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{
"id": "mp-697764",
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{
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"structure_string": "V8 F32\n1.0\n7.441521 0.000000 0.000000\n0.000000 7.675829 0.000000\n0.000000 0.000000 10.779583\nV F\n8 32\ndirect\n0.999836 0.607018 0.246272 V\n0.500164 0.607018 0.246272 V\n0.000164 0.107018 0.253728 V\n0.499836 0.107018 0.253728 V\n0.999836 0.892982 0.746272 V\n0.500164 0.892982 0.746272 V\n0.499836 0.392982 0.753728 V\n0.000164 0.392982 0.753728 V\n0.060364 0.627396 0.088365 F\n0.439636 0.627396 0.088365 F\n0.065219 0.093834 0.096591 F\n0.434781 0.093834 0.096591 F\n0.750000 0.560536 0.195244 F\n0.750000 0.154439 0.204838 F\n0.446374 0.358343 0.246700 F\n0.053626 0.358343 0.246700 F\n0.946374 0.858343 0.253300 F\n0.553626 0.858343 0.253300 F\n0.250000 0.654439 0.295162 F\n0.250000 0.060536 0.304756 F\n0.934781 0.593834 0.403409 F\n0.565219 0.593834 0.403409 F\n0.939636 0.127396 0.411635 F\n0.560364 0.127396 0.411635 F\n0.060364 0.872604 0.588365 F\n0.439636 0.872604 0.588365 F\n0.065219 0.406166 0.596591 F\n0.434781 0.406166 0.596591 F\n0.750000 0.939464 0.695244 F\n0.750000 0.345561 0.704838 F\n0.053626 0.141657 0.746700 F\n0.446374 0.141657 0.746700 F\n0.553626 0.641657 0.753300 F\n0.946374 0.641657 0.753300 F\n0.250000 0.845561 0.795162 F\n0.250000 0.439464 0.804756 F\n0.565219 0.906166 0.903409 F\n0.934781 0.906166 0.903409 F\n0.560364 0.372604 0.911635 F\n0.939636 0.372604 0.911635 F\n",
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{
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{
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"structure_string": "Dy8 W4 O24\n1.0\n5.561781 8.182802 0.000000\n-5.561781 8.182802 0.000000\n0.000000 1.602211 5.165468\nDy W O\n8 4 24\ndirect\n0.944033 0.715012 0.382798 Dy\n0.715012 0.944033 0.882798 Dy\n0.366038 0.633962 0.250000 Dy\n0.894568 0.105432 0.250000 Dy\n0.105432 0.894568 0.750000 Dy\n0.633962 0.366038 0.750000 Dy\n0.284988 0.055967 0.117202 Dy\n0.055967 0.284988 0.617202 Dy\n0.800359 0.505826 0.066403 W\n0.505826 0.800359 0.566403 W\n0.494174 0.199641 0.433597 W\n0.199641 0.494174 0.933597 W\n0.892624 0.924521 0.078182 O\n0.924521 0.892624 0.578182 O\n0.526569 0.939148 0.261358 O\n0.784304 0.683631 0.147144 O\n0.939148 0.526569 0.761358 O\n0.683631 0.784304 0.647144 O\n0.823958 0.379776 0.385133 O\n0.379776 0.823958 0.885133 O\n0.611328 0.544550 0.020331 O\n0.312071 0.840277 0.421025 O\n0.544550 0.611328 0.520331 O\n0.840277 0.312071 0.921025 O\n0.159723 0.687929 0.078975 O\n0.455450 0.388672 0.479669 O\n0.687929 0.159723 0.578975 O\n0.388672 0.455450 0.979669 O\n0.620224 0.176042 0.114867 O\n0.176042 0.620224 0.614867 O\n0.316369 0.215696 0.352856 O\n0.060852 0.473431 0.238642 O\n0.215696 0.316369 0.852856 O\n0.473431 0.060852 0.738642 O\n0.075479 0.107376 0.421818 O\n0.107376 0.075479 0.921818 O\n",
