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{
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"results": [
{
"id": "mp-1233960",
"created_at": "2022-09-04T14:45:56.107926Z",
"structure_string": "Ba6 Mg1 Sc2 C2 O6 F14\n1.0\n5.962239 0.000000 0.000000\n0.000000 8.980456 -0.541857\n0.000000 1.182542 10.837430\nBa Mg Sc C O F\n6 1 2 2 6 14\ndirect\n0.250000 0.828394 0.588469 Ba\n0.750000 0.552101 0.779809 Ba\n0.250000 0.451724 0.224236 Ba\n0.750000 0.005177 0.878418 Ba\n0.250000 0.969167 0.175603 Ba\n0.750000 0.173110 0.404895 Ba\n0.250000 0.304159 0.936559 Mg\n0.250000 0.241732 0.658225 Sc\n0.750000 0.759574 0.296245 Sc\n0.250000 0.477863 0.520859 C\n0.750000 0.539309 0.472009 C\n0.250000 0.590337 0.447704 O\n0.750000 0.678549 0.500967 O\n0.250000 0.485980 0.640888 O\n0.250000 0.340577 0.480750 O\n0.750000 0.431656 0.553849 O\n0.750000 0.514753 0.354396 O\n0.482189 0.207255 0.228357 F\n0.250000 0.077274 0.946511 F\n0.750000 0.929651 0.125780 F\n0.517453 0.797496 0.781299 F\n0.477328 0.088643 0.611255 F\n0.490281 0.699291 0.194456 F\n0.016367 0.272944 0.795022 F\n0.483633 0.272944 0.795022 F\n0.022672 0.088643 0.611255 F\n0.981457 0.908828 0.371526 F\n0.982547 0.797496 0.781299 F\n0.017811 0.207255 0.228357 F\n0.009719 0.699291 0.194456 F\n0.518543 0.908828 0.371526 F\n",
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],
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"formula_full": "Ba6 Mg1 Sc2 C2 O6 F14",
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"spacegroup": 6
},
{
"id": "mp-1203028",
"created_at": "2022-09-04T14:41:58.725142Z",
"structure_string": "Ga4 As4 H20 C4 N4 O20\n1.0\n4.704464 0.000000 -0.459577\n0.000000 6.182951 0.000000\n-0.311088 0.000000 19.291074\nGa As H C N O\n4 4 20 4 4 20\ndirect\n0.992695 0.865576 0.746166 Ga\n0.007305 0.365576 0.753834 Ga\n0.007305 0.134424 0.253834 Ga\n0.992695 0.634424 0.246166 Ga\n0.511517 0.107501 0.845632 As\n0.488483 0.607501 0.654368 As\n0.488483 0.892499 0.154368 As\n0.511517 0.392499 0.345632 As\n0.095459 0.115938 0.065942 H\n0.904541 0.615938 0.434058 H\n0.904541 0.884062 0.934058 H\n0.095459 0.384062 0.565942 H\n0.856878 0.294027 0.092435 H\n0.143122 0.794027 0.407565 H\n0.143122 0.705973 0.907565 H\n0.856878 0.205973 0.592435 H\n0.793904 0.175951 0.011734 H\n0.206096 0.675951 0.488266 H\n0.206096 0.824049 0.988266 H\n0.793904 0.324049 0.511734 H\n0.265167 0.482187 0.054656 H\n0.734833 0.982187 0.445344 H\n0.734833 0.517813 0.945344 H\n0.265167 0.017813 0.554656 H\n0.209500 0.335485 0.974158 H\n0.790500 0.835485 0.525842 H\n0.790500 0.664515 0.025842 H\n0.209500 0.164515 0.474158 H\n0.103136 0.413505 0.015355 C\n0.896864 0.913505 0.484645 C\n0.896864 0.586495 0.984645 C\n0.103136 0.086495 0.515355 C\n0.948446 0.241554 0.049150 N\n0.051554 0.741554 0.450850 N\n0.051554 0.758446 0.950850 N\n0.948446 0.258446 0.549150 N\n0.653285 0.078460 