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{
"id": "jvasp-22527",
"created_at": "2022-09-04T14:37:18.728899Z",
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"structure_string": "Sr1 Cl2\n1.0\n4.271915 0.000000 2.466390\n1.423972 4.027599 2.466390\n0.000000 0.000000 4.932782\nSr Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
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{
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"structure_string": "Ba2 Ga1 Hg1\n1.0\n-17.219116 -0.000000 -9.941462\n-10.003705 -0.483360 -2.555998\n-8.846416 2.789948 -4.560482\nBa Ga Hg\n2 1 1\ndirect\n0.838703 0.000001 0.000000 Ba\n0.161296 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000001 0.000000 Hg\n",
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{
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{
"id": "jvasp-9179",
"created_at": "2022-09-04T14:37:13.909134Z",
"updated_at": "2022-09-04T14:37:13.909146Z",
"structure_string": "Sr8 Sn4\n1.0\n5.373053 -0.000000 0.000000\n-0.000000 8.309004 0.000000\n0.000000 0.000000 10.063290\nSr Sn\n8 4\ndirect\n0.250000 0.479296 0.182992 Sr\n0.750000 0.520703 0.817008 Sr\n0.250000 0.979296 0.317008 Sr\n0.750000 0.020703 0.682992 Sr\n0.750000 0.157914 0.074406 Sr\n0.250000 0.842085 0.925594 Sr\n0.750000 0.657914 0.425594 Sr\n0.250000 0.342085 0.574406 Sr\n0.250000 0.750459 0.605270 Sn\n0.750000 0.249541 0.394730 Sn\n0.250000 0.250459 0.894730 Sn\n0.750000 0.749540 0.105270 Sn\n",
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"volume": 449.2727529493524,
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"spacegroup": 62
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{
"id": "jvasp-22539",
"created_at": "2022-09-04T14:37:18.746972Z",
"updated_at": "2022-09-04T14:37:18.747006Z",
"structure_string": "K2 Mg1 F4\n1.0\n3.814943 0.000000 -1.102900\n-0.318849 3.801594 -1.102900\n0.003864 0.004202 7.162778\nK Mg F\n2 1 4\ndirect\n0.648432 0.648432 0.296866 K\n0.351566 0.351566 0.703134 K\n0.000000 0.000000 0.000000 Mg\n-0.000000 0.499999 -0.000000 F\n0.500000 -0.000000 -0.000000 F\n0.846757 0.846758 0.693519 F\n0.153240 0.153241 0.306481 F\n",
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"elements": [
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"density": 2.852282874252607,
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{
"id": "jvasp-12926",
"created_at": "2022-09-04T14:37:07.044972Z",
"updated_at": "2022-09-04T14:37:07.044996Z",
"structure_string": "Ca2 In2 Br6\n1.0\n4.245547 -0.000000 0.000000\n-2.122773 6.986158 -0.000000\n-0.000000 0.000000 10.868456\nCa In Br\n2 2 6\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.758867 0.517731 0.750000 In\n0.241135 0.482269 0.250000 In\n0.863668 0.727333 0.451586 Br\n0.136334 0.272668 0.548414 Br\n0.136334 0.272668 0.951586 Br\n0.863668 0.727333 0.048414 Br\n0.433832 0.867662 0.750000 Br\n0.566169 0.132338 0.250000 Br\n",
"nsites": 10,
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"elements": [
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"formula_full": "Ca2 In2 Br6",
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{
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"created_at": "2022-09-04T14:37:18.770395Z",
"updated_at": "2022-09-04T14:37:18.770426Z",
"structure_string": "Sr1 Se1\n1.0\n3.831517 0.000000 2.212128\n1.277172 3.612390 2.212128\n0.000000 0.000000 4.424256\nSr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 Se\n",
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"density": 4.517168786284397,
