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{
"id": "jvasp-52376",
"created_at": "2022-09-04T14:37:04.417774Z",
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"structure_string": "Ca1 Pb1 I4\n1.0\n4.526581 0.001159 -0.020498\n-0.001811 7.920696 -0.025756\n-2.232994 -3.984685 6.980476\nCa Pb I\n1 1 4\ndirect\n0.500803 0.497214 -0.001205 Ca\n0.000801 0.997149 0.998721 Pb\n0.633146 0.951898 0.263172 I\n0.129828 0.469459 0.256602 I\n0.368495 0.042521 0.734357 I\n0.871737 0.524858 0.740911 I\n",
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{
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"structure_string": "Se2 O1\n1.0\n1.838572 -3.402694 0.029554\n2.027535 3.511792 0.000000\n0.034759 -0.020068 4.408377\nSe O\n2 1\ndirect\n0.746207 0.783059 0.473363 Se\n0.253792 0.036852 0.859971 Se\n-0.000000 0.180087 0.166667 O\n",
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{
"id": "jvasp-121134",
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"structure_string": "I1 F1\n1.0\n4.307260 0.000000 0.000000\n0.000000 4.307260 0.000000\n0.000000 0.000000 4.303869\nI F\n1 1\ndirect\n0.000000 0.000000 0.749954 I\n0.000000 0.000000 0.250046 F\n",
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{
"id": "jvasp-121175",
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"updated_at": "2022-09-04T14:38:52.874349Z",
"structure_string": "Al1 N1 O4\n1.0\n-2.249383 2.249383 3.218578\n2.249383 -2.249383 3.218578\n2.249383 2.249383 -3.218578\nAl N O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.749999 0.250000 0.499999 N\n0.039158 0.561794 0.862268 O\n0.823110 -0.039158 0.522636 O\n0.699526 0.176890 0.137730 O\n0.438205 0.300474 0.477362 O\n",
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"spacegroup": 82
},
{
"id": "jvasp-59035",
"created_at": "2022-09-04T14:38:20.069985Z",
"updated_at": "2022-09-04T14:38:20.070003Z",
"structure_string": "K4 Au4 Br16\n1.0\n0.000000 9.008381 0.088585\n6.634141 0.000000 0.000000\n0.000000 -1.778078 -12.749240\nK Au Br\n4 4 16\ndirect\n0.203796 0.557674 0.181318 K\n0.203796 0.942325 0.681318 K\n0.796204 0.442325 0.818683 K\n0.796204 0.057675 0.318683 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.493954 0.340413 0.325796 Br\n0.506045 0.840413 0.174205 Br\n0.096561 0.442578 0.688232 Br\n0.903439 0.942578 0.811768 Br\n0.903439 0.557422 0.311768 Br\n0.096561 0.057422 0.188232 Br\n0.856869 0.798190 0.544656 Br\n0.333767 0.726417 0.921344 Br\n0.143130 0.201810 0.455344 Br\n0.856870 0.701810 0.044656 Br\n0.493954 0.159587 0.825796 Br\n0.333767 0.773582 0.421344 Br\n0.666232 0.273582 0.078657 Br\n0.666232 0.226417 0.578657 Br\n0.143130 0.298190 0.955344 Br\n0.506045 0.659587 0.674205 Br\n",
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{
"id": "jvasp-122067",
"created_at": "2022-09-04T14:38:52.674889Z",
"updated_at": "2022-09-04T14:38:52.674917Z",
"structure_string": "Tl8 Cu2 Te2 O12\n1.0\n5.750879 0.055614 1.706718\n0.552734 8.103026 3.394754\n-0.004599 0.031457 9.249604\nTl Cu Te O\n8 2 2 12\ndirect\n0.919960 0.110293 0.797741 Tl\n0.080039 0.889707 0.202259 Tl\n0.873882 0.254073 0.345412 Tl\n0.126118 0.745928 0.654588 Tl\n0.273080 0.390073 0.465863 Tl\n0.726919 0.609927 0.534136 Tl\n0.509285 0.923939 0.763050 Tl\n0.490714 0.076062 0.236950 Tl\n0.776065 0.444511 0.944281 Cu\n0.223935 0.555489 0.055718 Cu\n0.658711 0.668342 0.135487 Te\n0.341288 0.331658 0.864512 Te\n0.631126 0.256300 0.953457 O\n0.270321 0.108234 0.920510 O\n0.729678 0.891766 0.079489 O\n0.536944 0.347283 0.652413 O\n0.463055 0.652717 0.347586 O\n0.837126 0.665973 0.920070 O\n0.162873 0.334028 0.079929 O\n0.937794 0.574612 0.228585 O\n0.062205 0.425388 0.771414 O\n0.402553 0.560158 0.833286 O\n0.597446 0.439842 0.166714 O\n0.368874 0.743700 0.046543 O\n",
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"density": 8.527508743536163,
