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{
"id": "jvasp-40015",
"created_at": "2022-09-04T14:37:57.937770Z",
"updated_at": "2022-09-04T14:37:57.937780Z",
"structure_string": "Na1 Tm1 Tl2\n1.0\n-0.000455 3.727287 3.727287\n3.727287 -0.000455 3.727287\n3.727287 3.727287 -0.000455\nNa Tm Tl\n1 1 2\ndirect\n0.250002 0.250002 0.250002 Na\n0.750000 0.750000 0.750000 Tm\n0.000009 0.000009 0.000009 Tl\n0.499990 0.499990 0.499990 Tl\n",
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{
"id": "jvasp-109896",
"created_at": "2022-09-04T14:38:02.972727Z",
"updated_at": "2022-09-04T14:38:02.972754Z",
"structure_string": "Rb2 Tl1 Sb1 Br6\n1.0\n7.182185 -0.000000 4.146637\n2.394062 6.771429 4.146637\n-0.000000 -0.000000 8.293273\nRb Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761142 0.238858 0.238858 Br\n0.238858 0.238858 0.761142 Br\n0.238858 0.761142 0.761142 Br\n0.238858 0.761142 0.238859 Br\n0.761142 0.238858 0.761142 Br\n0.761142 0.761142 0.238859 Br\n",
"nsites": 10,
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{
"id": "jvasp-38082",
"created_at": "2022-09-04T14:37:59.504716Z",
"updated_at": "2022-09-04T14:37:59.504741Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.323230 5.323230\n5.323230 0.000000 5.323230\n5.323230 5.323230 -0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.248423 0.751577 0.751577 Cl\n0.248423 0.751577 0.248423 Cl\n0.751577 0.248423 0.751577 Cl\n0.751577 0.751577 0.248423 Cl\n0.248423 0.248423 0.751577 Cl\n0.751577 0.248423 0.248423 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Cl-Na-Rb-Sb",
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"density_atomic": 0.033147006320966815,
"volume": 301.68636959756446,
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"formula_full": "Rb2 Na1 Sb1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-40576",
"created_at": "2022-09-04T14:37:45.430995Z",
"updated_at": "2022-09-04T14:37:45.431005Z",
"structure_string": "Sm1 Cu4 Ag1\n1.0\n3.607081 -3.607081 0.000000\n-3.607081 -0.000000 -3.607081\n3.607081 3.607081 -0.000000\nSm Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.376422 0.752844 0.129267 Cu\n0.376422 0.247155 0.623576 Cu\n0.376422 0.752844 0.623576 Cu\n0.870732 0.247155 0.623577 Cu\n0.749999 0.499999 0.250000 Ag\n",
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"volume": 93.86370230620822,
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"formula_full": "Sm1 Cu4 Ag1",
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},
{
"id": "jvasp-33822",
"created_at": "2022-09-04T14:37:59.636326Z",
"updated_at": "2022-09-04T14:37:59.636351Z",
"structure_string": "Tm2 Br6\n1.0\n9.574450 0.000000 -0.000000\n-4.787227 8.291716 0.000000\n0.000000 -0.000000 3.680794\nTm Br\n2 6\ndirect\n0.333334 0.666668 0.750000 Tm\n0.666667 0.333334 0.250000 Tm\n0.207684 0.415369 0.250000 Br\n0.584631 0.792316 0.250000 Br\n0.207684 0.792316 0.250000 Br\n0.792316 0.584630 0.750000 Br\n0.415369 0.207684 0.750000 Br\n0.792315 0.207684 0.750000 Br\n",
"nsites": 8,
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"volume": 292.2131571072994,
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"formula_full": "Tm2 Br6",
"formula_reduced": "TmBr3",
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"spacegroup": 194
},
{
"id": "jvasp-39711",
"created_at": "2022-09-04T14:37:43.777027Z",
"updated_at": "2022-09-04T14:37:43.777049Z",
"structure_string": "Yb1 Ga1 Au2\n1.0\n0.000000 3.409004 3.409004\n3.409004 -0.000000 3.409004\n3.409004 3.409004 -0.000000\nYb Ga Au\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.249999 0.249999 0.249999 Ga\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n",
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"elements": [
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],
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{
"id": "jvasp-29714",
"created_at": "2022-09-04T14:37:57.923524Z",
"updated_at": "2022-09-04T14:37:57.923545Z",