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"volume": 61.235833948493195,
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{
"id": "jvasp-79525",
"created_at": "2022-09-04T14:37:18.772533Z",
"updated_at": "2022-09-04T14:37:18.772570Z",
"structure_string": "Na3 Cl1\n1.0\n3.511546 -0.000000 -0.000000\n0.000000 3.511546 0.000000\n-0.000000 -0.000000 9.398604\nNa Cl\n3 1\ndirect\n0.000000 0.000000 0.500000 Na\n0.500001 0.500001 0.821347 Na\n0.500001 0.500001 0.178652 Na\n0.000000 0.000000 0.000000 Cl\n",
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"volume": 115.89376590147748,
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"formula_full": "Na3 Cl1",
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"spacegroup": 123
},
{
"id": "jvasp-80243",
"created_at": "2022-09-04T14:37:07.419450Z",
"updated_at": "2022-09-04T14:37:07.419482Z",
"structure_string": "Rb2 Au1 I1\n1.0\n-11.436587 -0.000000 -6.602917\n-10.013355 0.049482 4.137807\n-7.173307 8.082352 -0.781301\nRb Au I\n2 1 1\ndirect\n0.742176 -0.000000 0.000000 Rb\n0.257824 -0.000000 0.000000 Rb\n0.500000 -0.000000 0.000000 Au\n0.000000 0.000000 0.000000 I\n",
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},
{
"id": "jvasp-13112",
"created_at": "2022-09-04T14:37:07.375093Z",
"updated_at": "2022-09-04T14:37:07.375121Z",
"structure_string": "Ca8 Pb4\n1.0\n5.144765 0.000000 0.000000\n0.000000 7.755039 0.000000\n0.000000 0.000000 9.564276\nCa Pb\n8 4\ndirect\n0.749999 0.334161 0.072517 Ca\n0.250000 0.665839 0.927483 Ca\n0.749999 0.834162 0.427483 Ca\n0.250000 0.165839 0.572517 Ca\n0.749999 0.479843 0.691833 Ca\n0.250000 0.520157 0.308168 Ca\n0.749999 0.979843 0.808168 Ca\n0.250000 0.020157 0.191832 Ca\n0.749999 0.753907 0.104392 Pb\n0.250000 0.246093 0.895608 Pb\n0.749999 0.253907 0.395608 Pb\n0.250000 0.746093 0.604392 Pb\n",
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{
"id": "jvasp-24614",
"created_at": "2022-09-04T14:37:19.354409Z",
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"structure_string": "Xe2 I2 F14\n1.0\n6.552677 0.000000 -3.755078\n-2.151886 6.189262 -3.755077\n-0.004519 -0.006356 7.586922\nXe I F\n2 2 14\ndirect\n-0.000000 0.500000 -0.000000 Xe\n0.500000 -0.000000 -0.000000 Xe\n0.291330 0.291330 0.582659 I\n0.708669 0.708669 0.417339 I\n0.802608 0.982558 0.477318 F\n0.494760 0.802608 0.477318 F\n0.982558 0.674710 0.477318 F\n0.674711 0.494760 0.477319 F\n0.197391 0.017441 0.522680 F\n0.741779 0.604452 -0.000001 F\n0.325289 0.505239 0.522680 F\n0.882571 0.882571 0.765142 F\n0.117428 0.117428 0.234856 F\n0.258221 0.395547 -0.000000 F\n0.604453 0.258221 -0.000000 F\n0.395547 0.741779 -0.000001 F\n0.017441 0.325289 0.522680 F\n0.505239 0.197391 0.522680 F\n",
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{
"id": "jvasp-10993",
"created_at": "2022-09-04T14:37:19.983348Z",
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"structure_string": "Sr2 Pd2 F8\n1.0\n5.301052 0.000000 -2.515299\n-1.193486 5.164954 -2.515299\n-0.030076 -0.037818 6.780310\nSr Pd F\n2 2 8\ndirect\n0.249999 0.250000 0.499999 Sr\n0.749999 0.749999 0.499999 Sr\n-0.000000 0.500000 -0.000000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.962522 0.462523 0.264696 F\n0.697825 0.197826 0.735302 F\n0.037476 0.537476 0.735302 F\n0.197826 0.037477 0.735303 F\n0.302173 0.802173 0.264696 F\n0.462522 0.302173 0.264696 F\n0.802172 0.962522 0.264696 F\n0.537475 0.697825 0.735302 F\n",
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}