"density_atomic": 0.0557852727118647,
"volume": 430.2210750848504,
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"formula_full": "Tl8 Cu2 Te2 O12",
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"spacegroup": 2
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{
"id": "jvasp-123672",
"created_at": "2022-09-04T14:38:52.658018Z",
"updated_at": "2022-09-04T14:38:52.658042Z",
"structure_string": "In1 Se2\n1.0\n2.127837 -3.526782 -0.326345\n1.990365 3.447412 -0.000000\n-0.407384 0.235203 5.440645\nIn Se\n1 2\ndirect\n0.000001 0.333338 0.166667 In\n0.734228 0.700446 0.447707 Se\n0.265775 -0.033781 0.885626 Se\n",
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"volume": 77.48997994677089,
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"spacegroup": 12
},
{
"id": "jvasp-123673",
"created_at": "2022-09-04T14:38:52.665037Z",
"updated_at": "2022-09-04T14:38:52.665074Z",
"structure_string": "Ir1 Se2\n1.0\n1.862071 -3.221516 -0.013289\n1.858880 3.219674 0.000000\n0.023154 -0.013368 5.162128\nIr Se\n1 2\ndirect\n0.000000 0.333338 0.166667 Ir\n0.665505 0.666082 0.422060 Se\n0.334494 0.000576 0.911273 Se\n",
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"volume": 61.86257610873984,
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"spacegroup": 164
},
{
"id": "jvasp-86306",
"created_at": "2022-09-04T14:35:49.211021Z",
"updated_at": "2022-09-04T14:35:49.211057Z",
"structure_string": "Sr10 In6\n1.0\n7.870072 0.000000 -3.697592\n-1.737238 7.675939 -3.697592\n0.004624 0.005787 10.234093\nSr In\n10 6\ndirect\n0.028005 0.528006 0.707618 Sr\n0.320388 0.820388 0.292382 Sr\n0.971994 0.471995 0.292382 Sr\n0.500000 0.500000 0.000000 Sr\n0.820387 0.971995 0.292382 Sr\n0.528005 0.679612 0.707618 Sr\n0.679612 0.179612 0.707618 Sr\n0.179612 0.028005 0.707618 Sr\n0.471995 0.320388 0.292382 Sr\n0.000000 0.000000 0.000000 Sr\n0.118071 0.381929 0.000000 In\n0.618071 0.118071 0.000000 In\n0.881929 0.618071 0.000000 In\n0.749999 0.750000 0.500000 In\n0.381929 0.881929 0.000000 In\n0.250000 0.250000 0.500000 In\n",
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{
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"created_at": "2022-09-04T14:38:53.441742Z",
"updated_at": "2022-09-04T14:38:53.441771Z",
"structure_string": "Dy1 V1\n1.0\n3.455115 0.000000 0.000000\n0.000000 3.455115 0.000000\n-0.000000 -0.000000 3.455115\nDy V\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500001 0.500001 0.500001 V\n",
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{
"id": "jvasp-122078",
"created_at": "2022-09-04T14:38:52.916150Z",
"updated_at": "2022-09-04T14:38:52.916164Z",
"structure_string": "Fe23 C6\n1.0\n6.354805 -0.000000 3.668949\n2.118268 5.991368 3.668949\n-0.000000 -0.000000 7.337897\nFe C\n23 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.663092 0.000000 -0.000000 Fe\n0.000000 0.663092 -0.000000 Fe\n0.000000 0.000000 0.663092 Fe\n0.336909 0.000000 -0.000000 Fe\n0.336909 0.000000 0.663092 Fe\n0.336909 0.663092 -0.000000 Fe\n0.000000 0.336909 0.663092 Fe\n0.000000 0.336909 -0.000000 Fe\n0.000000 0.663092 0.336909 Fe\n0.663092 0.000000 0.336908 Fe\n0.663092 0.336909 -0.000000 Fe\n0.383223 0.383223 0.383223 Fe\n0.750001 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.336909 Fe\n0.616778 0.149667 0.616777 Fe\n0.149667 0.616778 0.616778 Fe\n0.616778 0.616778 0.149667 Fe\n0.383223 0.383223 0.850333 Fe\n0.383223 0.850333 0.383223 Fe\n0.850334 0.383223 0.383223 Fe\n0.616778 0.616778 0.616777 Fe\n0.277551 0.722449 0.277551 C\n0.277551 0.277551 0.722449 C\n0.722450 0.277551 0.722449 C\n0.277551 0.722449 0.722449 C\n0.722450 0.722449 0.277551 C\n0.722450 0.277551 0.277551 C\n",
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{
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}