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{
"id": "mp-1017180",
"created_at": "2022-09-04T14:40:06.785684Z",
"structure_string": "Mg12 Cd2 Bi2\n1.0\n5.381932 0.000000 0.000000\n0.000000 6.509686 0.000000\n0.000000 0.000000 10.922333\nMg Cd Bi\n12 2 2\ndirect\n0.500000 0.249525 0.583729 Mg\n0.500000 0.750475 0.583729 Mg\n0.000000 0.253802 0.417568 Mg\n0.000000 0.746198 0.417568 Mg\n0.000000 0.000000 0.666855 Mg\n0.000000 0.000000 0.164622 Mg\n0.500000 0.749525 0.083729 Mg\n0.500000 0.250475 0.083729 Mg\n0.000000 0.753802 0.917568 Mg\n0.000000 0.246198 0.917568 Mg\n0.000000 0.500000 0.166855 Mg\n0.000000 0.500000 0.664622 Mg\n0.500000 0.000000 0.832502 Cd\n0.500000 0.500000 0.332502 Cd\n0.500000 0.000000 0.333432 Bi\n0.500000 0.500000 0.833432 Bi\n",
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],
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"formula_full": "Mg12 Cd2 Bi2",
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{
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"structure_string": "Li4 Al4 H16\n1.0\n7.824700 0.000000 0.000000\n0.000000 4.861909 0.000000\n0.000000 2.923327 7.306969\nLi Al H\n4 4 16\ndirect\n0.964769 0.429311 0.324344 Li\n0.464769 0.570689 0.175656 Li\n0.035231 0.570689 0.675656 Li\n0.535231 0.429311 0.824344 Li\n0.702163 0.860251 0.432306 Al\n0.202163 0.139749 0.067694 Al\n0.297837 0.139749 0.567694 Al\n0.797837 0.860251 0.932306 Al\n0.599040 0.817573 0.264314 H\n0.099040 0.182427 0.235686 H\n0.400960 0.182427 0.735686 H\n0.900960 0.817573 0.764314 H\n0.872010 0.646198 0.477774 H\n0.372010 0.353802 0.022226 H\n0.127990 0.353802 0.522226 H\n0.627990 0.646198 0.977774 H\n0.582592 0.761803 0.614221 H\n0.082592 0.238197 0.885779 H\n0.417408 0.238197 0.385779 H\n0.917408 0.761803 0.114221 H\n0.764020 0.201883 0.372382 H\n0.264020 0.798117 0.127618 H\n0.235980 0.798117 0.627618 H\n0.735980 0.201883 0.872382 H\n",
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{
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{
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{
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"structure_string": "Ba2 Sc1 Os1 O6\n1.0\n0.000000 4.126697 4.126697\n4.126697 0.000000 4.126697\n4.126697 4.126697 0.000000\nBa Sc Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Os\n0.757830 0.242170 0.242170 O\n0.242170 0.757830 0.757830 O\n0.242170 0.757830 0.242170 O\n0.757830 0.242170 0.757830 O\n0.242170 0.242170 0.757830 O\n0.757830 0.757830 0.242170 O\n",
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{
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},
{
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{
