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{
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{
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"created_at": "2022-09-04T14:48:10.765674Z",
"structure_string": "Na4 S4 O8\n1.0\n6.758463 0.000000 0.000000\n0.000000 6.497521 0.000000\n0.000000 3.189471 5.851068\nNa S O\n4 4 8\ndirect\n0.148490 0.263644 0.022851 Na\n0.851510 0.736356 0.977149 Na\n0.148490 0.736356 0.477149 Na\n0.851510 0.263644 0.522851 Na\n0.337139 0.191056 0.571739 S\n0.337139 0.808944 0.928261 S\n0.662861 0.808944 0.428261 S\n0.662861 0.191056 0.071739 S\n0.237816 0.114400 0.413613 O\n0.237816 0.885600 0.086387 O\n0.762184 0.885600 0.586387 O\n0.762184 0.114400 0.913613 O\n0.185384 0.319818 0.642249 O\n0.814616 0.319818 0.142249 O\n0.814616 0.680182 0.357751 O\n0.185384 0.680182 0.857751 O\n",
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"formula_full": "Na4 S4 O8",
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{
"id": "mp-1084834",
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"structure_string": "K6 Tc3\n1.0\n4.868777 -8.432969 0.000000\n4.868777 8.432969 0.000000\n0.000000 0.000000 4.944836\nK Tc\n6 3\ndirect\n0.409227 0.409227 0.000000 K\n0.590773 0.000000 0.000000 K\n0.000000 0.590773 0.000000 K\n0.741402 0.741402 0.500000 K\n0.258598 0.000000 0.500000 K\n0.000000 0.258598 0.500000 K\n0.000000 0.000000 0.000000 Tc\n0.666667 0.333333 0.500000 Tc\n0.333333 0.666667 0.500000 Tc\n",
"nsites": 9,
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"elements": [
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"formula_full": "K6 Tc3",
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},
{
"id": "mp-3839",
"created_at": "2022-09-04T14:48:11.369289Z",
"structure_string": "Ga2 Cu2 Te4\n1.0\n-3.043530 3.043530 6.076328\n3.043530 -3.043530 6.076328\n3.043530 3.043530 -6.076328\nGa Cu Te\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.375000 0.361831 0.486831 Te\n0.638169 0.125000 0.013169 Te\n0.111831 0.625000 0.986831 Te\n0.875000 0.888169 0.513169 Te\n",
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"formula_full": "Ga2 Cu2 Te4",
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{
"id": "mp-1201162",
"created_at": "2022-09-04T14:48:15.419025Z",
"structure_string": "Te4 S28 Br8\n1.0\n9.294203 0.000000 0.000000\n0.000000 10.124794 0.000000\n0.000000 0.000000 13.922740\nTe S Br\n4 28 8\ndirect\n0.250000 0.298802 0.409215 Te\n0.250000 0.798802 0.090785 Te\n0.750000 0.701198 0.590785 Te\n0.750000 0.201198 0.909215 Te\n0.459957 0.175788 0.482491 S\n0.040043 0.675788 0.017509 S\n0.959957 0.824212 0.517509 S\n0.540043 0.324212 0.982491 S\n0.540043 0.824212 0.517509 S\n0.959957 0.324212 0.982491 S\n0.040043 0.175788 0.482491 S\n0.459957 0.675788 0.017509 S\n0.522170 0.260949 0.606332 S\n0.977830 0.760949 0.893668 S\n0.022170 0.739051 0.393668 S\n0.477830 0.239051 0.106332 S\n0.477830 0.739051 0.393668 S\n0.022170 0.239051 0.106332 S\n0.977830 0.260949 0.606332 S\n0.522170 0.760949 0.893668 S\n0.428674 0.156264 0.720058 S\n0.071326 0.656264 0.779942 S\n0.928674 0.843736 0.279942 S\n0.571326 0.343736 0.220058 S\n0.571326 0.843736 0.279942 S\n0.928674 0.343736 0.220058 S\n0.071326 0.156264 0.720058 S\n0.428674 0.656264 0.779942 S\n0.250000 0.255399 0.770020 S\n0.250000 0.755399 0.729980 S\n0.750000 0.744601 0.229980 S\n0.750000 0.244601 0.270020 S\n0.250000 0.487242 0.537182 Br\n0.250000 0.987242 0.962818 Br\n0.750000 0.512758 0.462818 Br\n0.750000 0.012758 0.037182 Br\n0.250000 0.079245 0.296869 Br\n0.250000 0.579245 0.203131 Br\n0.750000 0.920755 0.703131 Br\n0.750000 0.420755 0.796869 Br\n",
