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{
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"results": [
{
"id": "mp-862662",
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"structure_string": "La1 Mg1 Zn2\n1.0\n0.000000 3.535850 3.535850\n3.535850 0.000000 3.535850\n3.535850 3.535850 0.000000\nLa Mg Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
"id": "mp-30929",
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"structure_string": "Hg16 As8 O28\n1.0\n7.539447 0.000000 0.000000\n0.000000 10.274889 0.000000\n0.000000 0.000000 12.485596\nHg As O\n16 8 28\ndirect\n0.053789 0.104633 0.451155 Hg\n0.553789 0.395367 0.548845 Hg\n0.446211 0.604633 0.048845 Hg\n0.946211 0.895367 0.951155 Hg\n0.946211 0.895367 0.548845 Hg\n0.446211 0.604633 0.451155 Hg\n0.553789 0.395367 0.951155 Hg\n0.053789 0.104633 0.048845 Hg\n0.558090 0.010131 0.402195 Hg\n0.058090 0.489869 0.597805 Hg\n0.941910 0.510131 0.097805 Hg\n0.441910 0.989869 0.902195 Hg\n0.441910 0.989869 0.597805 Hg\n0.941910 0.510131 0.402195 Hg\n0.058090 0.489869 0.902195 Hg\n0.558090 0.010131 0.097805 Hg\n0.318574 0.696766 0.750000 As\n0.818574 0.803234 0.250000 As\n0.181426 0.196766 0.750000 As\n0.681426 0.303234 0.250000 As\n0.722778 0.761933 0.750000 As\n0.222778 0.738067 0.250000 As\n0.777222 0.261933 0.750000 As\n0.277222 0.238067 0.250000 As\n0.214681 0.545369 0.750000 O\n0.714681 0.954631 0.250000 O\n0.285319 0.045369 0.750000 O\n0.785319 0.454631 0.250000 O\n0.551028 0.641882 0.750000 O\n0.051028 0.858118 0.250000 O\n0.948972 0.141882 0.750000 O\n0.448972 0.358118 0.250000 O\n0.634759 0.914786 0.750000 O\n0.134759 0.585214 0.250000 O\n0.865241 0.414786 0.750000 O\n0.365241 0.085214 0.250000 O\n0.156684 0.270955 0.364265 O\n0.656684 0.229045 0.635735 O\n0.343316 0.770955 0.135735 O\n0.843316 0.729045 0.864265 O\n0.843316 0.729045 0.635735 O\n0.343316 0.770955 0.364265 O\n0.656684 0.229045 0.864265 O\n0.156684 0.270955 0.135735 O\n0.213641 0.271867 0.869487 O\n0.713641 0.228133 0.130513 O\n0.286359 0.771867 0.630513 O\n0.786359 0.728133 0.369487 O\n0.213641 0.271867 0.630513 O\n0.713641 0.228133 0.369487 O\n0.286359 0.771867 0.869487 O\n0.786359 0.728133 0.130513 O\n",
"nsites": 52,
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"chemical_system": "As-Hg-O",
"density": 7.308125985337499,
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"formula_full": "Hg16 As8 O28",
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"energy": -241.16872855,
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"updated_at": "2021-11-28T01:36:32.627000Z",
"spacegroup": 62
},
{
"id": "mp-505577",
"created_at": "2022-09-04T14:44:27.816612Z",
"structure_string": "Dy6 Ge10\n1.0\n0.000000 6.884833 8.700908\n2.888962 0.000000 8.700908\n2.888962 6.884833 0.000000\nDy Ge\n6 10\ndirect\n0.996237 0.003763 0.996237 Dy\n0.246237 0.253763 0.246237 Dy\n0.939527 0.895641 0.567536 Dy\n0.567536 0.597296 0.939527 Dy\n0.652704 0.682464 0.354359 Dy\n0.354359 0.310473 0.652704 Dy\n0.441541 0.558459 0.441541 Ge\n0.691541 0.808459 0.691541 Ge\n0.402891 0.470449 0.896523 Ge\n0.896523 0.230138 0.402891 Ge\n0.019862 0.353477 0.779551 Ge\n0.779551 0.847109 0.019862 Ge\n0.500421 0.325026 0.165182 Ge\n0.165182 0.009372 0.500421 Ge\n0.240628 0.084818 0.924974 Ge\n0.924974 0.749579 0.240628 Ge\n",
"nsites": 16,
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"chemical_system": "Dy-Ge",
"density": 8.162547355704236,
"density_atomic": 0.04622641039445536,
"volume": 346.1224841701991,
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"formula_full": "Dy6 Ge10",
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"updated_at": "2021-11-28T01:36:36.186000Z",
"spacegroup": 43
},
{
"id": "mp-1218999",
