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{
"id": "mp-40793",
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"structure_string": "Si6 N8\n1.0\n3.103075 -5.374683 0.000000\n3.103075 5.374683 0.000000\n0.000000 0.000000 3.976912\nSi N\n6 8\ndirect\n0.170822 0.829178 0.250000 Si\n0.170822 0.341643 0.250000 Si\n0.658357 0.829178 0.250000 Si\n0.341643 0.170822 0.750000 Si\n0.829178 0.658357 0.750000 Si\n0.829178 0.170822 0.750000 Si\n0.157025 0.842975 0.750000 N\n0.333333 0.666667 0.250000 N\n0.157025 0.314050 0.750000 N\n0.685950 0.842975 0.750000 N\n0.314050 0.157025 0.250000 N\n0.842975 0.685950 0.250000 N\n0.666667 0.333333 0.750000 N\n0.842975 0.157025 0.250000 N\n",
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{
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{
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"created_at": "2022-09-04T14:46:14.131965Z",
"structure_string": "Ba2 Ga2 O5\n1.0\n3.998199 0.000000 0.000000\n0.000000 3.998199 0.000000\n0.000000 0.000000 8.298288\nBa Ga O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.271258 Ga\n0.500000 0.500000 0.728742 Ga\n0.500000 0.000000 0.229651 O\n0.500000 0.000000 0.770349 O\n0.000000 0.500000 0.229651 O\n0.000000 0.500000 0.770349 O\n0.500000 0.500000 0.500000 O\n",
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},
{
"id": "mp-1187817",
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"structure_string": "U2 Tc6\n1.0\n6.001236 0.000000 0.000000\n-3.000619 5.197224 0.000000\n0.000000 0.000000 4.252864\nU Tc\n2 6\ndirect\n0.333333 0.666666 0.750000 U\n0.666665 0.333331 0.250001 U\n0.171430 0.342861 0.250001 Tc\n0.657140 0.828569 0.250001 Tc\n0.171429 0.828569 0.250001 Tc\n0.828569 0.657139 0.750000 Tc\n0.342861 0.171430 0.750000 Tc\n0.828570 0.171430 0.750000 Tc\n",
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{
"id": "mp-1077553",
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"structure_string": "Sr2 B1 Br1 N2\n1.0\n8.976096 -2.074599 0.000000\n8.976096 2.074599 0.000000\n8.496605 0.000000 3.561176\nSr B Br N\n2 1 1 2\ndirect\n0.752165 0.752165 0.752165 Sr\n0.247835 0.247835 0.247835 Sr\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Br\n0.550578 0.550578 0.550578 N\n0.449422 0.449422 0.449422 N\n",
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},
{
"id": "mp-1221820",
"created_at": "2022-09-04T14:39:24.895472Z",
"structure_string": "Mn2 In1 Sn1 Pd4\n1.0\n7.557341 -2.268046 0.000000\n7.557341 2.268046 0.000000\n6.876674 0.000000 3.868952\nMn In Sn Pd\n2 1 1 4\ndirect\n0.250353 0.250353 0.250353 Mn\n0.749647 0.749647 0.749647 Mn\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sn\n0.624736 0.624736 0.624736 Pd\n0.125216 0.125216 0.125216 Pd\n0.874784 0.874784 0.874784 Pd\n0.375264 0.375264 0.375264 Pd\n",
"nsites": 8,
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"density": 9.628945087448095,
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"formula_full": "Mn2 In1 Sn1 Pd4",
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{
"id": "mp-1184666",
"created_at": "2022-09-04T14:45:57.149658Z",
"structure_string": "Hf2 P6\n1.0\n2.787346 -4.827825 0.000000\n2.787346 4.827825 0.000000\n0.000000 0.000000 4.927988\nHf P\n2 6\ndirect\n0.333333 0.666667 0.750000 Hf\n0.666667 0.333333 0.250000 Hf\n0.190875 0.381750 0.250000 P\n0.618250 0.809125 0.250000 P\n0.190875 0.809125 0.250000 P\n0.809125 0.618250 0.750000 P\n0.381750 0.190875 0.750000 P\n0.809125 0.190875 0.750000 P\n",
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{
"id": "mp-1205575",
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"structure_string": "Sr2 Sc1 Os1 O6\n1.0\n0.000000 4.047555 4.047555\n4.047555 0.000000 4.047555\n4.047555 4.047555 0.000000\nSr Sc Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Os\n0.756541 0.243459 0.243459 O\n0.243459 0.756541 0.756541 O\n0.243459 0.756541 0.243459 O\n0.756541 0.243459 0.756541 O\n0.243459 0.243459 0.756541 O\n0.756541 0.756541 0.243459 O\n",
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{
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"structure_string": "Tl3 Br1\n1.0\n-2.386343 2.386343 5.821978\n2.386343 -2.386343 5.821978\n2.386343 2.386343 -5.821978\nTl Br\n3 1\ndirect\n0.750000 0.250000 0.500000 Tl\n0.250000 0.750000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Dy2 Cu2 Se2 O2\n1.0\n3.888007 0.000000 0.000000\n0.000000 3.888007 0.000000\n0.000000 0.000000 8.772606\nDy Cu Se O\n2 2 2 2\ndirect\n0.000000 0.500000 0.871536 Dy\n0.500000 0.000000 0.128464 Dy\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.683149 Se\n0.000000 0.500000 0.316851 Se\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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{
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{
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"structure_string": "Mg4 P2 N6\n1.0\n2.846738 -4.891862 0.000000\n2.846738 4.891862 0.000000\n0.000000 0.000000 4.761235\nMg P N\n4 2 6\ndirect\n0.502914 0.829198 0.472268 Mg\n0.829198 0.502914 0.472268 Mg\n0.497086 0.170802 0.972268 Mg\n0.170802 0.497086 0.972268 Mg\n0.161663 0.161663 0.491315 P\n0.838337 0.838337 0.991315 P\n0.890487 0.890487 0.344570 N\n0.109513 0.109513 0.844570 N\n0.443366 0.162451 0.419739 N\n0.556634 0.837549 0.919739 N\n0.162451 0.443366 0.419739 N\n0.837549 0.556634 0.919739 N\n",
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]
}