0.929748 O\n0.346715 0.578460 0.570252 O\n0.346715 0.921540 0.070252 O\n0.653285 0.421540 0.429748 O\n0.310301 0.880144 0.822713 O\n0.689699 0.380144 0.677287 O\n0.689699 0.119856 0.177287 O\n0.310301 0.619856 0.322713 O\n0.317165 0.342332 0.831684 O\n0.682835 0.842332 0.668316 O\n0.682835 0.657668 0.168316 O\n0.317165 0.157668 0.331684 O\n0.790827 0.112459 0.793108 O\n0.209173 0.612459 0.706892 O\n0.209173 0.887541 0.206892 O\n0.790827 0.387541 0.293108 O\n0.132035 0.119376 0.698298 O\n0.867965 0.619376 0.801702 O\n0.867965 0.880624 0.301702 O\n0.132035 0.380624 0.198298 O\n",
"nsites": 56,
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"elements": [
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"As",
"H",
"C",
"N",
"O"
],
"chemical_system": "As-C-Ga-H-N-O",
"density": 3.031516592504477,
"density_atomic": 0.09995634510345604,
"volume": 560.2445741892554,
"volume_molar": 6.024770867489212,
"formula_full": "Ga4 As4 H20 C4 N4 O20",
"formula_reduced": "GaAsH5CNO5",
"formula_anonymous": "ABCDE5F5",
"energy": -325.34698772,
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"updated_at": "2021-11-28T01:35:31.712000Z",
"spacegroup": 14
},
{
"id": "mp-555329",
"created_at": "2022-09-04T14:45:56.225648Z",
"structure_string": "C4 Se8 S8 N8 O12 F12\n1.0\n11.057812 0.000000 0.000000\n0.000000 8.965557 0.000000\n0.000000 8.909279 9.059558\nC Se S N O F\n4 8 8 8 12 12\ndirect\n0.012286 0.665002 0.772861 C\n0.487714 0.665002 0.272861 C\n0.987714 0.334998 0.227139 C\n0.512286 0.334998 0.727139 C\n0.411498 0.238610 0.160320 Se\n0.911498 0.761390 0.339680 Se\n0.899029 0.281635 0.544715 Se\n0.399029 0.718365 0.955285 Se\n0.588502 0.761390 0.839680 Se\n0.600971 0.281635 0.044715 Se\n0.088502 0.238610 0.660320 Se\n0.100971 0.718365 0.455285 Se\n0.875588 0.091446 0.847389 S\n0.866044 0.608638 0.731585 S\n0.624412 0.091446 0.347389 S\n0.366044 0.391362 0.768415 S\n0.375588 0.908554 0.652611 S\n0.133956 0.391362 0.268415 S\n0.124412 0.908554 0.152611 S\n0.633956 0.608638 0.231585 S\n0.187914 0.835231 0.292983 N\n0.016613 0.117663 0.831379 N\n0.483387 0.117663 0.331379 N\n0.983387 0.882337 0.168621 N\n0.812086 0.164769 0.707017 N\n0.687914 0.164769 0.207017 N\n0.516613 0.882337 0.668621 N\n0.312086 0.835231 0.792983 N\n0.791306 0.790032 0.665993 O\n0.825916 0.409973 0.874273 O\n0.325916 0.590027 0.625727 O\n0.291306 0.209968 0.834007 O\n0.208694 0.209968 0.334007 O\n0.674084 0.409973 0.374273 O\n0.174084 0.590027 0.125727 O\n0.095362 0.406960 0.371940 O\n0.904638 0.593040 0.628060 O\n0.404638 0.406960 0.871940 O\n0.708694 0.790032 0.165993 O\n0.595362 0.593040 0.128060 O\n0.007645 0.291273 0.145846 F\n0.589000 0.499786 0.652276 F\n0.567817 0.165932 0.854615 F\n0.911000 0.499786 0.152276 F\n0.507645 0.708727 0.354154 F\n0.067817 0.834068 0.645385 F\n0.432183 0.834068 0.145385 F\n0.932183 0.165932 0.354615 F\n0.992355 0.708727 0.854154 F\n0.492355 0.291273 0.645846 F\n0.411000 0.500214 0.347724 F\n0.089000 0.500214 0.847724 F\n",
