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{
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{
"id": "jvasp-95456",
"created_at": "2022-09-04T14:36:32.049355Z",
"updated_at": "2022-09-04T14:36:32.049384Z",
"structure_string": "H24 O12\n1.0\n3.937008 -0.001740 0.000330\n0.003500 8.041685 0.000698\n-0.000713 -0.000708 8.104867\nH O\n24 12\ndirect\n0.486174 0.923573 0.649011 H\n0.513481 0.346798 0.928583 H\n0.561103 0.780689 0.775952 H\n0.736610 0.846797 0.071455 H\n0.954366 0.277612 0.718489 H\n0.986182 0.576407 0.851034 H\n0.263919 0.076396 0.149007 H\n0.644676 0.541743 0.600144 H\n0.105432 0.458238 0.100148 H\n0.892972 0.907454 0.448434 H\n0.295734 0.777613 0.281547 H\n0.795730 0.722375 0.218496 H\n0.357131 0.407462 0.551612 H\n0.454367 0.222375 0.781541 H\n0.144666 0.958246 0.899893 H\n0.188991 0.219280 0.275951 H\n0.763925 0.423565 0.351029 H\n0.392974 0.592520 0.051615 H\n0.236629 0.653191 0.428585 H\n0.061112 0.719290 0.724095 H\n0.688996 0.280680 0.224096 H\n0.013477 0.153184 0.571457 H\n0.857119 0.092523 0.948425 H\n0.605417 0.041728 0.399897 H\n0.250144 0.499623 0.007370 O\n0.383028 0.864070 0.745375 O\n0.629142 0.256460 0.864202 O\n0.867084 0.364054 0.254671 O\n0.120944 0.743515 0.364195 O\n-0.000046 0.999629 0.992671 O\n0.620962 0.756448 0.135827 O\n0.750144 0.000353 0.492675 O\n0.499993 0.500344 0.507361 O\n0.129144 0.243528 0.635830 O\n0.367078 0.135907 0.245365 O\n0.883030 0.635914 0.754673 O\n",
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{
"id": "jvasp-60661",
"created_at": "2022-09-04T14:36:32.050074Z",
"updated_at": "2022-09-04T14:36:32.050103Z",
"structure_string": "Mo12 Br24\n1.0\n9.435575 0.060072 0.000000\n-2.045082 9.211478 0.000000\n0.000000 0.000000 11.864562\nMo Br\n12 24\ndirect\n0.127314 0.872686 0.000000 Mo\n0.065582 0.065582 0.857031 Mo\n0.434417 0.434418 0.357031 Mo\n0.934417 0.934418 0.142969 Mo\n0.856855 0.856855 0.934681 Mo\n0.565582 0.565582 0.642968 Mo\n0.356855 0.356855 0.565319 Mo\n0.143145 0.143145 0.065319 Mo\n0.627313 0.372686 0.500000 Mo\n0.872686 0.127314 0.000000 Mo\n0.643144 0.643145 0.434681 Mo\n0.372686 0.627314 0.500000 Mo\n0.547936 0.296171 0.707880 Br\n0.918640 0.665539 0.077841 Br\n0.581360 0.834461 0.577841 Br\n0.165539 0.418640 0.422159 Br\n0.334461 0.081360 0.922159 Br\n0.952063 0.203828 0.207880 Br\n0.646100 0.646101 0.853849 Br\n0.047937 0.796172 0.792119 Br\n0.853899 0.853899 0.353849 Br\n0.146101 0.146101 0.646151 Br\n0.353899 0.353899 0.146151 Br\n0.801816 0.198183 0.500000 Br\n0.698183 0.301816 0.000000 Br\n0.198184 0.801817 0.500000 Br\n0.796171 0.047936 0.792119 Br\n0.301816 0.698184 0.000000 Br\n0.418640 0.165539 0.422159 Br\n0.834461 0.581360 0.577841 Br\n0.665539 0.918640 0.077841 Br\n0.203828 0.952064 0.207880 Br\n0.296171 0.547937 0.707880 Br\n0.452063 0.703829 0.292119 Br\n0.081360 0.334461 0.922159 Br\n0.703828 0.452063 0.292119 Br\n",
"nsites": 36,
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"elements": [
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],
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"volume": 1032.6730116117824,
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"formula_full": "Mo12 Br24",
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"spacegroup": 64
},
{
"id": "jvasp-36009",
"created_at": "2022-09-04T14:36:32.052386Z",
"updated_at": "2022-09-04T14:36:32.052413Z",
"structure_string": "V1 Co1\n1.0\n2.889867 0.000000 -0.000000\n-0.000000 2.889867 -0.000000\n0.000000 -0.000000 2.889867\nV Co\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 Co\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-93363",
"created_at": "2022-09-04T14:36:32.052521Z",
"updated_at": "2022-09-04T14:36:32.052549Z",
"structure_string": "Tb2 Mg2 Ni2\n1.0\n-3.648422 0.000000 0.000000\n-0.000000 -0.000000 -3.978204\n1.824210 -8.743622 -0.000000\nTb Mg Ni\n2 2 2\ndirect\n0.586865 0.749999 0.173732 Tb\n0.413134 0.250000 0.826268 Tb\n0.796333 0.749999 0.592666 Mg\n0.203666 0.250000 0.407334 Mg\n0.954938 0.749999 0.909877 Ni\n0.045061 0.250000 0.090122 Ni\n",
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"volume": 126.9063898411817,
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"formula_full": "Tb2 Mg2 Ni2",
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{
"id": "jvasp-14198",
"created_at": "2022-09-04T14:36:32.053009Z",
"updated_at": "2022-09-04T14:36:32.053025Z",
