821 0.219965 H\n0.487546 0.788545 0.314990 H\n0.512454 0.288545 0.185010 H\n0.512454 0.211455 0.685010 H\n0.487546 0.711455 0.814990 H\n0.690856 0.567630 0.454449 H\n0.309144 0.067630 0.045551 H\n0.309144 0.432370 0.545551 H\n0.690856 0.932370 0.954449 H\n0.384990 0.512585 0.248786 H\n0.615010 0.012585 0.251214 H\n0.615010 0.487415 0.751214 H\n0.384990 0.987415 0.748786 H\n0.329781 0.621624 0.396674 H\n0.670219 0.121624 0.103326 H\n0.670219 0.378376 0.603326 H\n0.329781 0.878376 0.896674 H\n0.954089 0.186021 0.892281 H\n0.045911 0.686021 0.607719 H\n0.045911 0.813979 0.107719 H\n0.954089 0.313979 0.392281 H\n0.762021 0.343332 0.954107 H\n0.237979 0.843332 0.545893 H\n0.237979 0.656668 0.045893 H\n0.762021 0.156668 0.454107 H\n0.129789 0.377577 0.064206 H\n0.870211 0.877577 0.435794 H\n0.870211 0.622423 0.935794 H\n0.129789 0.122423 0.564206 H\n0.993350 0.128275 0.089405 H\n0.006650 0.628275 0.410595 H\n0.006650 0.871725 0.910595 H\n0.993350 0.371725 0.589405 H\n",
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"elements": [
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"H"
],
"chemical_system": "Al-H-Li-Mg",
"density": 0.9207172761971283,
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"volume": 896.6121989399488,
"volume_molar": 7.940477748749257,
"formula_full": "Li4 Mg4 Al12 H48",
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"updated_at": "2021-11-28T01:34:25.544000Z",
"spacegroup": 14
},
{
"id": "mp-1218274",
"created_at": "2022-09-04T14:43:17.071042Z",
"structure_string": "Sr1 La3 Mn1 O12\n1.0\n8.909350 -2.684796 0.000000\n8.909350 2.684796 0.000000\n8.100298 0.000000 4.579282\nSr La Mn O\n1 3 1 12\ndirect\n0.628263 0.628263 0.628263 Sr\n0.123797 0.123797 0.123797 La\n0.377566 0.377566 0.377566 La\n0.872400 0.872400 0.872400 La\n0.253460 0.253460 0.253460 Mn\n0.130737 0.622433 0.120275 O\n0.640896 0.113393 0.611607 O\n0.120275 0.130737 0.622433 O\n0.611607 0.640896 0.113393 O\n0.622433 0.120275 0.130737 O\n0.113393 0.611607 0.640896 O\n0.393756 0.337612 0.887572 O\n0.887517 0.866183 0.382535 O\n0.887572 0.393756 0.337612 O\n0.382535 0.887517 0.866183 O\n0.337612 0.887572 0.393756 O\n0.866183 0.382535 0.887517 O\n",
"nsites": 17,
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"elements": [
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"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.694542785597967,
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"formula_full": "Sr1 La3 Mn1 O12",
"formula_reduced": "SrLa3MnO12",
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"updated_at": "2021-11-28T01:36:03.071000Z",
"spacegroup": 146
},
{
"id": "mp-1197471",
"created_at": "2022-09-04T14:40:06.749720Z",