"nsites": 52,
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"elements": [
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"Se",
"S",
"N",
"O",
"F"
],
"chemical_system": "C-F-N-O-S-Se",
"density": 2.7145731328545413,
"density_atomic": 0.05789617281212423,
"volume": 898.1595410242818,
"volume_molar": 10.401621501894654,
"formula_full": "C4 Se8 S8 N8 O12 F12",
"formula_reduced": "CSe2S2N2(OF)3",
"formula_anonymous": "AB2C2D2E3F3",
"energy": -298.29345703,
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"updated_at": "2021-11-28T01:37:08.745000Z",
"spacegroup": 14
},
{
"id": "mp-1210571",
"created_at": "2022-09-04T14:41:59.406091Z",
"structure_string": "Na4 Cd6 P8 N2 Cl2 O28\n1.0\n2.709711 10.947878 0.000000\n-2.709711 10.947878 0.000000\n0.000000 7.358400 12.357286\nNa Cd P N Cl O\n4 6 8 2 2 28\ndirect\n0.758546 0.809007 0.651992 Na\n0.241454 0.190993 0.348008 Na\n0.190993 0.241454 0.848008 Na\n0.809007 0.758546 0.151992 Na\n0.160531 0.142354 0.657941 Cd\n0.839469 0.857646 0.342060 Cd\n0.857646 0.839469 0.842060 Cd\n0.142354 0.160531 0.157941 Cd\n0.456347 0.543653 0.750000 Cd\n0.543653 0.456347 0.250000 Cd\n0.643057 0.674633 0.003262 P\n0.356943 0.325367 0.996738 P\n0.325367 0.356943 0.496738 P\n0.674633 0.643057 0.503262 P\n0.614729 0.623006 0.834769 P\n0.385271 0.376994 0.165231 P\n0.376994 0.385271 0.665231 P\n0.623006 0.614729 0.334769 P\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.962555 0.037445 0.750000 Cl\n0.037445 0.962555 0.250000 Cl\n0.463881 0.449577 0.643967 O\n0.536119 0.550423 0.356033 O\n0.550423 0.536119 0.856033 O\n0.449577 0.463881 0.143967 O\n0.429268 0.355053 0.546288 O\n0.570732 0.644947 0.453712 O\n0.644947 0.570732 0.953712 O\n0.355053 0.429268 0.046288 O\n0.632729 0.040953 0.985809 O\n0.367271 0.959047 0.014191 O\n0.959047 0.367271 0.514191 O\n0.040953 0.632729 0.485809 O\n0.504222 0.735122 0.613902 O\n0.495778 0.264878 0.386098 O\n0.264878 0.495778 0.886098 O\n0.735122 0.504222 0.113902 O\n0.375546 0.164920 0.575632 O\n0.624454 0.835080 0.424368 O\n0.835080 0.624454 0.924368 O\n0.164920 0.375546 0.075632 O\n0.535925 0.127960 0.739052 O\n0.464075 0.872040 0.260948 O\n0.872040 0.464075 0.760948 O\n0.127960 0.535925 0.239052 O\n0.403367 0.909861 0.791039 O\n0.596633 0.090139 0.208961 O\n0.090139 0.596633 0.708961 O\n0.909861 0.403367 0.291039 O\n",
"nsites": 50,
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],
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"formula_full": "Na4 Cd6 P8 N2 Cl2 O28",
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},
{
"id": "mp-707774",
"created_at": "2022-09-04T14:42:03.500456Z",
