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{
"id": "jvasp-60063",
"created_at": "2022-09-04T14:37:33.242186Z",
"updated_at": "2022-09-04T14:37:33.242204Z",
"structure_string": "Si16 N16 O8\n1.0\n5.360716 0.000000 -1.226025\n-0.280399 5.353377 -1.226025\n-0.002899 -0.003054 12.320029\nSi N O\n16 16 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.956112 0.206112 0.412222 Si\n0.706112 0.456113 0.912222 Si\n0.043888 0.793889 0.587777 Si\n0.293888 0.543889 0.087777 Si\n0.331890 0.332104 0.664206 Si\n0.832104 0.831890 0.164206 Si\n0.832104 0.332318 0.164206 Si\n0.167682 0.667897 0.335793 Si\n0.668111 0.667897 0.335793 Si\n0.167897 0.667683 0.835793 Si\n0.167897 0.168111 0.835793 Si\n0.832318 0.332104 0.664206 Si\n0.500000 0.500001 0.500000 Si\n0.262426 0.749396 0.498790 N\n0.087201 0.573880 0.674402 N\n0.249396 0.762427 0.998790 N\n0.399477 0.412800 0.825597 N\n0.249396 0.236366 0.998790 N\n0.263635 0.250605 0.501209 N\n0.736366 0.749396 0.498790 N\n0.750605 0.763635 0.001209 N\n0.912799 0.899478 0.325597 N\n0.912799 0.426121 0.325597 N\n0.073879 0.587202 0.174402 N\n0.600523 0.587202 0.174402 N\n0.750605 0.237574 0.001209 N\n0.087201 0.100524 0.674403 N\n0.926121 0.412800 0.825597 N\n0.737574 0.250605 0.501209 N\n0.576535 0.541464 0.653068 O\n0.958537 0.923467 0.846931 O\n0.423466 0.458537 0.346931 O\n0.423466 0.888396 0.346931 O\n0.611606 0.076534 0.153068 O\n0.576535 0.111606 0.653068 O\n0.041463 0.076534 0.153069 O\n0.388395 0.923467 0.846931 O\n",
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{
"id": "jvasp-56340",
"created_at": "2022-09-04T14:37:33.337115Z",
"updated_at": "2022-09-04T14:37:33.337131Z",
"structure_string": "Nd1 Ni2 Sn2\n1.0\n4.116572 -0.000000 -1.644833\n-0.657217 4.063772 -1.644833\n0.050616 0.059460 6.100428\nNd Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500001 Ni\n0.250000 0.750000 0.500001 Ni\n0.636629 0.636629 0.273260 Sn\n0.363371 0.363370 0.726742 Sn\n",
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"spacegroup": 139
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{
"id": "jvasp-12144",
"created_at": "2022-09-04T14:37:33.354344Z",
"updated_at": "2022-09-04T14:37:33.354366Z",
"structure_string": "Sb2 Te1 Se2\n1.0\n4.044627 -0.026654 9.227801\n1.912081 3.564220 9.227801\n-0.044881 -0.026654 10.075184\nSb Te Se\n2 1 2\ndirect\n0.595653 0.595655 0.595652 Sb\n0.404346 0.404347 0.404346 Sb\n0.000000 0.000000 0.000000 Te\n0.210861 0.210862 0.210861 Se\n0.789138 0.789140 0.789137 Se\n",
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"spacegroup": 166
},
{
"id": "jvasp-23700",
"created_at": "2022-09-04T14:37:33.402012Z",
"updated_at": "2022-09-04T14:37:33.402024Z",
"structure_string": "Ce2 Si4 Ir4\n1.0\n4.176214 0.000000 0.000000\n-0.000000 4.176214 -0.000000\n0.000000 -0.000000 9.913588\nCe Si Ir\n2 4 4\ndirect\n0.499999 0.000000 0.755392 Ce\n0.000000 0.499999 0.244608 Ce\n0.499999 0.000000 0.369683 Si\n0.499999 0.499999 0.000000 Si\n0.000000 0.499999 0.630317 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.499999 0.872713 Ir\n0.499999 0.499999 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n0.499999 0.000000 0.127287 Ir\n",
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"elements": [
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"density": 11.154504125773537,
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"volume": 172.90054249330353,
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"formula_full": "Ce2 Si4 Ir4",
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"spacegroup": 129
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{
"id": "jvasp-23479",
"created_at": "2022-09-04T14:37:33.492188Z",
"updated_at": "2022-09-04T14:37:33.492202Z",
"structure_string": "Ca4 In2 Pd4\n1.0\n5.702086 0.000000 0.000000\n-2.851043 4.933885 -1.312895\n0.000000 -0.044616 8.181265\nCa In Pd\n4 2 4\ndirect\n0.201742 0.702031 0.350355 Ca\n0.499712 0.297968 0.149644 Ca\n0.798258 0.297968 0.649643 Ca\n0.500289 0.702030 0.850355 Ca\n0.837908 -0.000000 0.250000 In\n0.162092 -0.000001 0.749999 In\n0.996337 0.269129 0.002313 Pd\n0.727207 0.730869 0.497686 Pd\n0.003664 0.730869 0.997686 Pd\n0.272793 0.269129 0.502312 Pd\n",
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"elements": [
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{
"id": "jvasp-23523",
"created_at": "2022-09-04T14:37:34.045226Z",
"updated_at": "2022-09-04T14:37:34.045253Z",
