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{
"id": "jvasp-103159",
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{
"id": "jvasp-103156",
"created_at": "2022-09-04T14:36:43.117161Z",
"updated_at": "2022-09-04T14:36:43.117192Z",
"structure_string": "Rb2 Sc1 Hg1 F6\n1.0\n5.591244 -0.000000 3.228107\n1.863748 5.271476 3.228107\n-0.000000 -0.000000 6.456213\nRb Sc Hg F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.778537 0.221462 0.221463 F\n0.221462 0.221462 0.778538 F\n0.221462 0.778538 0.778538 F\n0.221462 0.778538 0.221462 F\n0.778537 0.221462 0.778538 F\n0.778537 0.778538 0.221463 F\n",
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"formula_full": "Rb2 Sc1 Hg1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-103153",
"created_at": "2022-09-04T14:37:07.622009Z",
"updated_at": "2022-09-04T14:37:07.622038Z",
"structure_string": "Li4 Mn2 O4\n1.0\n4.269628 0.253098 2.010545\n0.989864 4.597696 0.466096\n0.194394 0.126608 5.125849\nLi Mn O\n4 2 4\ndirect\n0.948395 0.250001 0.603214 Li\n0.448394 0.750001 0.603215 Li\n0.551604 0.250001 0.396788 Li\n0.051603 0.750001 0.396788 Li\n0.749999 0.750001 0.000001 Mn\n0.250000 0.250000 0.000001 Mn\n0.145053 0.500001 0.709901 O\n0.645050 0.000005 0.709901 O\n0.354946 -0.000000 0.290101 O\n0.854949 0.499996 0.290102 O\n",
"nsites": 10,
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"elements": [
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"density": 3.431854376041821,
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"volume": 97.56453067515004,
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"formula_full": "Li4 Mn2 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 71
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{
"id": "jvasp-103152",
"created_at": "2022-09-04T14:36:38.954430Z",
"updated_at": "2022-09-04T14:36:38.954458Z",
"structure_string": "Co2 O4\n1.0\n2.557059 -0.140517 8.351726\n1.132590 2.296855 8.351726\n-0.240434 -0.140517 8.731098\nCo O\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500002 0.499998 0.500001 Co\n0.630587 0.630582 0.630586 O\n0.202784 0.202783 0.202784 O\n0.797220 0.797213 0.797218 O\n0.369417 0.369413 0.369416 O\n",
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"volume": 59.235005150507945,
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"formula_full": "Co2 O4",
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{
"id": "jvasp-10315",
"created_at": "2022-09-04T14:37:13.446463Z",
"updated_at": "2022-09-04T14:37:13.446498Z",
"structure_string": "Ti2 Ge4 O12\n1.0\n5.438693 0.059982 1.284793\n1.503234 6.527871 0.765067\n0.163663 0.002784 6.740278\nTi Ge O\n2 4 12\ndirect\n0.749999 0.898650 0.101350 Ti\n0.249999 0.101349 0.898650 Ti\n0.753413 0.380645 0.207601 Ge\n0.746585 0.792399 0.619355 Ge\n0.246585 0.619354 0.792400 Ge\n0.253413 0.207600 0.380645 Ge\n0.626672 0.962901 0.825076 O\n0.873326 0.174925 0.037099 O\n0.746536 0.628949 0.086552 O\n0.753462 0.913447 0.371052 O\n0.253463 0.371051 0.913448 O\n0.565604 0.605120 0.663771 O\n-0.065605 0.336229 0.394880 O\n0.126672 0.825074 0.962902 O\n0.065604 0.663770 0.605121 O\n0.434394 0.394880 0.336230 O\n0.246536 0.086552 0.628949 O\n0.373326 0.037098 0.174925 O\n",
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"volume": 237.32158883507262,
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"formula_full": "Ti2 Ge4 O12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 15