"structure_string": "Mg12 B8 H36 S4 O52 F4\n1.0\n8.526515 0.000000 0.000000\n0.000000 10.268004 0.000000\n0.000000 0.000000 13.107021\nMg B H S O F\n12 8 36 4 52 4\ndirect\n0.004366 0.653969 0.250000 Mg\n0.495634 0.153969 0.250000 Mg\n0.995634 0.346031 0.750000 Mg\n0.504366 0.846031 0.750000 Mg\n0.108326 0.577202 0.608418 Mg\n0.391674 0.077202 0.891582 Mg\n0.891674 0.422798 0.108418 Mg\n0.608326 0.922798 0.391582 Mg\n0.891674 0.422798 0.391582 Mg\n0.608326 0.922798 0.108418 Mg\n0.108326 0.577202 0.891582 Mg\n0.391674 0.077202 0.608418 Mg\n0.362965 0.805619 0.518748 B\n0.137035 0.305619 0.981252 B\n0.637035 0.194381 0.018748 B\n0.862965 0.694381 0.481252 B\n0.637035 0.194381 0.481252 B\n0.862965 0.694381 0.018748 B\n0.362965 0.805619 0.981252 B\n0.137035 0.305619 0.518748 B\n0.686658 0.596920 0.279276 H\n0.813342 0.096920 0.220724 H\n0.313342 0.403080 0.779276 H\n0.186658 0.903080 0.720724 H\n0.313342 0.403080 0.720724 H\n0.186658 0.903080 0.779276 H\n0.686658 0.596920 0.220724 H\n0.813342 0.096920 0.279276 H\n0.357845 0.625177 0.459419 H\n0.142155 0.125177 0.040581 H\n0.642155 0.374823 0.959419 H\n0.857845 0.874823 0.540581 H\n0.642155 0.374823 0.540581 H\n0.857845 0.874823 0.959419 H\n0.357845 0.625177 0.040581 H\n0.142155 0.125177 0.459419 H\n0.311402 0.840744 0.137796 H\n0.188598 0.340744 0.362204 H\n0.688598 0.159256 0.637796 H\n0.811402 0.659256 0.862204 H\n0.688598 0.159256 0.862204 H\n0.811402 0.659256 0.637796 H\n0.311402 0.840744 0.362204 H\n0.188598 0.340744 0.137796 H\n0.914368 0.873947 0.308067 H\n0.585632 0.373947 0.191933 H\n0.085632 0.126053 0.808067 H\n0.414368 0.626053 0.691933 H\n0.085632 0.126053 0.691933 H\n0.414368 0.626053 0.808067 H\n0.914368 0.873947 0.191933 H\n0.585632 0.373947 0.308067 H\n0.446909 0.256105 0.750000 H\n0.053091 0.756105 0.750000 H\n0.553091 0.743895 0.250000 H\n0.946909 0.243895 0.250000 H\n0.154826 0.981165 0.250000 S\n0.345174 0.481165 0.250000 S\n0.845174 0.018835 0.750000 S\n0.654826 0.518835 0.750000 S\n0.939341 0.009835 0.654828 O\n0.560659 0.509835 0.845172 O\n0.060659 0.990165 0.154828 O\n0.439341 0.490165 0.345172 O\n0.060659 0.990165 0.345172 O\n0.439341 0.490165 0.154828 O\n0.939341 0.009835 0.845172 O\n0.560659 0.509835 0.654828 O\n0.227035 0.843780 0.250000 O\n0.272965 0.343780 0.250000 O\n0.772965 0.156220 0.750000 O\n0.727035 0.656220 0.750000 O\n0.222146 0.582022 0.250000 O\n0.277854 0.082022 0.250000 O\n0.777854 0.417978 0.750000 O\n0.722146 0.917978 0.750000 O\n0.914691 0.625519 0.401134 O\n0.585309 0.125519 0.098866 O\n0.085309 0.374481 0.901134 O\n0.414691 0.874481 0.598866 O\n0.085309 0.374481 0.598866 O\n0.414691 0.874481 0.901134 O\n0.914691 0.625519 0.098866 O\n0.585309 0.125519 0.401134 O\n0.073673 0.759496 0.657314 O\n0.426327 0.259496 0.842686 O\n0.926327 0.240504 0.157314 O\n0.573673 0.740504 0.342686 O\n0.926327 0.240504 0.342686 O\n0.573673 0.740504 0.157314 O\n0.073673 0.759496 0.842686 O\n0.426327 0.259496 0.657314 O\n0.313014 0.672392 0.518716 O\n0.186986 0.172392 0.981284 O\n0.686986 