"created_at": "2022-09-04T14:44:27.846412Z",
"structure_string": "Sn1 As1 Pd6\n1.0\n7.427669 -2.254653 0.000000\n7.427669 2.254653 0.000000\n6.743274 0.000000 3.844735\nSn As Pd\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 As\n0.630324 0.630324 0.630324 Pd\n0.118459 0.118459 0.118459 Pd\n0.881541 0.881541 0.881541 Pd\n0.369676 0.369676 0.369676 Pd\n0.244937 0.244937 0.244937 Pd\n0.755063 0.755063 0.755063 Pd\n",
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"density": 10.730572407062784,
"density_atomic": 0.06212427398376522,
"volume": 128.77414071817756,
"volume_molar": 9.693700020661412,
"formula_full": "Sn1 As1 Pd6",
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"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:36:45.936000Z",
"spacegroup": 166
},
{
"id": "mp-28535",
"created_at": "2022-09-04T14:44:27.871538Z",
"structure_string": "Ca4 Se6 O16\n1.0\n5.603549 0.000000 0.000000\n-1.077795 8.330780 0.000000\n-0.900129 -0.551470 8.812524\nCa Se O\n4 6 16\ndirect\n0.291600 0.161786 0.961491 Ca\n0.708400 0.838214 0.038509 Ca\n0.241693 0.955716 0.348234 Ca\n0.758307 0.044284 0.651766 Ca\n0.824916 0.188781 0.238204 Se\n0.175084 0.811219 0.761796 Se\n0.229364 0.556637 0.182647 Se\n0.770636 0.443363 0.817353 Se\n0.274761 0.319921 0.578801 Se\n0.725240 0.680079 0.421199 Se\n0.550112 0.819287 0.476550 O\n0.449888 0.180713 0.523450 O\n0.871436 0.765203 0.279079 O\n0.128564 0.234797 0.720921 O\n0.494531 0.477204 0.685506 O\n0.505469 0.522796 0.314494 O\n0.677746 0.255161 0.870368 O\n0.322254 0.744839 0.129632 O\n0.746565 0.574693 0.960842 O\n0.253435 0.425307 0.039158 O\n0.086337 0.870472 0.584292 O\n0.913663 0.129528 0.415708 O\n0.452228 0.926887 0.821872 O\n0.547772 0.073113 0.178128 O\n0.989615 0.920366 0.860059 O\n0.010385 0.079634 0.139941 O\n",
"nsites": 26,
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"elements": [
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"O"
],
"chemical_system": "Ca-O-Se",
"density": 3.5926954173025534,
"density_atomic": 0.0632010357335928,
"volume": 411.3856631969783,
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"formula_full": "Ca4 Se6 O16",
"formula_reduced": "Ca2Se3O8",
"formula_anonymous": "A2B3C8",
"energy": -162.05501368,
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"spacegroup": 2
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{
"id": "mp-1196890",
"created_at": "2022-09-04T14:44:27.850359Z",
"structure_string": "Sc8 Rh8 O24\n1.0\n7.531681 0.000000 0.000000\n0.000000 7.560377 0.000000\n0.000000 7.122611 7.601582\nSc Rh O\n8 8 24\ndirect\n0.740481 0.568570 0.725276 Sc\n0.759519 0.568570 0.225276 Sc\n0.259519 0.431430 0.274724 Sc\n0.240481 0.431430 0.774724 Sc\n0.732850 0.064643 0.210462 Sc\n0.767150 0.064643 0.710462 Sc\n0.267150 0.935357 0.789538 Sc\n0.232850 0.935357 0.289538 Sc\n0.500000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.963488 0.349722 0.890362 O\n0.536512 0.349722 0.390362 O\n0.036512 0.650278 0.109638 O\n0.463488 0.650278 0.609638 O\n0.046062 0.145417 0.746592 O\n0.453938 0.145417 0.246592 O\n0.953938 0.854583 0.253408 O\n0.546062 0.854583 0.753408 O\n0.751735 0.925237 0.464103 O\n0.748265 0.925237 0.964103 O\n0.248265 0.074763 0.535897 O\n0.251735 0.074763 0.035897 O\n0.099661 0.214045 0.246295 O\n0.400339 0.214045 0.746295 O\n0.900339 0.785955 0.753705 O\n0.599661 0.785955 0.253705 O\n0.750081 0.423877 0.611930 O\n0.749919 0.423877 0.111930 O\n0.249919 0.576123 0.388070 O\n0.250081 0.576123 0.888070 O\n0.897619 0.292806 0.453926 O\n0.602381 0.292806 0.953926 O\n0.102381 0.707194 0.546074 O\n0.397619 0.707194 0.046074 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 6.010970822719775,