"structure_string": "Tb4 In2 Pd4\n1.0\n7.742076 0.000000 0.000000\n0.000000 7.742076 0.000000\n0.000000 -0.000000 3.701034\nTb In Pd\n4 2 4\ndirect\n0.326912 0.826912 0.500000 Tb\n0.826912 0.673089 0.500000 Tb\n0.173089 0.326912 0.500000 Tb\n0.673089 0.173089 0.500000 Tb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.371952 0.128048 0.000000 Pd\n0.871953 0.371952 0.000000 Pd\n0.128048 0.628048 0.000000 Pd\n0.628048 0.871953 0.000000 Pd\n",
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],
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"density": 9.663695961841215,
"density_atomic": 0.04507773277429315,
"volume": 221.83901861414782,
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"spacegroup": 127
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{
"id": "jvasp-56523",
"created_at": "2022-09-04T14:37:34.023764Z",
"updated_at": "2022-09-04T14:37:34.023794Z",
"structure_string": "Ba4 Al8 Ge8\n1.0\n4.315003 0.000000 0.000000\n-0.000000 10.288694 0.000000\n0.000000 0.000000 11.079972\nBa Al Ge\n4 8 8\ndirect\n0.749999 0.251704 0.675316 Ba\n0.749999 0.751704 0.824684 Ba\n0.250000 0.748295 0.324684 Ba\n0.250000 0.248295 0.175316 Ba\n0.250000 0.101072 0.452799 Al\n0.749999 0.957457 0.118663 Al\n0.250000 0.601071 0.047201 Al\n0.250000 0.542543 0.618663 Al\n0.749999 0.457457 0.381337 Al\n0.749999 0.898928 0.547201 Al\n0.250000 0.042543 0.881337 Al\n0.749999 0.398928 0.952799 Al\n0.250000 0.975520 0.656737 Ge\n0.250000 0.353817 0.459838 Ge\n0.749999 0.646182 0.540161 Ge\n0.250000 0.475520 0.843262 Ge\n0.749999 0.524480 0.156737 Ge\n0.749999 0.024480 0.343263 Ge\n0.250000 0.853817 0.040161 Ge\n0.749999 0.146182 0.959838 Ge\n",
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{
"id": "jvasp-50202",
"created_at": "2022-09-04T14:36:45.006082Z",
"updated_at": "2022-09-04T14:36:45.006099Z",
"structure_string": "Zr8 N8 O4\n1.0\n3.137978 -0.000000 0.000000\n0.000000 8.499664 0.000000\n0.000000 0.000000 8.559994\nZr N O\n8 8 4\ndirect\n0.250000 0.001095 0.181869 Zr\n0.750001 0.178751 0.494842 Zr\n0.750001 0.321250 0.994841 Zr\n0.250000 0.498904 0.681869 Zr\n0.750001 0.501095 0.318130 Zr\n0.250000 0.678750 0.005158 Zr\n0.250000 0.821250 0.505158 Zr\n0.750001 0.998904 0.818130 Zr\n0.750001 0.944213 0.375939 N\n0.750001 0.866987 0.047414 N\n0.750001 0.633012 0.547414 N\n0.750001 0.555786 0.875939 N\n0.250000 0.133013 0.952585 N\n0.250000 0.366987 0.452585 N\n0.250000 0.055786 0.624061 N\n0.250000 0.444213 0.124061 N\n0.250000 0.690389 0.273583 O\n0.750001 0.190389 0.226416 O\n0.750001 0.309611 0.726416 O\n0.250000 0.809610 0.773583 O\n",
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{
"id": "jvasp-105305",
"created_at": "2022-09-04T14:36:57.484786Z",
"updated_at": "2022-09-04T14:36:57.484824Z",
"structure_string": "Sm2 Cd1 Ni2\n1.0\n7.439722 0.014425 0.000000\n-6.407666 3.780408 0.000000\n0.000000 0.000000 3.745849\nSm Cd Ni\n2 1 2\ndirect\n0.636847 0.363152 0.500000 Sm\n0.363152 0.636848 0.500000 Sm\n0.000000 0.000000 0.000000 Cd\n0.799510 0.200488 -0.000000 Ni\n0.200489 0.799511 -0.000000 Ni\n",
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{
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"created_at": "2022-09-04T14:36:57.368600Z",
"updated_at": "2022-09-04T14:36:57.368633Z",
"structure_string": "Ho1 Si2 Rh2\n1.0\n3.800845 0.000000 -1.435934\n-0.542486 3.761932 -1.435934\n-0.000612 -0.000706 5.746669\nHo Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.621216 0.621217 0.242436 Si\n0.378782 0.378781 0.757565 Si\n0.249999 0.749999 0.500000 Rh\n0.749999 0.249999 0.500000 Rh\n",
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{
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"created_at": "2022-09-04T14:36:50.200631Z",
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"structure_string": "Ce1 Ni2 Sn2\n1.0\n4.116523 0.000000 -1.652757\n-0.663571 4.062688 -1.652757\n0.043178 0.050802 6.060433\nCe Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.636345 0.636345 0.272688 Sn\n0.363656 0.363655 0.727311 Sn\n",
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{
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"structure_string": "Sm4 Mg2 Cu4\n1.0\n7.686624 -0.000000 0.000000\n0.000000 7.686624 0.000000\n-0.000000 -0.000000 3.770181\nSm Mg Cu\n4 2 4\ndirect\n0.670574 0.170574 0.500000 Sm\n0.329425 0.829425 0.500000 Sm\n0.170574 0.329425 0.500000 Sm\n0.829425 0.670574 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.123127 0.623127 -0.000000 Cu\n0.876872 0.376872 -0.000000 Cu\n0.623127 0.876872 -0.000000 Cu\n0.376872 0.123127 -0.000000 Cu\n",
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}