0.327608 0.018716 O\n0.813014 0.827608 0.481284 O\n0.686986 0.327608 0.481284 O\n0.813014 0.827608 0.018716 O\n0.313014 0.672392 0.981284 O\n0.186986 0.172392 0.518716 O\n0.125933 0.179305 0.750000 O\n0.374067 0.679305 0.750000 O\n0.874067 0.820695 0.250000 O\n0.625933 0.320695 0.250000 O\n0.630991 0.127099 0.574571 O\n0.869009 0.627099 0.925429 O\n0.369009 0.872901 0.074571 O\n0.130991 0.372901 0.425429 O\n0.369009 0.872901 0.425429 O\n0.130991 0.372901 0.074571 O\n0.630991 0.127099 0.925429 O\n0.869009 0.627099 0.574571 O\n0.432423 0.028233 0.750000 F\n0.067577 0.528233 0.750000 F\n0.567577 0.971767 0.250000 F\n0.932423 0.471767 0.250000 F\n",
"nsites": 116,
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"elements": [
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],
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"density": 2.0991913441200305,
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"formula_full": "Mg12 B8 H36 S4 O52 F4",
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"energy": -680.68347451,
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"updated_at": "2021-11-28T01:35:36.609000Z",
"spacegroup": 62
},
{
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{
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{
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"structure_string": "Ca8 Be6 Al2 Si18 H6 O56\n1.0\n0.000000 -5.034577 -0.020756\n-11.750339 -2.517288 -0.010378\n0.000000 -0.080834 -19.687061\nCa Be Al Si H O\n8 6 2 18 6 56\ndirect\n0.674503 0.165643 0.652104 Ca\n0.159854 0.165643 0.347896 Ca\n0.656949 0.162283 0.843442 Ca\n0.180768 0.162283 0.156558 Ca\n0.325497 0.834357 0.347896 Ca\n0.840146 0.834357 0.652104 Ca\n0.343051 0.837717 0.156558 Ca\n0.819232 0.837717 0.843442 Ca\n0.052773 0.247517 0.749922 Be\n0.699710 0.247517 0.250078 Be\n0.947227 0.752483 0.250078 Be\n0.300290 0.752483 0.749922 Be\n0.302151 0.000000 0.896977 Be\n0.697849 0.000000 0.103023 Be\n0.405304 0.189391 0.500000 Al\n0.594696 0.810609 0.500000 Al\n0.918793 0.427314 0.643465 Si\n0.653894 0.427314 0.356535 Si\n0.916773 0.426638 0.855678 Si\n0.656589 0.426638 0.144322 Si\n0.081207 0.572686 0.356535 Si\n0.346106 0.572686 0.643465 Si\n0.083227 0.573362 0.144322 Si\n0.343411 0.573362 0.855678 Si\n0.226039 0.000000 0.753395 Si\n0.773961 0.000000 0.246605 Si\n0.830283 0.339433 0.500000 Si\n0.831504 0.336992 0.000000 Si\n0.169717 0.660566 0.500000 Si\n0.168496 0.663008 0.000000 Si\n0.409393 0.181214 0.000000 Si\n0.590607 0.818786 0.000000 Si\n0.276517 0.000000 0.605723 Si\n0.723483 0.000000 0.394277 Si\n0.724308 0.680144 0.749175 H\n0.595548 0.680144 0.250825 H\n0.275692 0.319856 0.250825 H\n0.404452 0.319856 0.749175 H\n0.891679 0.000000 0.935839 H\n0.108321 0.000000 0.064161 H\n0.197382 0.468085 0.665392 O\n0.334533 0.468085 0.334608 O\n0.198557 0.467233 0.835552 O\n0.334210 0.467233 0.164448 