"structure_string": "Li2 As2 Xe6 F24\n1.0\n13.817091 0.000000 0.000000\n0.000000 7.228710 0.000000\n0.000000 0.219655 7.225721\nLi As Xe F\n2 2 6 24\ndirect\n0.886788 0.727476 0.688008 Li\n0.386788 0.272524 0.311992 Li\n0.628219 0.788005 0.796911 As\n0.128219 0.211995 0.203089 As\n0.897304 0.226986 0.691404 Xe\n0.397304 0.773014 0.308596 Xe\n0.897825 0.731151 0.188272 Xe\n0.397825 0.268849 0.811728 Xe\n0.155716 0.711972 0.723404 Xe\n0.655716 0.288028 0.276596 Xe\n0.842825 0.479199 0.590261 F\n0.342825 0.520801 0.409739 F\n0.862922 0.853951 0.435732 F\n0.362922 0.146049 0.564268 F\n0.024457 0.654005 0.591495 F\n0.524457 0.345995 0.408505 F\n0.948161 0.970989 0.785739 F\n0.448161 0.029011 0.214261 F\n0.930083 0.608704 0.938822 F\n0.430083 0.391296 0.061178 F\n0.285591 0.764689 0.849403 F\n0.785591 0.235311 0.150597 F\n0.759461 0.804052 0.795671 F\n0.259461 0.195948 0.204329 F\n0.636981 0.543716 0.812319 F\n0.136981 0.456284 0.187681 F\n0.630241 0.781193 0.552719 F\n0.130241 0.218807 0.447281 F\n0.623668 0.032917 0.783983 F\n0.123668 0.967083 0.216017 F\n0.631861 0.793185 0.042203 F\n0.131861 0.206815 0.957797 F\n0.500396 0.777264 0.798335 F\n0.000396 0.222736 0.201665 F\n",
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"elements": [
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"As",
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],
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"volume": 721.7031628471966,
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"formula_full": "Li2 As2 Xe6 F24",
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"spacegroup": 4
},
{
"id": "mp-1044267",
"created_at": "2022-09-04T14:39:44.444969Z",
"structure_string": "Ti2 V2 P6 O24\n1.0\n7.616415 -4.295091 0.000000\n7.616415 4.295091 0.000000\n5.194304 0.000000 7.033974\nTi V P O\n2 2 6 24\ndirect\n0.138350 0.138350 0.138350 Ti\n0.638350 0.638350 0.638350 Ti\n0.361133 0.361133 0.361133 V\n0.861133 0.861133 0.861133 V\n0.033289 0.745367 0.471579 P\n0.471579 0.033289 0.745367 P\n0.745367 0.471579 0.033289 P\n0.245367 0.533289 0.971579 P\n0.533289 0.971579 0.245367 P\n0.971579 0.245367 0.533289 P\n0.144890 0.276687 0.504406 O\n0.276687 0.504406 0.144890 O\n0.066505 0.914314 0.288945 O\n0.504406 0.144890 0.276687 O\n0.004406 0.776687 0.644890 O\n0.217419 0.567834 0.444977 O\n0.288945 0.066505 0.914314 O\n0.444977 0.217419 0.567834 O\n0.206160 0.367287 0.002600 O\n0.567834 0.444977 0.217419 O\n0.067834 0.717419 0.944977 O\n0.367287 0.002600 0.206160 O\n0.644890 0.004406 0.776687 O\n0.914314 0.288945 0.066505 O\n0.414314 0.566505 0.788945 O\n0.776687 0.644890 0.004406 O\n0.566505 0.788945 0.414314 O\n0.717419 0.944977 0.067834 O\n0.788945 0.414314 0.566505 O\n0.002600 0.206160 0.367287 O\n0.502600 0.867287 0.706160 O\n0.944977 0.067834 0.717419 O\n0.706160 0.502600 0.867287 O\n0.867287 0.706160 0.502600 O\n",
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],
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},
{
"id": "mp-1004528",
"created_at": "2022-09-04T14:47:26.136819Z",
