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{
"id": "jvasp-85693",
"created_at": "2022-09-04T14:35:59.397096Z",
"updated_at": "2022-09-04T14:35:59.397113Z",
"structure_string": "Ca10 Ge6 H2\n1.0\n-3.854260 3.854260 7.193156\n3.854260 -3.854260 7.193156\n3.854260 3.854260 -7.193156\nCa Ge H\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.315804 0.482696 0.500000 Ca\n0.815804 0.315804 0.833108 Ca\n0.482697 0.982697 0.166892 Ca\n0.684197 0.517304 0.500000 Ca\n0.982697 0.815804 0.500000 Ca\n0.184197 0.684197 0.166892 Ca\n0.517304 0.017304 0.833108 Ca\n0.000000 0.000000 0.000000 Ca\n0.017304 0.184196 0.500000 Ca\n0.250000 0.250000 0.000000 Ge\n0.750000 0.750000 0.000000 Ge\n0.881480 0.381480 0.262960 Ge\n0.118520 0.618520 0.737040 Ge\n0.381480 0.118520 0.500000 Ge\n0.618521 0.881480 0.500000 Ge\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
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{
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"updated_at": "2022-09-04T14:37:10.871209Z",
"structure_string": "Rb12 Cu4 O8\n1.0\n0.000000 6.727923 -0.010633\n9.711117 0.000000 0.000000\n0.000000 -3.524336 -8.717089\nRb Cu O\n12 4 8\ndirect\n0.238575 0.709622 0.312260 Rb\n0.245415 0.463997 0.005125 Rb\n0.245415 0.036004 0.505125 Rb\n0.754584 0.536004 0.994875 Rb\n0.734656 0.522363 0.375120 Rb\n0.265343 0.022363 0.124879 Rb\n0.754584 0.963997 0.494875 Rb\n0.734656 0.977637 0.875120 Rb\n0.238575 0.790378 0.812260 Rb\n0.761423 0.290378 0.687740 Rb\n0.761424 0.209622 0.187740 Rb\n0.265342 0.477637 0.624879 Rb\n0.292253 0.320420 0.327241 Cu\n0.707746 0.820420 0.172758 Cu\n0.707745 0.679580 0.672759 Cu\n0.292253 0.179580 0.827241 Cu\n0.512428 0.302015 0.879334 O\n0.067745 0.060550 0.777963 O\n0.932253 0.560551 0.722037 O\n0.932254 0.939450 0.222037 O\n0.067745 0.439450 0.277963 O\n0.487571 0.697985 0.120666 O\n0.512428 0.197985 0.379334 O\n0.487571 0.802016 0.620666 O\n",
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"formula_full": "Rb12 Cu4 O8",
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},
{
"id": "jvasp-58891",
"created_at": "2022-09-04T14:37:16.720972Z",
"updated_at": "2022-09-04T14:37:16.721003Z",
"structure_string": "Rb12 Cu4 O8\n1.0\n0.000000 6.727831 -0.010800\n9.711600 0.000000 0.000000\n0.000000 -3.524069 -8.716427\nRb Cu O\n12 4 8\ndirect\n0.238618 0.709614 0.312267 Rb\n0.245415 0.464029 0.005133 Rb\n0.245415 0.035971 0.505133 Rb\n0.754585 0.535971 0.994868 Rb\n0.734687 0.522380 0.375108 Rb\n0.265313 0.022380 0.124892 Rb\n0.754585 0.964029 0.494868 Rb\n0.734687 0.977620 0.875108 Rb\n0.238618 0.790386 0.812267 Rb\n0.761382 0.290386 0.687734 Rb\n0.761382 0.209614 0.187733 Rb\n0.265313 0.477620 0.624893 Rb\n0.292227 0.320437 0.327222 Cu\n0.707773 0.820437 0.172778 Cu\n0.707773 0.679563 0.672778 Cu\n0.292227 0.179563 0.827222 Cu\n0.512379 0.302008 0.879330 O\n0.067710 0.060537 0.777940 O\n0.932290 0.560537 0.722061 O\n0.932290 0.939463 0.222061 O\n0.067710 0.439463 0.277940 O\n0.487621 0.697992 0.120670 O\n0.512379 0.197992 0.379330 O\n0.487621 0.802008 0.620670 O\n",
"nsites": 24,
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],
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"volume": 569.8835611424694,
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"formula_full": "Rb12 Cu4 O8",
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{
"id": "jvasp-109655",
"created_at": "2022-09-04T14:38:04.580864Z",
"updated_at": "2022-09-04T14:38:04.580878Z",
"structure_string": "Zr2 Si1 Te2 As1\n1.0\n3.768866 0.000000 0.000000\n0.000000 3.768866 0.000000\n0.000000 -0.000000 10.029877\nZr Si Te As\n2 1 2 1\ndirect\n0.500000 -0.000000 0.791830 Zr\n-0.000000 0.500000 0.208170 Zr\n0.500000 0.500000 -0.000000 Si\n0.500000 -0.000000 0.345377 Te\n-0.000000 0.500000 0.654624 Te\n0.000000 0.000000 0.000000 As\n",
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"formula_full": "Zr2 Si1 Te2 As1",
