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{
"id": "jvasp-56172",
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"updated_at": "2022-09-04T14:38:36.367030Z",
"structure_string": "Mg6 Si16 Ir6\n1.0\n7.544074 -0.000000 4.355573\n2.514691 7.112621 4.355573\n-0.000000 -0.000000 8.711147\nMg Si Ir\n6 16 6\ndirect\n0.349994 0.349994 0.349994 Mg\n0.349994 0.950017 0.349994 Mg\n0.950016 0.349994 0.349994 Mg\n0.000000 0.000000 0.000000 Mg\n0.349994 0.349994 0.950017 Mg\n0.750000 0.750000 0.750000 Mg\n0.574207 0.574207 0.574208 Si\n0.667419 0.389140 0.971720 Si\n0.574207 0.277378 0.574208 Si\n0.389140 0.971720 0.971720 Si\n0.389140 0.971720 0.667419 Si\n0.971720 0.667419 0.389140 Si\n0.971720 0.667419 0.971720 Si\n0.277378 0.574207 0.574208 Si\n0.971720 0.389140 0.667419 Si\n0.971720 0.971720 0.667419 Si\n0.667419 0.971720 0.389140 Si\n0.667419 0.971720 0.971720 Si\n0.971720 0.389140 0.971720 Si\n0.389140 0.667419 0.971720 Si\n0.574207 0.574207 0.277378 Si\n0.971720 0.971720 0.389140 Si\n0.254955 0.745045 0.745045 Ir\n0.254955 0.745045 0.254955 Ir\n0.745044 0.745045 0.254955 Ir\n0.254955 0.254955 0.745045 Ir\n0.745044 0.254955 0.745045 Ir\n0.745044 0.254955 0.254955 Ir\n",
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{
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{
"id": "jvasp-119631",
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"updated_at": "2022-09-04T14:38:36.364736Z",
"structure_string": "Hf18 W8 S2\n1.0\n8.680610 0.000000 0.000000\n-4.340305 7.517628 0.000000\n-0.000000 -0.000000 8.553324\nHf W S\n18 8 2\ndirect\n0.196184 0.803817 0.448623 Hf\n0.089326 0.544663 0.750000 Hf\n0.455338 0.910674 0.750000 Hf\n0.455338 0.544663 0.750000 Hf\n0.910675 0.455338 0.250000 Hf\n0.544663 0.455338 0.250000 Hf\n0.607634 0.803817 0.051377 Hf\n0.196183 0.392367 0.051377 Hf\n0.196184 0.803817 0.051377 Hf\n0.544662 0.089326 0.250000 Hf\n0.803817 0.607633 0.948622 Hf\n0.803817 0.196183 0.948622 Hf\n0.392367 0.196183 0.551377 Hf\n0.803817 0.607633 0.551377 Hf\n0.803817 0.196183 0.551377 Hf\n0.607634 0.803817 0.448623 Hf\n0.196183 0.392367 0.448623 Hf\n0.392367 0.196183 0.948622 Hf\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.777347 0.888674 0.750000 W\n0.111327 0.222653 0.750000 W\n0.888674 0.111327 0.250000 W\n0.222653 0.111327 0.250000 W\n0.888674 0.777347 0.250000 W\n0.111327 0.888674 0.750000 W\n0.333334 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
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{
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"created_at": "2022-09-04T14:38:36.357311Z",
"updated_at": "2022-09-04T14:38:36.357337Z",
"structure_string": "Y4 Ga12 Pt1\n1.0\n7.049162 -0.000000 -2.492255\n-3.524580 6.104753 -2.492255\n0.000000 0.000000 7.476765\nY Ga Pt\n4 12 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.500000 0.000000 -0.000000 Y\n-0.000000 0.500000 -0.000000 Y\n-0.000000 -0.000000 0.500000 Y\n0.500000 0.250000 0.750000 Ga\n0.500000 0.750000 0.249999 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.499999 Ga\n0.702428 0.000000 0.702428 Ga\n0.297572 0.297572 -0.000000 Ga\n0.750000 0.500000 0.249999 Ga\n-0.000000 0.297572 0.297572 Ga\n-0.000000 0.702427 0.702428 Ga\n0.297572 0.000000 0.297572 Ga\n0.702427 0.702427 -0.000001 Ga\n0.250000 0.500000 0.750000 Ga\n0.000000 0.000000 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:36.355672Z",
"updated_at": "2022-09-04T14:38:36.355687Z",