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"volume": 432.8519261026267,
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"formula_full": "Sc8 Rh8 O24",
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{
"id": "mp-1215449",
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"structure_string": "Yb1 Zn1 In1\n1.0\n2.371832 -4.108133 0.000000\n2.371832 4.108133 0.000000\n0.000000 0.000000 3.669290\nYb Zn In\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Yb\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.500000 In\n",
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{
"id": "mp-9807",
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"structure_string": "K2 Dy2 C4 O12\n1.0\n4.816254 4.248482 0.000000\n-4.816254 4.248482 0.000000\n0.000000 2.470513 6.624107\nK Dy C O\n2 2 4 12\ndirect\n0.880609 0.119391 0.750000 K\n0.119391 0.880609 0.250000 K\n0.407576 0.592424 0.750000 Dy\n0.592424 0.407576 0.250000 Dy\n0.603344 0.856126 0.251209 C\n0.143874 0.396656 0.248791 C\n0.396656 0.143874 0.748791 C\n0.856126 0.603344 0.751209 C\n0.056275 0.592092 0.734066 O\n0.407908 0.943725 0.765934 O\n0.943725 0.407908 0.265934 O\n0.592092 0.056275 0.234066 O\n0.792273 0.742555 0.623014 O\n0.257445 0.207727 0.876986 O\n0.207727 0.257445 0.376986 O\n0.742555 0.792273 0.123014 O\n0.699828 0.465911 0.898890 O\n0.534089 0.300172 0.601110 O\n0.300172 0.534089 0.101110 O\n0.465911 0.699828 0.398890 O\n",
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{
"id": "mp-1207519",
"created_at": "2022-09-04T14:44:28.680243Z",
"structure_string": "Yb1 Ni4 Sn1\n1.0\n0.000000 3.472866 3.472866\n3.472866 0.000000 3.472866\n3.472866 3.472866 0.000000\nYb Ni Sn\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.625492 0.625492 0.625492 Ni\n0.625492 0.625492 0.123523 Ni\n0.625492 0.123523 0.625492 Ni\n0.123523 0.625492 0.625492 Ni\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "mp-28763",
"created_at": "2022-09-04T14:44:27.932935Z",
"structure_string": "Ca16 As16 Pd16\n1.0\n7.231392 0.000000 0.000000\n0.000000 8.757336 0.000000\n0.000000 0.000000 16.756952\nCa As Pd\n16 16 16\ndirect\n0.766706 0.009192 0.188144 Ca\n0.266706 0.490808 0.311856 Ca\n0.233294 0.509192 0.811856 Ca\n0.733294 0.990808 0.688144 Ca\n0.233294 0.990808 0.811856 Ca\n0.733294 0.509192 0.688144 Ca\n0.766706 0.490808 0.188144 Ca\n0.266706 0.009192 0.311856 Ca\n0.250653 0.022064 0.061018 Ca\n0.750653 0.477936 0.438982 Ca\n0.749347 0.522064 0.938982 Ca\n0.249347 0.977936 0.561018 Ca\n0.749347 0.977936 0.938982 Ca\n0.249347 0.522064 0.561018 Ca\n0.250653 0.477936 0.061018 Ca\n0.750653 0.022064 0.438982 Ca\n0.569606 0.750000 0.288755 As\n0.930394 0.250000 0.788755 As\n0.430394 0.250000 0.711245 As\n0.577610 0.750000 0.570609 As\n0.077610 0.750000 0.929391 As\n0.422390 0.250000 0.429391 As\n0.922390 0.250000 0.070609 As\n0.644038 0.750000 0.067223 As\n0.069606 0.750000 0.211245 As\n0.144038 0.750000 0.432777 As\n0.355962 0.250000 0.932777 As\n0.855962 0.250000 0.567223 As\n0.049592 0.750000 0.677026 As\n0.549592 0.750000 0.822974 As\n0.950408 0.250000 0.322974 As\n0.450408 0.250000 0.177026 As\n0.391552 0.750000 0.165513 Pd\n0.891552 0.750000 0.334487 Pd\n0.608448 0.250000 0.834487 Pd\n0.108448 0.250000 0.665513 Pd\n0.986538 0.750000 0.071144 Pd\n0.486538 0.750000 0.428856 Pd\n0.013462 0.250000 0.928856 Pd\n0.390160 0.750000 0.692276 Pd\n0.890160 0.750000 0.807724 Pd\n0.609840 0.250000 0.307724 Pd\n0.109840 0.250000 0.192276 Pd\n0.906562 0.750000 0.537742 Pd\n0.406562 0.750000 0.962258 Pd\n0.093438 0.250000 0.462258 Pd\n0.593438 0.250000 0.037742 Pd\n0.513462 0.250000 0.571144 Pd\n",
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"elements": [
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