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{
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"created_at": "2022-09-04T14:36:43.311286Z",
"updated_at": "2022-09-04T14:36:43.311303Z",
"structure_string": "Cd1 Cu1 Sb1\n1.0\n4.029601 0.000000 2.326492\n1.343201 3.799145 2.326492\n0.000000 0.000000 4.652982\nCd Cu Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.499999 0.500000 Cu\n0.250000 0.250000 0.250000 Sb\n",
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{
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"created_at": "2022-09-04T14:37:16.579111Z",
"updated_at": "2022-09-04T14:37:16.579139Z",
"structure_string": "Mg6 As4\n1.0\n6.192206 -0.000000 -0.000000\n-0.000000 6.192206 -0.000000\n0.000000 -0.000000 6.192206\nMg As\n6 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.250000 0.250000 0.250000 As\n0.750000 0.250000 0.750000 As\n0.750000 0.750000 0.250000 As\n0.250000 0.750000 0.750000 As\n",
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},
{
"id": "jvasp-91632",
"created_at": "2022-09-04T14:36:18.508242Z",
"updated_at": "2022-09-04T14:36:18.508273Z",
"structure_string": "Zn1 Cu2 Sn1 Se4\n1.0\n5.749375 0.000000 0.000000\n-0.000000 5.749375 0.000000\n-2.874687 -2.874687 5.746011\nZn Cu Sn Se\n1 2 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.629773 0.101379 0.739304 Se\n0.109530 0.637924 0.739304 Se\n0.898621 0.890470 0.260696 Se\n0.362076 0.370227 0.260696 Se\n",
"nsites": 8,
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"volume": 189.93619147797304,
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"formula_full": "Zn1 Cu2 Sn1 Se4",
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{
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"created_at": "2022-09-04T14:37:09.315263Z",
"updated_at": "2022-09-04T14:37:09.315283Z",
"structure_string": "Zn1 Cu2 Sn1 Se4\n1.0\n5.245259 -0.000000 -2.352133\n-1.054768 5.138113 -2.352133\n0.006806 0.008344 7.039708\nZn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.500000 Cu\n0.750000 0.249999 0.500001 Cu\n0.500000 0.500000 0.000000 Sn\n0.625002 0.625000 0.730098 Se\n0.374998 0.894903 0.269902 Se\n0.894904 0.374998 0.269903 Se\n0.105097 0.105096 0.730098 Se\n",
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{
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"created_at": "2022-09-04T14:37:55.964261Z",
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"structure_string": "Zn1 Cu2 Sn1 Se4\n1.0\n5.245259 -0.000000 -2.352133\n-1.054768 5.138113 -2.352133\n0.006806 0.008344 7.039708\nZn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.500000 Cu\n0.750000 0.249999 0.500001 Cu\n0.500000 0.500000 0.000000 Sn\n0.625002 0.625000 0.730098 Se\n0.374998 0.894903 0.269902 Se\n0.894904 0.374998 0.269903 Se\n0.105097 0.105096 0.730098 Se\n",
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{
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"structure_string": "Nd4 Mg2 Si4\n1.0\n7.364960 -0.000000 0.000000\n0.000000 7.364960 0.000000\n-0.000000 -0.000000 4.376877\nNd Mg Si\n4 2 4\ndirect\n0.680098 0.180098 0.500000 Nd\n0.319903 0.819903 0.500000 Nd\n0.180098 0.319903 0.500000 Nd\n0.819903 0.680098 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115792 0.615792 -0.000000 Si\n0.884208 0.384208 -0.000000 Si\n0.615792 0.884208 -0.000000 Si\n0.384208 0.115792 -0.000000 Si\n",
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"structure_string": "Dy2 Cl6\n1.0\n3.797166 0.000000 0.000000\n-1.898583 5.897195 0.000000\n0.000000 0.000000 8.481387\nDy Cl\n2 6\ndirect\n0.242681 0.485360 0.750000 Dy\n0.757321 0.514639 0.250000 Dy\n0.584552 0.169102 0.750000 Cl\n0.415450 0.830897 0.250000 Cl\n0.147370 0.294739 0.433602 Cl\n0.852631 0.705260 0.566399 Cl\n0.852631 0.705260 0.933602 Cl\n0.147370 0.294739 0.066399 Cl\n",
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{
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}