"structure_string": "Cs1 B3 Pb1 F12\n1.0\n5.063400 4.675419 0.000000\n-5.063400 4.675419 0.000000\n0.000000 0.146345 6.863776\nCs B Pb F\n1 3 1 12\ndirect\n0.521502 0.521502 0.409274 Cs\n0.991782 0.991782 0.487835 B\n0.493545 0.022758 0.020318 B\n0.022758 0.493545 0.020318 B\n0.951525 0.951525 0.934890 Pb\n0.162783 0.936436 0.578800 F\n0.936436 0.162783 0.578800 F\n0.841234 0.841234 0.519006 F\n0.027617 0.027617 0.285916 F\n0.617617 0.898302 0.124156 F\n0.476822 0.193152 0.122254 F\n0.307631 0.918035 0.001814 F\n0.580528 0.058731 0.834181 F\n0.193152 0.476822 0.122254 F\n0.898302 0.617617 0.124156 F\n0.918035 0.307631 0.001814 F\n0.058731 0.580528 0.834181 F\n",
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"elements": [
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],
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},
{
"id": "mp-1202725",
"created_at": "2022-09-04T14:39:32.743364Z",
"structure_string": "Na4 Zn4 B12 H48\n1.0\n0.000000 -4.776773 0.000000\n-8.313983 0.000000 1.458349\n-0.346632 0.000000 -18.003012\nNa Zn B H\n4 4 12 48\ndirect\n0.135943 0.315708 0.158475 Na\n0.635943 0.684292 0.341525 Na\n0.864057 0.684292 0.841525 Na\n0.364057 0.315708 0.658475 Na\n0.745456 0.793672 0.104843 Zn\n0.245456 0.206328 0.395157 Zn\n0.254544 0.206328 0.895157 Zn\n0.754544 0.793672 0.604843 Zn\n0.119126 0.248527 0.512746 B\n0.619126 0.751474 0.987254 B\n0.880874 0.751474 0.487254 B\n0.380874 0.248527 0.012746 B\n0.769393 0.578336 0.667001 B\n0.269393 0.421664 0.832999 B\n0.230607 0.421664 0.332999 B\n0.730607 0.578336 0.167001 B\n0.000913 0.005472 0.158164 B\n0.500913 0.994528 0.341836 B\n0.999087 0.994528 0.841836 B\n0.499087 0.005472 0.658164 B\n0.016551 0.189548 0.564094 H\n0.516551 0.810452 0.935906 H\n0.983449 0.810452 0.435906 H\n0.483449 0.189548 0.064094 H\n0.999291 0.368783 0.502073 H\n0.499291 0.631217 0.997927 H\n0.000709 0.631217 0.497927 H\n0.500709 0.368783 0.002073 H\n0.374767 0.265185 0.520335 H\n0.874767 0.734815 0.979665 H\n0.625233 0.734815 0.479665 H\n0.125233 0.265185 0.020335 H\n0.062892 0.126804 0.463983 H\n0.562892 0.873196 0.036017 H\n0.937108 0.873196 0.536017 H\n0.437108 0.126804 0.963983 H\n0.962058 0.678621 0.678313 H\n0.462058 0.321379 0.821687 H\n0.037942 0.321379 0.321687 H\n0.537942 0.678621 0.178313 H\n0.605375 0.598494 0.719617 H\n0.105375 0.401506 0.780383 H\n0.394625 0.401506 0.280383 H\n0.894625 0.598494 0.219617 H\n0.632976 0.587531 0.608467 H\n0.132976 0.412469 0.891533 H\n0.367024 0.412469 0.391533 H\n0.867024 0.587531 0.108467 H\n0.875747 0.446101 0.655190 H\n0.375747 0.553899 0.844810 H\n0.124253 0.553899 0.344810 H\n0.624253 0.446101 0.155190 H\n0.198338 0.957504 0.118301 H\n0.698338 0.042496 0.381700 H\n0.801662 0.042496 0.881699 H\n0.301662 0.957504 0.618301 H\n0.077580 0.081415 0.217536 H\n0.577580 0.918585 0.282464 H\n0.922420 0.918585 0.782464 H\n0.422420 0.081415 0.717536 H\n0.831898 0.080446 0.126595 H\n0.331898 0.919554 0.373405 H\n0.168102 0.919554 0.873405 H\n0.668102 0.080446 0.626595 H\n0.890236 0.895247 0.188290 H\n0.390236 0.104753 0.311710 H\n0.109764 0.104753 0.811710 H\n0.609764 0.895247 0.688290 H\n",
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},
{
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