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{
"id": "jvasp-42833",
"created_at": "2022-09-04T14:36:18.547925Z",
"updated_at": "2022-09-04T14:36:18.547951Z",
"structure_string": "Li2 Fe2 O2 F4\n1.0\n1.632156 -2.826978 0.000000\n1.632156 2.826978 -0.000000\n0.000000 0.000000 11.913448\nLi Fe O F\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.250000 Fe\n0.666668 0.333334 0.750000 Fe\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.333334 0.666668 0.416178 F\n0.333334 0.666668 0.083822 F\n0.666668 0.333334 0.583822 F\n0.666668 0.333334 0.916178 F\n",
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{
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"structure_string": "Ho2 Si2 Ru4 C2\n1.0\n3.784169 0.000000 -0.000000\n-1.892084 5.584174 -0.000000\n-0.000000 0.000000 7.133654\nHo Si Ru C\n2 2 4 2\ndirect\n0.953216 0.906430 0.250000 Ho\n0.046785 0.093571 0.750000 Ho\n0.231254 0.462506 0.250000 Si\n0.768747 0.537494 0.750000 Si\n0.663508 0.327014 0.444126 Ru\n0.336493 0.672985 0.944125 Ru\n0.336493 0.672985 0.555874 Ru\n0.663508 0.327014 0.055874 Ru\n0.500000 -0.000000 0.500000 C\n0.500000 -0.000000 0.000000 C\n",
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{
"id": "jvasp-85696",
"created_at": "2022-09-04T14:36:09.541424Z",
"updated_at": "2022-09-04T14:36:09.541451Z",
"structure_string": "K2 H2 C2 O4\n1.0\n2.960790 3.368692 -0.000000\n-2.960790 3.368692 -0.000000\n0.000000 -0.000000 6.825285\nK H C O\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.568107 0.568107 0.250000 H\n0.431893 0.431893 0.749999 H\n0.402589 0.402589 0.250000 C\n0.597411 0.597411 0.749999 C\n0.125300 0.505972 0.250000 O\n0.494028 0.874700 0.749999 O\n0.874700 0.494028 0.749999 O\n0.505972 0.125300 0.250000 O\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.07344805560434677,
"volume": 136.1506430322464,
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"formula_full": "K2 H2 C2 O4",
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"spacegroup": 63
},
{
"id": "jvasp-99440",
"created_at": "2022-09-04T14:36:31.468323Z",
"updated_at": "2022-09-04T14:36:31.468352Z",
"structure_string": "Y2 Fe4 Si2 C2\n1.0\n5.560066 -0.011203 0.000000\n-4.290892 3.535917 0.000000\n0.000000 -0.000000 6.732878\nY Fe Si C\n2 4 2 2\ndirect\n0.550535 0.449468 0.250000 Y\n0.449468 0.550534 0.750000 Y\n0.835141 0.164861 0.062190 Fe\n0.164861 0.835141 0.937810 Fe\n0.164861 0.835141 0.562190 Fe\n0.835141 0.164861 0.437810 Fe\n0.270537 0.729465 0.250000 Si\n0.729466 0.270536 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"chemical_system": "C-Fe-Si-Y",
"density": 6.05370546038656,
"density_atomic": 0.07573217813930076,
"volume": 132.04426765074857,
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"formula_full": "Y2 Fe4 Si2 C2",
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},
{
"id": "jvasp-103106",
"created_at": "2022-09-04T14:36:33.226729Z",
"updated_at": "2022-09-04T14:36:33.226756Z",
"structure_string": "Dy1 Mn2 Si1 Ge1\n1.0\n3.696509 0.003197 -4.677054\n-0.443796 3.669773 -4.677054\n-0.002831 -0.003197 5.961460\nDy Mn Si Ge\n1 2 1 1\ndirect\n0.997431 0.997431 0.000000 Dy\n0.753862 0.253862 0.500001 Mn\n0.253861 0.753861 0.499999 Mn\n0.377289 0.377289 0.000000 Si\n0.617554 0.617555 0.000000 Ge\n",
"nsites": 5,
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"volume": 80.76728693903034,
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"formula_full": "Dy1 Mn2 Si1 Ge1",
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{
"id": "jvasp-99438",
"created_at": "2022-09-04T14:36:30.965237Z",
"updated_at": "2022-09-04T14:36:30.965256Z",
"structure_string": "Tm2 Fe4 Si2 C2\n1.0\n5.534440 -0.004007 0.000000\n-4.305105 3.477947 0.000000\n0.000000 -0.000000 6.704080\nTm Fe Si C\n2 4 2 2\ndirect\n0.549117 0.450883 0.250000 Tm\n0.450884 0.549117 0.750000 Tm\n0.835093 0.164906 0.061122 Fe\n0.164907 0.835094 0.938878 Fe\n0.164907 0.835094 0.561122 Fe\n0.835093 0.164906 0.438878 Fe\n0.269550 0.730451 0.250000 Si\n0.730451 0.269548 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"volume": 128.9277609937624,