"nsites": 40,
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"elements": [
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],
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"density": 2.5950143503456,
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"volume": 1310.1561586877208,
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"formula_full": "Te4 S28 Br8",
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"formula_anonymous": "AB2C7",
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"spacegroup": 62
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{
"id": "mp-7823",
"created_at": "2022-09-04T14:48:10.446032Z",
"structure_string": "V2 Ni1 Se4\n1.0\n1.697752 6.478059 0.000000\n-1.697752 6.478059 0.000000\n0.000000 2.789165 5.529605\nV Ni Se\n2 1 4\ndirect\n0.254744 0.254744 0.687403 V\n0.745256 0.745256 0.312597 V\n0.000000 0.000000 0.000000 Ni\n0.360610 0.360610 0.977861 Se\n0.639390 0.639390 0.022139 Se\n0.104846 0.104846 0.553455 Se\n0.895154 0.895154 0.446545 Se\n",
"nsites": 7,
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],
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"density": 6.504179913499761,
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},
{
"id": "mp-21552",
"created_at": "2022-09-04T14:48:10.381759Z",
"structure_string": "Na8 Ga4 Cu4 F28\n1.0\n3.711319 6.283398 0.000000\n-3.711319 6.283398 0.000000\n0.000000 4.408228 12.233545\nNa Ga Cu F\n8 4 4 28\ndirect\n0.280764 0.214084 0.247474 Na\n0.214084 0.280764 0.747474 Na\n0.269337 0.730663 0.250000 Na\n0.785916 0.719236 0.252526 Na\n0.500000 0.500000 0.500000 Na\n0.719236 0.785915 0.752526 Na\n0.730663 0.269337 0.750000 Na\n0.500000 0.500000 0.000000 Na\n0.255391 0.744609 0.750000 Ga\n0.744609 0.255391 0.250000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.981585 0.114563 0.324801 F\n0.299084 0.951411 0.449265 F\n0.912088 0.506833 0.656420 F\n0.585235 0.099161 0.345448 F\n0.099539 0.719202 0.465206 F\n0.700916 0.048589 0.550735 F\n0.900461 0.280798 0.534794 F\n0.719202 0.099539 0.965206 F\n0.506833 0.912088 0.156420 F\n0.048589 0.700916 0.050735 F\n0.493167 0.087912 0.843580 F\n0.018415 0.885437 0.675199 F\n0.280798 0.900461 0.034794 F\n0.099161 0.585235 0.845448 F\n0.276197 0.315047 0.531841 F\n0.684953 0.723803 0.968159 F\n0.900839 0.414765 0.154552 F\n0.491706 0.600581 0.825930 F\n0.600581 0.491706 0.325930 F\n0.885437 0.018415 0.175199 F\n0.723803 0.684953 0.468159 F\n0.399419 0.508294 0.674070 F\n0.087912 0.493167 0.343580 F\n0.315047 0.276197 0.031841 F\n0.414765 0.900839 0.654552 F\n0.508294 0.399419 0.174070 F\n0.951411 0.299084 0.949265 F\n0.114563 0.981585 0.824801 F\n",
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{
"id": "mp-1202067",
"created_at": "2022-09-04T14:48:10.423164Z",