"structure_string": "Ag4 I4\n1.0\n4.483339 0.000000 -0.000000\n-2.241669 3.882685 0.000000\n-0.000000 -0.000000 14.890854\nAg I\n4 4\ndirect\n0.000000 0.000000 0.322620 Ag\n0.666667 0.333333 0.427598 Ag\n0.333333 0.666668 0.927598 Ag\n0.000000 0.000000 0.822620 Ag\n0.000000 0.000000 0.016826 I\n0.666667 0.333333 0.232956 I\n0.333333 0.666668 0.732955 I\n0.000000 0.000000 0.516826 I\n",
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"volume": 259.21094895254606,
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"formula_full": "Ag4 I4",
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"spacegroup": 186
},
{
"id": "jvasp-22797",
"created_at": "2022-09-04T14:37:54.161810Z",
"updated_at": "2022-09-04T14:37:54.161835Z",
"structure_string": "Ga14 Ni6\n1.0\n6.920074 0.000000 -2.446616\n-3.460037 5.992960 -2.446616\n0.000000 -0.000000 7.339847\nGa Ni\n14 6\ndirect\n0.750000 0.250000 0.499999 Ga\n0.000000 0.000000 0.676852 Ga\n-0.000000 0.676851 -0.000001 Ga\n0.000000 0.000000 0.323149 Ga\n-0.000000 0.323149 -0.000000 Ga\n0.323148 0.000000 -0.000000 Ga\n0.323148 0.323149 0.323148 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.750000 0.499999 Ga\n0.676851 0.676851 0.676851 Ga\n0.250000 0.500000 0.750000 Ga\n0.749999 0.500000 0.249999 Ga\n0.499999 0.750000 0.249999 Ga\n0.676851 0.000000 -0.000001 Ga\n-0.000000 0.650489 0.650488 Ni\n0.349511 0.349511 -0.000001 Ni\n0.650488 0.650489 -0.000001 Ni\n0.650488 0.000000 0.650488 Ni\n0.349511 0.000000 0.349511 Ni\n-0.000000 0.349511 0.349511 Ni\n",
"nsites": 20,
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"volume": 304.3961286499717,
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"formula_full": "Ga14 Ni6",
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},
{
"id": "jvasp-35350",
"created_at": "2022-09-04T14:37:43.773528Z",
"updated_at": "2022-09-04T14:37:43.773559Z",
"structure_string": "Tm1 Cu4 Ag1\n1.0\n-3.547276 -3.547276 -0.000000\n-3.547276 0.000000 -3.547276\n-0.000000 -3.547276 -3.547276\nTm Cu Ag\n1 4 1\ndirect\n0.750001 0.750001 0.750001 Tm\n0.374283 0.374283 0.374283 Cu\n0.877153 0.374283 0.374283 Cu\n0.374283 0.877153 0.374283 Cu\n0.374283 0.374283 0.877153 Cu\n0.000000 0.000000 0.000000 Ag\n",
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"formula_full": "Tm1 Cu4 Ag1",
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},
{
"id": "jvasp-23888",
"created_at": "2022-09-04T14:37:43.745947Z",
"updated_at": "2022-09-04T14:37:43.745973Z",
"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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},
{
"id": "jvasp-40526",
"created_at": "2022-09-04T14:37:52.559086Z",
"updated_at": "2022-09-04T14:37:52.559108Z",
"structure_string": "Li1 Ca2 Cd1\n1.0\n-0.000000 3.826529 3.826529\n3.826529 -0.000000 3.826529\n3.826529 3.826529 0.000000\nLi Ca Cd\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Li\n0.500001 0.500001 0.500001 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cd\n",
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{
"id": "jvasp-35267",
"created_at": "2022-09-04T14:38:03.020727Z",
"updated_at": "2022-09-04T14:38:03.020751Z",
"structure_string": "Na8 Zn4 S8\n1.0\n0.000000 6.853022 0.031372\n7.055452 0.000000 0.000000\n0.000000 -0.529329 -8.799031\nNa Zn S\n8 4 8\ndirect\n0.546607 0.674967 0.678225 Na\n0.953392 0.174967 0.321775 Na\n0.453392 0.325033 0.321775 Na\n0.046607 0.825033 0.678225 Na\n0.512219 0.764262 0.052873 Na\n0.987781 0.264263 0.947127 Na\n0.487781 0.235737 0.947127 Na\n0.012219 0.735737 0.052873 Na\n0.344237 0.903463 0.370420 Zn\n0.155762 0.403463 0.629580 Zn\n0.655762 0.096536 0.629580 Zn\n0.844237 0.596536 0.370420 Zn\n0.302624 0.106654 0.591571 S\n0.197375 0.606654 0.408429 S\n0.697375 0.893346 0.408430 S\n0.802624 0.393346 0.591571 S\n0.246252 0.044452 0.143656 S\n0.253748 0.544452 0.856344 S\n0.753748 0.955547 0.856344 S\n0.746252 0.455547 0.143657 S\n",
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}