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"structure_string": "Sn4 S32 N32 Cl16\n1.0\n12.115799 0.000000 0.000000\n0.000000 12.762665 0.000000\n0.000000 0.000000 12.962967\nSn S N Cl\n4 32 32 16\ndirect\n0.247299 0.001081 0.569808 Sn\n0.752701 0.001081 0.069808 Sn\n0.752701 0.501081 0.430192 Sn\n0.247299 0.501081 0.930192 Sn\n0.883017 0.097171 0.742104 S\n0.612533 0.893582 0.394685 S\n0.947056 0.657631 0.104391 S\n0.513977 0.559513 0.852035 S\n0.513977 0.059513 0.647965 S\n0.641480 0.101970 0.295909 S\n0.486023 0.059513 0.147965 S\n0.021869 0.448202 0.508776 S\n0.358520 0.601970 0.704091 S\n0.558687 0.348892 0.763621 S\n0.387467 0.893582 0.894685 S\n0.052944 0.657631 0.604391 S\n0.052944 0.157631 0.895609 S\n0.866465 0.392037 0.651843 S\n0.116983 0.597171 0.257896 S\n0.021869 0.948202 0.991224 S\n0.441313 0.348892 0.263621 S\n0.641480 0.601970 0.204091 S\n0.486023 0.559513 0.352035 S\n0.358520 0.101970 0.795909 S\n0.133535 0.392037 0.151843 S\n0.866465 0.892037 0.848157 S\n0.978131 0.948202 0.491224 S\n0.133535 0.892037 0.348157 S\n0.612533 0.393582 0.105315 S\n0.883017 0.597171 0.757896 S\n0.947056 0.157631 0.395609 S\n0.978131 0.448202 0.008776 S\n0.441313 0.848892 0.236379 S\n0.558687 0.848892 0.736379 S\n0.387467 0.393582 0.605315 S\n0.116983 0.097171 0.242104 S\n0.450729 0.332309 0.695025 N\n0.639700 0.012356 0.381826 N\n0.381195 0.052155 0.678823 N\n0.549271 0.832309 0.304975 N\n0.360300 0.512356 0.618174 N\n0.112132 0.947127 0.462646 N\n0.138332 0.977532 0.258423 N\n0.920773 0.555356 0.042511 N\n0.057453 0.664765 0.171050 N\n0.421963 0.954330 0.177793 N\n0.079227 0.555356 0.542511 N\n0.861668 0.977532 0.758423 N\n0.639700 0.512356 0.118174 N\n0.942547 0.164765 0.828950 N\n0.450729 0.832309 0.804975 N\n0.057453 0.164765 0.328950 N\n0.138332 0.477532 0.241577 N\n0.079227 0.055356 0.957489 N\n0.578037 0.954330 0.677793 N\n0.887868 0.947127 0.962646 N\n0.920773 0.055356 0.457489 N\n0.861668 0.477532 0.741577 N\n0.578037 0.454330 0.822207 N\n0.421963 0.454330 0.322207 N\n0.112132 0.447127 0.037354 N\n0.887868 0.447127 0.537354 N\n0.360300 0.012356 0.881826 N\n0.549271 0.332309 0.195025 N\n0.618805 0.052155 0.178823 N\n0.942547 0.664765 0.671050 N\n0.618805 0.552155 0.321177 N\n0.381195 0.552155 0.821177 N\n0.144510 0.161563 0.609276 Cl\n0.152368 0.911884 0.711422 Cl\n0.655247 0.590590 0.570682 Cl\n0.344753 0.590590 0.070682 Cl\n0.855490 0.661563 0.390724 Cl\n0.652586 0.339052 0.474035 Cl\n0.847632 0.411884 0.288578 Cl\n0.344753 0.090590 0.429318 Cl\n0.655247 0.090590 0.929318 Cl\n0.144510 0.661563 0.890724 Cl\n0.652586 0.839052 0.025965 Cl\n0.347414 0.839052 0.525965 Cl\n0.347414 0.339052 0.974035 Cl\n0.152368 0.411884 0.788578 Cl\n0.847632 0.911884 0.211422 Cl\n0.855490 0.161563 0.109276 Cl\n",
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"elements": [
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],
"chemical_system": "Cl-N-S-Sn",
"density": 2.084624758081157,
"density_atomic": 0.041906504880174784,
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"formula_full": "Sn4 S32 N32 Cl16",
"formula_reduced": "SnS8(N2Cl)4",
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"updated_at": "2021-11-28T01:34:47.657000Z",
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}
]
}