"structure_string": "Rb12 Co4 O8\n1.0\n6.164626 0.000000 0.000000\n-0.000000 7.670757 0.000000\n0.000000 0.000000 12.274174\nRb Co O\n12 4 8\ndirect\n0.792003 0.750000 0.100089 Rb\n0.320796 0.999112 0.138250 Rb\n0.179204 0.500889 0.638249 Rb\n0.679204 0.499112 0.861750 Rb\n0.179204 0.999112 0.638249 Rb\n0.679204 0.000889 0.861750 Rb\n0.820797 0.000889 0.361750 Rb\n0.320796 0.500889 0.138250 Rb\n0.707998 0.750000 0.600088 Rb\n0.207998 0.250000 0.899911 Rb\n0.292003 0.250000 0.399911 Rb\n0.820797 0.499112 0.361750 Rb\n0.193601 0.750000 0.881611 Co\n0.693601 0.250000 0.618388 Co\n0.806400 0.250000 0.118388 Co\n0.306400 0.750000 0.381612 Co\n0.516618 0.750000 0.285425 O\n0.587448 0.250000 0.027523 O\n0.087448 0.750000 0.472477 O\n0.412552 0.750000 0.972477 O\n0.912553 0.250000 0.527523 O\n0.016617 0.250000 0.214575 O\n0.483383 0.250000 0.714575 O\n0.983383 0.750000 0.785425 O\n",
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{
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"created_at": "2022-09-04T14:38:36.350757Z",
"updated_at": "2022-09-04T14:38:36.350782Z",
"structure_string": "Ca1 Be1 P1\n1.0\n3.618053 -0.974905 0.000000\n-0.474232 5.439674 0.000000\n0.000000 0.000000 4.475148\nCa Be P\n1 1 1\ndirect\n0.098158 0.427416 0.000000 Ca\n0.381724 -0.005383 0.000000 Be\n-0.192465 -0.153776 0.000000 P\n",
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{
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"updated_at": "2022-09-04T14:38:36.347316Z",
"structure_string": "Y2 Ga3 Ni1\n1.0\n4.262288 0.000000 0.000000\n-2.131145 3.691250 0.000000\n-0.000000 -0.000000 7.506785\nY Ga Ni\n2 3 1\ndirect\n0.333334 0.666667 0.771948 Y\n0.333334 0.666667 0.234920 Y\n0.666667 0.333333 0.011741 Ga\n0.666667 0.333333 0.460065 Ga\n0.000000 0.000000 0.546955 Ga\n0.000000 0.000000 0.974374 Ni\n",
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},
{
"id": "jvasp-55811",
"created_at": "2022-09-04T14:38:36.343687Z",
"updated_at": "2022-09-04T14:38:36.343735Z",
"structure_string": "Ni4 Se4 O12\n1.0\n4.985961 0.000000 0.000000\n0.000000 5.899569 0.000000\n0.000000 0.000000 7.518077\nNi Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.980326 0.015695 0.250000 Se\n0.480326 0.484305 0.750000 Se\n0.519673 0.515695 0.250000 Se\n0.019673 0.984305 0.750000 Se\n0.826903 0.426992 0.750000 O\n0.326904 0.073008 0.250000 O\n0.859447 0.183368 0.072696 O\n0.359447 0.316632 0.927305 O\n0.640552 0.683368 0.427304 O\n0.359447 0.316632 0.572696 O\n0.140553 0.816633 0.927305 O\n0.640552 0.683368 0.072696 O\n0.673096 0.926992 0.750000 O\n0.859447 0.183368 0.427304 O\n0.140553 0.816633 0.572696 O\n0.173096 0.573008 0.250000 O\n",
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{
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"structure_string": "Rb4 Li4 H16 N8\n1.0\n3.824168 -0.000000 0.000000\n0.000000 7.738761 0.000000\n0.000000 0.000000 11.401553\nRb Li H N\n4 4 16 8\ndirect\n0.750000 0.872015 0.741381 Rb\n0.250000 0.127985 0.258618 Rb\n0.750000 0.372015 0.758618 Rb\n0.250000 0.627985 0.241382 Rb\n0.750000 0.614413 0.000662 Li\n0.250000 0.385587 0.999338 Li\n0.750000 0.114413 0.499338 Li\n0.250000 0.885587 0.500662 Li\n0.958957 0.405800 0.429648 H\n0.458957 0.594200 0.570352 H\n0.541043 0.905800 0.070352 H\n0.041043 0.094200 0.929648 H\n0.041043 0.594200 0.570352 H\n0.541043 0.405800 0.429648 H\n0.458957 0.094200 0.929648 H\n0.958957 0.905800 0.070352 H\n0.250000 0.741192 0.936911 H\n0.750000 0.258808 0.063089 H\n0.250000 0.241192 0.563088 H\n0.750000 0.758808 0.436911 H\n0.250000 0.624189 0.818599 H\n0.750000 0.375811 0.181401 H\n0.250000 0.124189 0.681401 H\n0.750000 0.875811 0.318599 H\n0.750000 0.885621 0.409009 N\n0.250000 0.114379 0.590991 N\n0.750000 0.385621 0.090991 N\n0.250000 0.614379 0.909009 N\n0.750000 0.840991 0.107403 N\n0.250000 0.159009 0.892597 N\n0.750000 0.340991 0.392597 N\n0.250000 0.659009 0.607403 N\n",