O\n0.802618 0.531915 0.334608 O\n0.665467 0.531915 0.665392 O\n0.801443 0.532767 0.164448 O\n0.665790 0.532767 0.835552 O\n0.421906 0.000000 0.683689 O\n0.578094 0.000000 0.316311 O\n0.428616 0.000000 0.818219 O\n0.571384 0.000000 0.181781 O\n0.919758 0.416180 0.560490 O\n0.664062 0.416180 0.439510 O\n0.909199 0.413652 0.938697 O\n0.677149 0.413652 0.061303 O\n0.080242 0.583820 0.439510 O\n0.335938 0.583820 0.560490 O\n0.090801 0.586348 0.061303 O\n0.322851 0.586348 0.938697 O\n0.637704 0.262009 0.536408 O\n0.100287 0.262009 0.463592 O\n0.624664 0.259119 0.969845 O\n0.116217 0.259119 0.030155 O\n0.362296 0.737991 0.463592 O\n0.899713 0.737991 0.536408 O\n0.375336 0.740881 0.030155 O\n0.883783 0.740881 0.969845 O\n0.985091 0.116017 0.750910 O\n0.898892 0.116017 0.249090 O\n0.014909 0.883983 0.249090 O\n0.101108 0.883983 0.750910 O\n0.907354 0.308326 0.680885 O\n0.784320 0.308326 0.319115 O\n0.904075 0.307666 0.819504 O\n0.788259 0.307666 0.180496 O\n0.092646 0.691674 0.319115 O\n0.215680 0.691674 0.680885 O\n0.095925 0.692334 0.180496 O\n0.211741 0.692334 0.819504 O\n0.346294 0.114693 0.572792 O\n0.539014 0.114693 0.427208 O\n0.359254 0.113957 0.932375 O\n0.526788 0.113957 0.067625 O\n0.653706 0.885307 0.427208 O\n0.460986 0.885307 0.572792 O\n0.640746 0.886043 0.067625 O\n0.473212 0.886043 0.932375 O\n0.959951 0.000000 0.612726 O\n0.040049 0.000000 0.387274 O\n0.973517 0.000000 0.891060 O\n0.026483 0.000000 0.108940 O\n0.382758 0.240981 0.749637 O\n0.376261 0.240981 0.250363 O\n0.617242 0.759019 0.250363 O\n0.623739 0.759019 0.749637 O\n",
"nsites": 96,
"nelements": 6,
"elements": [
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"Be",
"Al",
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"H",
"O"
],
"chemical_system": "Al-Be-Ca-H-O-Si",
"density": 2.6180943029226738,
"density_atomic": 0.08242981287763015,
"volume": 1164.62717369643,
"volume_molar": 7.305779971792575,
"formula_full": "Ca8 Be6 Al2 Si18 H6 O56",
"formula_reduced": "Ca4Be3AlSi9H3O28",
"formula_anonymous": "AB3C3D4E9F28",
"energy": -743.986017,
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"formation_energy": null,
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"energy_uncorrected": -705.514017,
"band_gap": 4.8696,
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"is_magnetic": false,
"total_magnetization": 0.0004923,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.521000Z",
"spacegroup": 12
},
{
"id": "mp-773906",
"created_at": "2022-09-04T14:42:08.168685Z",