"structure_string": "Ba16 Mo8 O24 F52\n1.0\n8.734494 0.000000 0.000000\n0.000000 11.802668 0.000000\n0.000000 0.000000 16.298004\nBa Mo O F\n16 8 24 52\ndirect\n0.487254 0.500000 0.816058 Ba\n0.512746 0.500000 0.183942 Ba\n0.012746 0.000000 0.316058 Ba\n0.987254 0.000000 0.683942 Ba\n0.247729 0.320496 0.604001 Ba\n0.752271 0.320496 0.395999 Ba\n0.252271 0.179504 0.104001 Ba\n0.747729 0.179504 0.895999 Ba\n0.752271 0.679504 0.395999 Ba\n0.247729 0.679504 0.604001 Ba\n0.747729 0.820496 0.895999 Ba\n0.252271 0.820496 0.104001 Ba\n0.012417 0.500000 0.814367 Ba\n0.987583 0.500000 0.185633 Ba\n0.487583 0.000000 0.314367 Ba\n0.512417 0.000000 0.685633 Ba\n0.245093 0.159160 0.839258 Mo\n0.754907 0.159160 0.160742 Mo\n0.254907 0.340840 0.339258 Mo\n0.745093 0.340840 0.660742 Mo\n0.754907 0.840840 0.160742 Mo\n0.245093 0.840840 0.839258 Mo\n0.745093 0.659160 0.660742 Mo\n0.254907 0.659160 0.339258 Mo\n0.752123 0.000000 0.548993 O\n0.247877 0.000000 0.451007 O\n0.747877 0.500000 0.048993 O\n0.252123 0.500000 0.951007 O\n0.045136 0.149612 0.825049 O\n0.954864 0.149612 0.174951 O\n0.454864 0.350388 0.325049 O\n0.545136 0.350388 0.674951 O\n0.954864 0.850388 0.174951 O\n0.045136 0.850388 0.825049 O\n0.545136 0.649612 0.674951 O\n0.454864 0.649612 0.325049 O\n0.265841 0.191195 0.941666 O\n0.734159 0.191195 0.058334 O\n0.234159 0.308805 0.441666 O\n0.765841 0.308805 0.558334 O\n0.734159 0.808805 0.058334 O\n0.265841 0.808805 0.941666 O\n0.765841 0.691195 0.558334 O\n0.234159 0.691195 0.441666 O\n0.285590 0.000000 0.839975 O\n0.714410 0.000000 0.160025 O\n0.214410 0.500000 0.339975 O\n0.785590 0.500000 0.660025 O\n0.747985 0.000000 0.795449 F\n0.252015 0.000000 0.204551 F\n0.752015 0.500000 0.295449 F\n0.247985 0.500000 0.704551 F\n0.253637 0.323968 0.805827 F\n0.746363 0.323968 0.194173 F\n0.246363 0.176032 0.305827 F\n0.753637 0.176032 0.694173 F\n0.746363 0.676032 0.194173 F\n0.253637 0.676032 0.805827 F\n0.753637 0.823968 0.694173 F\n0.246363 0.823968 0.305827 F\n0.250273 0.130414 0.702660 F\n0.749727 0.130414 0.297340 F\n0.249727 0.369586 0.202660 F\n0.750273 0.369586 0.797340 F\n0.749727 0.869586 0.297340 F\n0.250273 0.869586 0.702660 F\n0.750273 0.630414 0.797340 F\n0.249727 0.630414 0.202660 F\n0.974315 0.328638 0.692722 F\n0.025685 0.328638 0.307278 F\n0.525685 0.171362 0.192722 F\n0.474315 0.171362 0.807278 F\n0.025685 0.671362 0.307278 F\n0.974315 0.671362 0.692722 F\n0.474315 0.828638 0.807278 F\n0.525685 0.828638 0.192722 F\n0.453575 0.145089 0.556956 F\n0.546425 0.145089 0.443044 F\n0.046425 0.354911 0.056956 F\n0.953575 0.354911 0.943044 F\n0.546425 0.854911 0.443044 F\n0.453575 0.854911 0.556956 F\n0.953575 0.645089 0.943044 F\n0.046425 0.645089 0.056956 F\n0.052227 0.140345 0.555133 F\n0.947773 0.140345 0.444867 F\n0.447773 0.359655 0.055133 F\n0.552227 0.359655 0.944867 F\n0.947773 0.859655 0.444867 F\n0.052227 0.859655 0.555133 F\n0.552227 0.640345 0.944867 F\n0.447773 0.640345 0.055133 F\n0.408244 0.500000 0.536368 F\n0.591756 0.500000 0.463632 F\n0.091756 0.000000 0.036368 F\n0.908244 0.000000 0.963632 F\n0.570562 0.000000 0.951422 F\n0.429438 0.000000 0.048578 F\n0.929438 0.500000 0.451422 F\n0.070562 0.500000 0.548578 F\n",
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{
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{
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}