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{
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"created_at": "2022-09-04T14:38:36.337200Z",
"updated_at": "2022-09-04T14:38:36.337222Z",
"structure_string": "Na2 Sm4 Ir2 O12\n1.0\n0.000000 5.466014 -0.002690\n5.945628 0.000000 0.000000\n0.000000 -5.287833 -7.865945\nNa Sm Ir O\n2 4 2 12\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.778233 0.078657 0.253505 Sm\n0.221766 0.578658 0.246495 Sm\n0.778233 0.421343 0.753504 Sm\n0.221766 0.921343 0.746495 Sm\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.142837 0.825620 0.444194 O\n0.857162 0.325620 0.055806 O\n0.605931 0.448668 0.234580 O\n0.394068 0.948668 0.265420 O\n0.394068 0.551332 0.765419 O\n0.270333 0.213242 0.930140 O\n0.729667 0.786758 0.069859 O\n0.270333 0.286758 0.430141 O\n0.142837 0.674380 0.944194 O\n0.729667 0.713242 0.569859 O\n0.605931 0.051332 0.734580 O\n0.857162 0.174380 0.555805 O\n",
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"formula_full": "Na2 Sm4 Ir2 O12",
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},
{
"id": "jvasp-119186",
"created_at": "2022-09-04T14:38:36.335871Z",
"updated_at": "2022-09-04T14:38:36.335886Z",
"structure_string": "Ga1 H6 N2 F3\n1.0\n4.064977 -0.065058 3.266072\n2.128081 3.464035 3.266072\n-0.076207 -0.041825 6.832909\nGa H N F\n1 6 2 3\ndirect\n0.500000 0.500000 0.500000 Ga\n0.826597 0.826597 0.032736 H\n0.173403 0.173402 0.967264 H\n0.367226 0.957437 0.767910 H\n0.042562 0.632774 0.232090 H\n0.632774 0.042562 0.232090 H\n0.957438 0.367226 0.767910 H\n0.779914 0.779914 0.218387 N\n0.220086 0.220085 0.781613 N\n0.481529 0.481529 0.236184 F\n0.518471 0.518471 0.763816 F\n0.000000 -0.000001 0.500000 F\n",
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"volume": 98.30468927027502,
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"formula_full": "Ga1 H6 N2 F3",
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"formula_anonymous": "AB2C3D6",
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{
"id": "jvasp-38758",
"created_at": "2022-09-04T14:38:36.328661Z",
"updated_at": "2022-09-04T14:38:36.328686Z",
"structure_string": "Li4 Yb8 In4 Ge8\n1.0\n4.377306 -0.000000 0.000000\n0.000000 7.142305 0.000000\n0.000000 0.000000 16.615468\nYb Li In Ge\n8 4 4 8\ndirect\n0.750001 0.985127 0.279536 Yb\n0.250000 0.514874 0.779536 Yb\n0.750001 0.485127 0.220464 Yb\n0.250000 0.014873 0.720464 Yb\n0.750001 0.843156 0.062117 Yb\n0.250000 0.656845 0.562117 Yb\n0.750001 0.343155 0.437883 Yb\n0.250000 0.156845 0.937883 Yb\n0.750001 0.490269 0.933071 Li\n0.250000 0.009732 0.433070 Li\n0.750001 0.990269 0.566930 Li\n0.250000 0.509732 0.066930 Li\n0.750001 0.844610 0.846739 In\n0.250000 0.655391 0.346739 In\n0.750001 0.344610 0.653261 In\n0.250000 0.155391 0.153261 In\n0.750001 0.269405 0.060724 Ge\n0.750001 0.731490 0.684229 Ge\n0.250000 0.768511 0.184229 Ge\n0.750001 0.231489 0.815771 Ge\n0.250000 0.268511 0.315771 Ge\n0.750001 0.769406 0.439276 Ge\n0.250000 0.730595 0.939276 Ge\n0.250000 0.230595 0.560724 Ge\n",
"nsites": 24,
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}
]
}