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"formula_full": "Tm2 Fe4 Si2 C2",
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},
{
"id": "jvasp-104636",
"created_at": "2022-09-04T14:36:52.607337Z",
"updated_at": "2022-09-04T14:36:52.607363Z",
"structure_string": "Er2 P2 Ru4 C2\n1.0\n5.857118 -0.008613 0.000000\n-4.654732 3.555190 0.000000\n-0.000000 -0.000000 7.034520\nEr P Ru C\n2 2 4 2\ndirect\n0.542728 0.457273 0.250000 Er\n0.457273 0.542728 0.750000 Er\n0.267732 0.732268 0.250000 P\n0.732269 0.267732 0.750000 P\n0.835398 0.164604 0.052463 Ru\n0.164603 0.835397 0.947537 Ru\n0.164603 0.835397 0.552463 Ru\n0.835398 0.164604 0.447537 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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],
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"density": 9.367766048101819,
"density_atomic": 0.06839993715353403,
"volume": 146.1989647381325,
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"formula_full": "Er2 P2 Ru4 C2",
"formula_reduced": "ErPRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-102660",
"created_at": "2022-09-04T14:36:46.838473Z",
"updated_at": "2022-09-04T14:36:46.838494Z",
"structure_string": "U1 Cu1 Ni1 Ge2\n1.0\n3.793877 0.009346 -4.369825\n-0.522358 3.757757 -4.369825\n-0.008116 -0.009346 5.786952\nU Cu Ni Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.750000 0.499999 Cu\n0.750000 0.250001 0.499999 Ni\n0.622736 0.622737 0.000000 Ge\n0.377265 0.377265 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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],
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"formula_full": "U1 Cu1 Ni1 Ge2",
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"spacegroup": 119
},
{
"id": "jvasp-103113",
"created_at": "2022-09-04T14:36:42.576738Z",
"updated_at": "2022-09-04T14:36:42.576764Z",
"structure_string": "Ce1 Co1 Cu1 Si2\n1.0\n3.770802 -0.011459 -4.180259\n-0.565562 3.728166 -4.180259\n0.009882 0.011459 5.629691\nCe Co Cu Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750001 0.500001 Co\n0.749999 0.250000 0.500000 Cu\n0.625756 0.625757 0.000000 Si\n0.374244 0.374244 0.000000 Si\n",
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{
"id": "jvasp-102302",
"created_at": "2022-09-04T14:36:42.237989Z",
"updated_at": "2022-09-04T14:36:42.238010Z",
"structure_string": "Th2 Si2 Ru4 C2\n1.0\n5.971211 -0.005276 0.000000\n-4.662455 3.730537 0.000000\n-0.000000 0.000000 7.191392\nTh Si Ru C\n2 2 4 2\ndirect\n0.554440 0.445560 0.250000 Th\n0.445560 0.554440 0.750000 Th\n0.273663 0.726338 0.250000 Si\n0.726337 0.273662 0.750000 Si\n0.835641 0.164358 0.055847 Ru\n0.164360 0.835642 0.944153 Ru\n0.164360 0.835642 0.555847 Ru\n0.835641 0.164358 0.444153 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"formula_full": "Th2 Si2 Ru4 C2",
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{
"id": "jvasp-104901",
"created_at": "2022-09-04T14:36:46.457463Z",
"updated_at": "2022-09-04T14:36:46.457490Z",
"structure_string": "Tm2 Mn4 Si2 C2\n1.0\n5.566879 -0.000249 0.000000\n-4.369823 3.448883 0.000000\n-0.000000 -0.000000 6.937385\nTm Mn Si C\n2 4 2 2\ndirect\n0.542661 0.457338 0.250000 Tm\n0.457339 0.542661 0.750001 Tm\n0.831742 0.168258 0.060979 Mn\n0.168258 0.831741 0.939022 Mn\n0.168258 0.831741 0.560979 Mn\n0.831742 0.168258 0.439022 Mn\n0.263941 0.736059 0.250000 Si\n0.736059 0.263941 0.750001 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "jvasp-100280",
"created_at": "2022-09-04T14:36:42.147396Z",
"updated_at": "2022-09-04T14:36:42.147416Z",
"structure_string": "Er2 Mn4 Si2 C2\n1.0\n5.590346 -0.005073 0.000000\n-4.384557 3.468091 -0.000000\n0.000000 -0.000000 6.963548\nEr Mn Si C\n2 4 2 2\ndirect\n0.542738 0.457262 0.250000 Er\n0.457262 0.542738 0.750000 Er\n0.832075 0.167926 0.060992 Mn\n0.167925 0.832074 0.939008 Mn\n0.167925 0.832074 0.560992 Mn\n0.832075 0.167926 0.439008 Mn\n0.264157 0.735842 0.250000 Si\n0.735843 0.264158 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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