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{
"id": "mp-1480",
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"structure_string": "Ba2 Si12\n1.0\n2.252109 -5.238193 0.000000\n2.252109 5.238193 0.000000\n0.000000 0.000000 12.007895\nBa Si\n2 12\ndirect\n0.279531 0.720469 0.250000 Ba\n0.720469 0.279531 0.750000 Ba\n0.978527 0.021473 0.097769 Si\n0.021473 0.978527 0.902231 Si\n0.754660 0.245340 0.463036 Si\n0.245340 0.754660 0.536964 Si\n0.245340 0.754660 0.963036 Si\n0.754660 0.245340 0.036964 Si\n0.437581 0.562419 0.646985 Si\n0.562419 0.437581 0.353015 Si\n0.562419 0.437581 0.146985 Si\n0.437581 0.562419 0.853015 Si\n0.978527 0.021473 0.402231 Si\n0.021473 0.978527 0.597769 Si\n",
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{
"id": "mp-1206230",
"created_at": "2022-09-04T14:41:01.604915Z",
"structure_string": "Rb2 Tl2 O2\n1.0\n1.891300 6.839558 0.000000\n-1.891300 6.839558 0.000000\n0.000000 1.904435 6.265490\nRb Tl O\n2 2 2\ndirect\n0.873900 0.873900 0.344670 Rb\n0.126100 0.126100 0.655330 Rb\n0.644739 0.644739 0.145521 Tl\n0.355261 0.355261 0.854479 Tl\n0.249340 0.249340 0.212046 O\n0.750660 0.750660 0.787954 O\n",
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{
"id": "mp-542598",
"created_at": "2022-09-04T14:41:00.819077Z",
"structure_string": "Li88 Si20\n1.0\n0.000000 9.290618 9.290618\n9.290618 0.000000 9.290618\n9.290618 9.290618 0.000000\nLi Si\n88 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.826800 0.826800 0.826800 Li\n0.826800 0.519599 0.826800 Li\n0.826800 0.826800 0.519599 Li\n0.519599 0.826800 0.826800 Li\n0.172337 0.827663 0.172337 Li\n0.172337 0.172337 0.827663 Li\n0.827663 0.172337 0.172337 Li\n0.172337 0.827663 0.827663 Li\n0.827663 0.827663 0.172337 Li\n0.827663 0.172337 0.827663 Li\n0.583069 0.916931 0.583069 Li\n0.583069 0.583069 0.916931 Li\n0.916931 0.583069 0.583069 Li\n0.583069 0.916931 0.916931 Li\n0.916931 0.916931 0.583069 Li\n0.916931 0.583069 0.916931 Li\n0.005876 0.319445 0.668803 Li\n0.668803 0.005876 0.319445 Li\n0.319445 0.668803 0.005876 Li\n0.005876 0.005876 0.319445 Li\n0.005876 0.668803 0.005876 Li\n0.319445 0.005876 0.668803 Li\n0.005876 0.005876 0.668803 Li\n0.005876 0.319445 0.005876 Li\n0.668803 0.319445 0.005876 Li\n0.319445 0.005876 0.005876 Li\n0.668803 0.005876 0.005876 Li\n0.005876 0.668803 0.319445 Li\n0.816366 0.506412 0.506412 Li\n0.506412 0.816366 0.506412 Li\n0.506412 0.506412 0.816366 Li\n0.816366 0.170810 0.506412 Li\n0.816366 0.506412 0.170810 Li\n0.506412 0.170810 0.506412 Li\n0.170810 0.816366 0.506412 Li\n0.170810 0.506412 0.816366 Li\n0.506412 0.506412 0.170810 Li\n0.506412 0.816366 0.170810 Li\n0.506412 0.170810 0.816366 Li\n0.170810 0.506412 0.506412 Li\n0.258503 0.922629 0.258503 Li\n0.258503 0.258503 0.922629 Li\n0.922629 0.258503 0.258503 Li\n0.258503 0.560364 0.922629 Li\n0.258503 0.258503 0.560364 Li\n0.922629 0.560364 0.258503 Li\n0.560364 0.258503 0.258503 Li\n0.560364 0.922629 0.258503 Li\n0.258503 0.922629 0.560364 Li\n0.922629 0.258503 0.560364 Li\n0.258503 0.560364 0.258503 Li\n0.560364 0.258503 0.922629 Li\n0.749894 0.421433 0.749894 Li\n0.749894 0.749894 0.421433 Li\n0.421433 0.749894 0.749894 Li\n0.749894 0.078779 0.421433 Li\n0.749894 0.749894 0.078779 Li\n0.421433 0.078779 0.749894 Li\n0.078779 0.749894 0.749894 Li\n0.078779 0.421433 0.749894 Li\n0.749894 0.421433 0.078779 Li\n0.421433 0.749894 0.078779 Li\n0.749894 0.078779 0.749894 Li\n0.078779 0.749894 0.421433 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.071485 0.071485 0.071485 Li\n0.071485 0.785544 0.071485 