"structure_string": "U4 Pd4 Se12\n1.0\n6.399716 0.000000 0.000000\n0.000000 7.825070 0.000000\n0.000000 0.000000 8.841932\nU Pd Se\n4 4 12\ndirect\n0.934763 0.362128 0.250000 U\n0.434763 0.137872 0.750000 U\n0.565238 0.862128 0.250000 U\n0.065237 0.637872 0.750000 U\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.661923 0.158971 0.441749 Se\n0.161923 0.341029 0.558251 Se\n0.821373 0.936938 0.750000 Se\n0.321373 0.563062 0.250000 Se\n0.678628 0.436938 0.750000 Se\n0.161923 0.341029 0.941748 Se\n0.338078 0.841029 0.558251 Se\n0.661923 0.158971 0.058251 Se\n0.838078 0.658971 0.058251 Se\n0.338078 0.841029 0.941748 Se\n0.178627 0.063062 0.250000 Se\n0.838078 0.658971 0.441749 Se\n",
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"volume": 442.78826614427476,
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"formula_full": "U4 Pd4 Se12",
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{
"id": "jvasp-7682",
"created_at": "2022-09-04T14:36:32.055317Z",
"updated_at": "2022-09-04T14:36:32.055342Z",
"structure_string": "Rb2 Pd1 C2\n1.0\n2.680232 -4.642300 0.000000\n2.680232 4.642300 -0.000000\n0.000000 -0.000000 5.288856\nRb Pd C\n2 1 2\ndirect\n0.333333 0.666667 0.283941 Rb\n0.666667 0.333333 0.716060 Rb\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.619612 C\n0.000000 0.000000 0.380389 C\n",
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"formula_full": "Rb2 Pd1 C2",
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"spacegroup": 164
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{
"id": "jvasp-3951",
"created_at": "2022-09-04T14:36:32.061028Z",
"updated_at": "2022-09-04T14:36:32.061053Z",
"structure_string": "Rb2 Pd1 Br6\n1.0\n6.344235 0.000000 3.662845\n2.114745 5.981402 3.662845\n0.000000 0.000000 7.325691\nRb Pd Br\n2 1 6\ndirect\n0.250000 0.250000 0.250001 Rb\n0.749999 0.750000 0.750002 Rb\n0.000000 0.000000 0.000000 Pd\n0.758080 0.241919 0.241921 Br\n0.758079 0.758080 0.241921 Br\n0.241919 0.241919 0.758081 Br\n0.758080 0.241919 0.758081 Br\n0.241919 0.758080 0.241921 Br\n0.241919 0.758080 0.758081 Br\n",
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{
"id": "jvasp-11301",
"created_at": "2022-09-04T14:36:32.061159Z",
"updated_at": "2022-09-04T14:36:32.061188Z",
"structure_string": "Zn2 Cr2 F10\n1.0\n4.874527 0.100969 -1.835433\n-1.959299 4.774063 -0.713781\n-0.054825 -0.059000 7.427398\nZn Cr F\n2 2 10\ndirect\n0.269460 0.519459 0.750001 Zn\n0.730541 0.480540 0.250001 Zn\n0.000000 0.000000 0.000000 Cr\n0.500001 0.000000 0.500001 Cr\n0.346884 0.096883 0.250000 F\n0.653118 0.903116 0.750001 F\n0.548732 0.692826 0.362443 F\n0.830384 0.186290 0.137559 F\n0.769959 0.664761 0.031773 F\n0.132989 0.738186 0.468228 F\n0.230043 0.335239 0.968228 F\n0.867013 0.261814 0.531773 F\n0.169617 0.813710 0.862443 F\n0.451269 0.307173 0.637559 F\n",
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{
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"created_at": "2022-09-04T14:36:32.065427Z",
"updated_at": "2022-09-04T14:36:32.065467Z",
"structure_string": "Ga1 Fe2\n1.0\n2.765153 0.000000 0.000000\n-1.382576 2.394693 0.000000\n0.000000 0.000000 5.842637\nGa Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333332 0.666666 0.652201 Fe\n0.666665 0.333333 0.347799 Fe\n",
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"updated_at": "2022-09-04T14:36:32.071363Z",
"structure_string": "Ca1 C1 N2\n1.0\n3.474155 0.016571 4.148892\n1.519129 3.124464 4.148892\n0.026343 0.016571 5.411319\nCa C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 C\n0.417390 0.417388 0.417389 N\n0.582612 0.582610 0.582611 N\n",
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{
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"created_at": "2022-09-04T14:36:32.073733Z",
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"structure_string": "Sn1\n1.0\n-2.023611 -2.023862 1.715636\n-2.023611 2.023862 -1.715636\n-2.023611 -2.023862 -1.715636\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
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{
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"updated_at": "2022-09-04T14:36:32.074141Z",
"structure_string": "Th1 Ir5\n1.0\n2.672268 -4.628504 0.000000\n2.672268 4.628504 -0.000000\n-0.000000 -0.000000 4.378668\nTh Ir\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.333334 0.666667 0.000000 Ir\n0.666667 0.333334 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
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]
}