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{
"id": "jvasp-103148",
"created_at": "2022-09-04T14:36:42.321579Z",
"updated_at": "2022-09-04T14:36:42.321607Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n3.781731 0.000000 0.000000\n-0.000000 3.781731 0.000000\n0.000000 0.000000 9.700602\nTi Zn Bi O\n1 1 2 6\ndirect\n0.500000 0.500000 0.787570 Ti\n0.500000 0.500000 0.263740 Zn\n0.000000 0.000000 0.473286 Bi\n0.000000 0.000000 0.003472 Bi\n0.500000 0.500000 0.610168 O\n0.000000 0.500000 0.347858 O\n0.500000 0.000000 0.847754 O\n0.500000 0.000000 0.347858 O\n0.500000 0.500000 0.061238 O\n0.000000 0.500000 0.847754 O\n",
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],
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"density_atomic": 0.07208087437893913,
"volume": 138.73305625329425,
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"formula_full": "Ti1 Zn1 Bi2 O6",
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"spacegroup": 99
},
{
"id": "jvasp-103144",
"created_at": "2022-09-04T14:37:03.947076Z",
"updated_at": "2022-09-04T14:37:03.947091Z",
"structure_string": "Co2 Pb1 N2\n1.0\n3.249580 0.000000 -0.000001\n-1.624798 2.814223 -0.000000\n0.000000 0.000000 7.160030\nCo Pb N\n2 1 2\ndirect\n0.666667 0.333333 0.112917 Co\n0.333332 0.666666 0.887083 Co\n-0.000000 -0.000000 0.500000 Pb\n0.666667 0.333333 0.843511 N\n0.333332 0.666666 0.156489 N\n",
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{
"id": "jvasp-103142",
"created_at": "2022-09-04T14:37:03.369312Z",
"updated_at": "2022-09-04T14:37:03.369332Z",
"structure_string": "Zr2 Sn2 N4\n1.0\n3.987639 -0.000000 0.000000\n-0.000000 3.987639 0.000000\n0.000000 0.000000 8.019922\nZr Sn N\n2 2 4\ndirect\n0.750000 0.750000 0.606104 Zr\n0.250000 0.250000 0.393896 Zr\n0.750000 0.750000 0.132694 Sn\n0.250000 0.250000 0.867305 Sn\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.868576 N\n0.250000 0.250000 0.131423 N\n",
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},
{
"id": "jvasp-103141",
"created_at": "2022-09-04T14:37:02.204174Z",
"updated_at": "2022-09-04T14:37:02.204200Z",
"structure_string": "Mg2 Pd1 N2\n1.0\n2.963658 0.000162 -0.688126\n-3.123340 2.959191 -0.000000\n0.003340 0.003525 6.738652\nMg Pd N\n2 1 2\ndirect\n0.662010 0.331004 0.162166 Mg\n0.337992 0.668997 0.837833 Mg\n0.000001 0.000001 0.500000 Pd\n0.313585 0.156793 0.813401 N\n0.686416 0.843207 0.186598 N\n",
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},
{
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"created_at": "2022-09-04T14:37:00.945651Z",
"updated_at": "2022-09-04T14:37:00.945684Z",
"structure_string": "Li2 Ir1 N2\n1.0\n3.254111 -0.000000 -0.000001\n-1.627053 2.818142 0.000000\n0.000000 0.000000 4.966921\nLi Ir N\n2 1 2\ndirect\n0.666667 0.333333 0.358820 Li\n0.333333 0.666667 0.641180 Li\n0.000000 0.000000 0.000000 Ir\n0.666667 0.333333 0.790675 N\n0.333333 0.666667 0.209325 N\n",
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},
{
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"created_at": "2022-09-04T14:36:40.407023Z",
"updated_at": "2022-09-04T14:36:40.407043Z",
"structure_string": "Ca1 Os1 N2\n1.0\n3.101272 -0.006530 4.465706\n1.393764 2.770443 4.465706\n-0.010620 -0.006530 5.436939\nCa Os N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.500002 Os\n0.767740 0.767740 0.767744 N\n0.232259 0.232259 0.232260 N\n",
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}