Li\n0.071485 0.071485 0.785544 Li\n0.785544 0.071485 0.071485 Li\n0.167930 0.167930 0.167930 Li\n0.167930 0.496211 0.167930 Li\n0.167930 0.167930 0.496211 Li\n0.496211 0.167930 0.167930 Li\n0.324941 0.324942 0.324941 Li\n0.324941 0.025176 0.324941 Li\n0.324941 0.324942 0.025176 Li\n0.025176 0.324942 0.324941 Li\n0.423264 0.423264 0.423264 Li\n0.423264 0.730207 0.423264 Li\n0.423264 0.423264 0.730207 Li\n0.730207 0.423264 0.423264 Li\n0.582820 0.582820 0.582820 Li\n0.582820 0.251540 0.582820 Li\n0.582820 0.582820 0.251540 Li\n0.251540 0.582820 0.582820 Li\n0.911545 0.911545 0.911545 Si\n0.911545 0.265366 0.911545 Si\n0.911545 0.911545 0.265366 Si\n0.265366 0.911545 0.911545 Si\n0.666669 0.666669 0.666669 Si\n0.666669 0.999994 0.666669 Si\n0.666669 0.666669 0.999994 Si\n0.999994 0.666669 0.666669 Si\n0.324177 0.675823 0.324177 Si\n0.324177 0.324177 0.675823 Si\n0.675823 0.324177 0.324177 Si\n0.324177 0.675823 0.675823 Si\n0.675823 0.675823 0.324177 Si\n0.675823 0.324177 0.675823 Si\n0.074092 0.425908 0.074092 Si\n0.074092 0.074092 0.425908 Si\n0.425908 0.074092 0.074092 Si\n0.074092 0.425908 0.425908 Si\n0.425908 0.425908 0.074092 Si\n0.425908 0.074092 0.425908 Si\n",
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"elements": [
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"density": 1.2139612086052258,
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"volume": 1603.850214891716,
"volume_molar": 8.94315902966126,
"formula_full": "Li88 Si20",
"formula_reduced": "Li22Si5",
"formula_anonymous": "A5B22",
"energy": -296.85257376,
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"spacegroup": 216
},
{
"id": "mp-760507",
"created_at": "2022-09-04T14:41:00.851991Z",
"structure_string": "As2 Rh2 O8\n1.0\n-3.226453 3.226453 3.027711\n3.226453 -3.226453 3.027711\n3.226453 3.226453 -3.027711\nAs Rh O\n2 2 8\ndirect\n0.754347 0.254347 0.500000 As\n0.504347 0.504347 0.000000 As\n0.244256 0.744256 0.500000 Rh\n0.994256 0.994256 0.000000 Rh\n0.457024 0.265532 0.191492 O\n0.923967 0.735167 0.188800 O\n0.515532 0.824040 0.308508 O\n0.985167 0.296366 0.311200 O\n0.985167 0.673967 0.688800 O\n0.515532 0.207024 0.691492 O\n0.546366 0.735167 0.811200 O\n0.074040 0.265532 0.808508 O\n",
"nsites": 12,
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"density": 6.370223276248499,
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"volume": 126.07387345936424,
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"formula_full": "As2 Rh2 O8",
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"spacegroup": 109
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{
"id": "mp-1210342",
"created_at": "2022-09-04T14:41:01.478943Z",
"structure_string": "Th6 In26 Ni8\n1.0\n9.657443 0.000000 0.000000\n0.000000 9.657443 0.000000\n0.000000 0.000000 9.657443\nTh In Ni\n6 26 8\ndirect\n0.250000 0.000000 0.500000 Th\n0.750000 0.000000 0.500000 Th\n0.500000 0.250000 0.000000 Th\n0.500000 0.750000 0.000000 Th\n0.000000 0.500000 0.250000 Th\n0.000000 0.500000 0.750000 Th\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.155463 0.304505 In\n0.000000 0.844537 0.695495 In\n0.000000 0.844537 0.304505 In\n0.000000 0.155463 0.695495 In\n0.304505 0.000000 0.155463 In\n0.655463 0.500000 0.195495 In\n0.695495 0.000000 0.844537 In\n0.344537 0.500000 0.804505 In\n0.304505 0.000000 0.844537 In\n0.344537 0.500000 0.195495 In\n0.695495 0.000000 0.155463 In\n0.655463 0.500000 0.804505 In\n0.155463 0.304505 0.000000 In\n0.500000 0.804505 0.344537 In\n0.844537 0.695495 0.000000 In\n0.500000 0.195495 0.655463 In\n0.155463 0.695495 0.000000 In\n0.500000 0.195495 0.344537 In\n0.844537 0.304505 0.000000 In\n0.500000 0.804505 0.655463 In\n0.195495 0.655463 0.500000 In\n0.804505 0.344537 0.500000 In\n0.195495 0.344537 0.500000 In\n0.804505 0.655463 0.500000 In\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.750000 0.750000 0.250000 Ni\n0.750000 0.250000 0.750000 Ni\n0.250000 0.250000 0.750000 Ni\n0.250000 0.750000 0.250000 Ni\n0.250000 0.750000 0.750000 Ni\n0.750000 0.250000 0.250000 Ni\n",