"structure_string": "K4 Na4 Zr4 Si12 H16 O44\n1.0\n6.812709 0.000000 0.000000\n0.000000 11.946177 0.000000\n0.000000 0.000000 13.132721\nK Na Zr Si H O\n4 4 4 12 16 44\ndirect\n0.912086 0.250763 0.350503 K\n0.587914 0.250763 0.850503 K\n0.412086 0.750763 0.149497 K\n0.087914 0.750763 0.649497 K\n0.828755 0.497938 0.108571 Na\n0.671245 0.497938 0.608571 Na\n0.328755 0.997938 0.391429 Na\n0.171245 0.997938 0.891429 Na\n0.147793 0.249193 0.052656 Zr\n0.352207 0.249193 0.552656 Zr\n0.647793 0.749193 0.447344 Zr\n0.852207 0.749193 0.947344 Zr\n0.646131 0.212779 0.110235 Si\n0.853869 0.212779 0.610235 Si\n0.112355 0.281780 0.786844 Si\n0.387645 0.281780 0.286844 Si\n0.389051 0.497930 0.414793 Si\n0.110949 0.497930 0.914793 Si\n0.146131 0.712779 0.389765 Si\n0.353869 0.712779 0.889765 Si\n0.887645 0.781780 0.213156 Si\n0.612355 0.781780 0.713156 Si\n0.889051 0.997930 0.085207 Si\n0.610949 0.997930 0.585207 Si\n0.266029 0.012768 0.166137 H\n0.233971 0.012768 0.666137 H\n0.492223 0.011199 0.179805 H\n0.007777 0.011199 0.679805 H\n0.450166 0.484704 0.191871 H\n0.049834 0.484704 0.691871 H\n0.378880 0.485980 0.079207 H\n0.121120 0.485980 0.579207 H\n0.766029 0.512768 0.333863 H\n0.733971 0.512768 0.833863 H\n0.992223 0.511199 0.320195 H\n0.507777 0.511199 0.820195 H\n0.950166 0.984704 0.308129 H\n0.549834 0.984704 0.808129 H\n0.621120 0.985980 0.920793 H\n0.878880 0.985980 0.420793 H\n0.980168 0.017846 0.375300 O\n0.519832 0.017846 0.875300 O\n0.083886 0.075305 0.071238 O\n0.416114 0.075305 0.571238 O\n0.695291 0.075972 0.112116 O\n0.804709 0.075972 0.612116 O\n0.363678 0.214863 0.393332 O\n0.136322 0.214863 0.893332 O\n0.453607 0.233233 0.040761 O\n0.046393 0.233233 0.540761 O\n0.593523 0.243786 0.229997 O\n0.906477 0.243786 0.729997 O\n0.203627 0.269373 0.209189 O\n0.296373 0.269373 0.709189 O\n0.840692 0.279525 0.073646 O\n0.659308 0.279525 0.573646 O\n0.419085 0.417447 0.313437 O\n0.080915 0.417447 0.813437 O\n0.156735 0.422585 0.015193 O\n0.343265 0.422585 0.515193 O\n0.870477 0.480034 0.290840 O\n0.629523 0.480034 0.790840 O\n0.480168 0.517846 0.124700 O\n0.019832 0.517846 0.624700 O\n0.583886 0.575305 0.428762 O\n0.916114 0.575305 0.928762 O\n0.195291 0.575972 0.387884 O\n0.304709 0.575972 0.887884 O\n0.863678 0.714863 0.106668 O\n0.636322 0.714863 0.606668 O\n0.546393 0.733233 0.959239 O\n0.953607 0.733233 0.459239 O\n0.093523 0.743786 0.270003 O\n0.406477 0.743786 0.770003 O\n0.703627 0.769373 0.290811 O\n0.796373 0.769373 0.790811 O\n0.340692 0.779525 0.426354 O\n0.159308 0.779525 0.926354 O\n0.919085 0.917447 0.186563 O\n0.580915 0.917447 0.686563 O\n0.843265 0.922585 0.984807 O\n0.656735 0.922585 0.484807 O\n0.370477 0.980034 0.209160 O\n0.129523 0.980034 0.709160 O\n",
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"elements": [
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"H",
"O"
],
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"density": 2.5951326129668453,
"density_atomic": 0.07859153735102475,
"volume": 1068.8173667454632,
"volume_molar": 7.662581701516337,
"formula_full": "K4 Na4 Zr4 Si12 H16 O44",
"formula_reduced": "KNaZrSi3H4O11",
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"updated_at": "2021-11-28T01:35:46.553000Z",
"spacegroup": 33
}
]
}