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"spacegroup": 223
},
{
"id": "mp-1096200",
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"structure_string": "Ba2 Hg1 Pd1\n1.0\n-6.330984 6.524784 9.746266\n6.330984 -6.524784 9.746266\n6.330984 6.524784 -9.746266\nBa Hg Pd\n2 1 1\ndirect\n0.000000 0.224251 0.224251 Ba\n0.000000 0.775749 0.775749 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Pt8 I32\n1.0\n6.990140 0.000000 0.000000\n0.000000 13.428386 0.000000\n0.000000 0.000000 16.008090\nPt I\n8 32\ndirect\n0.594712 0.661569 0.688641 Pt\n0.094712 0.838431 0.311359 Pt\n0.905288 0.161569 0.688641 Pt\n0.405288 0.338431 0.311359 Pt\n0.405288 0.161569 0.811359 Pt\n0.594712 0.838431 0.188641 Pt\n0.905288 0.338431 0.188641 Pt\n0.094712 0.661569 0.811359 Pt\n0.218330 0.452945 0.187041 I\n0.746659 0.451611 0.068575 I\n0.585741 0.271672 0.692851 I\n0.753341 0.548389 0.568575 I\n0.281670 0.952945 0.187041 I\n0.058566 0.216973 0.070239 I\n0.441434 0.783027 0.570239 I\n0.253341 0.548389 0.931425 I\n0.058566 0.283027 0.570239 I\n0.914259 0.728328 0.192851 I\n0.558566 0.283027 0.929761 I\n0.441434 0.716973 0.070239 I\n0.246659 0.451611 0.431425 I\n0.414259 0.728328 0.307149 I\n0.246659 0.048389 0.931425 I\n0.914259 0.771672 0.692851 I\n0.585741 0.228328 0.192851 I\n0.558566 0.216973 0.429761 I\n0.085741 0.228328 0.307149 I\n0.218330 0.047055 0.687041 I\n0.718330 0.452945 0.312959 I\n0.746659 0.048389 0.568575 I\n0.781670 0.547055 0.812959 I\n0.941434 0.783027 0.929761 I\n0.281670 0.547055 0.687041 I\n0.253341 0.951611 0.431425 I\n0.414259 0.771672 0.807149 I\n0.718330 0.047055 0.812959 I\n0.941434 0.716973 0.429761 I\n0.085741 0.271672 0.807149 I\n0.753341 0.951611 0.068575 I\n0.781670 0.952945 0.312959 I\n",
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{
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"structure_string": "Sr3 Ga4 Ir4\n1.0\n-3.912202 3.912202 3.912202\n3.912202 -3.912202 3.912202\n3.912202 3.912202 -3.912202\nSr Ga Ir\n3 4 4\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.614811 0.614811 0.614811 Ga\n0.000000 0.000000 0.385189 Ga\n0.000000 0.385189 0.000000 Ga\n0.385189 0.000000 0.000000 Ga\n0.253928 0.253928 0.253928 Ir\n0.000000 0.000000 0.746072 Ir\n0.000000 0.746072 0.000000 Ir\n0.746072 0.000000 0.000000 Ir\n",
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"formula_full": "Sr3 Ga4 Ir4",
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{
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"structure_string": "Yb2 U1 S3 O2\n1.0\n-1.890823 1.890823 10.245928\n1.890823 -1.890823 10.245928\n1.890823 1.890823 -10.245928\nYb U S O\n2 1 3 2\ndirect\n0.494918 0.494918 0.000000 Yb\n0.813470 0.813470 0.000000 Yb\n0.188618 0.188618 0.000000 U\n0.627965 0.627965 0.000000 S\n0.362839 0.362839 0.000000 S\n0.035379 0.035379 0.000000 S\n0.738405 0.238405 0.500000 O\n0.238405 0.738405 0.500000 O\n",
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{
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{
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