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{
"id": "jvasp-4999",
"created_at": "2022-09-04T14:38:16.789830Z",
"updated_at": "2022-09-04T14:38:16.789854Z",
"structure_string": "Rb2 Mn2 As2\n1.0\n3.904315 0.000000 0.000000\n0.000000 3.904315 0.000000\n0.000000 0.000000 11.323518\nRb Mn As\n2 2 2\ndirect\n0.500001 0.000000 0.303353 Rb\n0.000000 0.500001 0.696647 Rb\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500001 0.124845 As\n0.500001 0.000000 0.875155 As\n",
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{
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"created_at": "2022-09-04T14:37:34.405553Z",
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"structure_string": "Rb2 Mn2 As2\n1.0\n3.904319 -0.000000 0.000000\n0.000000 3.904319 0.000000\n-0.000000 0.000000 11.322968\nRb Mn As\n2 2 2\ndirect\n0.500000 0.000000 0.303367 Rb\n0.000000 0.500000 0.696633 Rb\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.124850 As\n0.500000 0.000000 0.875150 As\n",
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{
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"structure_string": "Rb1 Mg6 W1\n1.0\n6.555231 -1.757263 0.000000\n-4.799449 8.312889 0.000000\n0.000000 0.000000 4.262857\nRb Mg W\n1 6 1\ndirect\n0.250061 0.375031 0.250000 Rb\n0.749903 0.374885 0.250000 Mg\n0.749903 0.875018 0.250000 Mg\n0.249995 0.081936 0.750001 Mg\n0.249995 0.668061 0.750001 Mg\n0.663896 0.081949 0.750001 Mg\n0.836151 0.668076 0.750001 Mg\n0.250097 0.875048 0.250000 W\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.510960799717425,
"density_atomic": 0.04074502518642677,
"volume": 196.3429882150376,
"volume_molar": 14.780063903374717,
"formula_full": "Rb1 Mg6 W1",
"formula_reduced": "RbMg6W",
"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-91910",
"created_at": "2022-09-04T14:36:07.738994Z",
"updated_at": "2022-09-04T14:36:07.739003Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.428097 0.000363 0.000000\n-3.213734 5.567076 0.000000\n0.000000 0.000000 5.107669\nRb Mg W\n1 6 1\ndirect\n0.083331 0.416670 0.250000 Rb\n0.118869 0.934422 0.250000 Mg\n0.565579 0.381131 0.250000 Mg\n0.565615 0.934386 0.250000 Mg\n0.435447 0.592749 0.750000 Mg\n0.907251 0.064553 0.750000 Mg\n0.907250 0.592751 0.750000 Mg\n0.416661 0.083339 0.750000 W\n",
"nsites": 8,
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"elements": [
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"density": 3.771333183297375,
"density_atomic": 0.04376667080766779,
"volume": 182.78749222566924,
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"formula_full": "Rb1 Mg6 W1",
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"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-91821",
"created_at": "2022-09-04T14:35:57.363243Z",
"updated_at": "2022-09-04T14:35:57.363259Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.554718 -1.756536 0.000000\n-4.798564 8.311355 0.000000\n0.000000 0.000000 4.263350\nRb Mg W\n1 6 1\ndirect\n0.250001 0.375001 0.250000 Rb\n0.749938 0.374955 0.250000 Mg\n0.749939 0.874981 0.250000 Mg\n0.249997 0.081919 0.750000 Mg\n0.249997 0.668079 0.750000 Mg\n0.663984 0.081993 0.750000 Mg\n0.836084 0.668041 0.750000 Mg\n0.250058 0.875028 0.250000 W\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.511261928296806,
"density_atomic": 0.04074851981147419,
"volume": 196.32614968623514,
"volume_molar": 14.778796353491723,
"formula_full": "Rb1 Mg6 W1",
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"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-94090",
"created_at": "2022-09-04T14:36:07.521647Z",
"updated_at": "2022-09-04T14:36:07.521668Z",
"structure_string": "Rb1 Mg6 V1\n1.0\n6.634969 -0.001102 0.000000\n-3.318439 5.745500 0.000000\n0.000000 0.000000 5.293390\nRb Mg V\n1 6 1\ndirect\n0.416647 0.083353 0.750000 Rb\n0.060511 0.905343 0.250000 Mg\n0.594657 0.439488 0.250000 Mg\n0.594669 0.905331 0.250000 Mg\n0.395755 0.572886 0.750000 Mg\n0.927114 0.104245 0.750000 Mg\n0.927281 0.572720 0.750000 Mg\n0.083365 0.416635 0.250000 V\n",
"nsites": 8,
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"elements": [
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"Mg",
"V"
],
"chemical_system": "Mg-Rb-V",
"density": 2.3227775905781014,
"density_atomic": 0.039648889745599464,
"volume": 201.7710975346517,
"volume_molar": 15.188674383167019,
"formula_full": "Rb1 Mg6 V1",
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"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-94089",
"created_at": "2022-09-04T14:36:02.778516Z",
"updated_at": "2022-09-04T14:36:02.778534Z",
"structure_string": "Rb1 Mg6 V1\n1.0\n7.603149 -2.037601 0.000000\n-5.566189 9.640921 0.000000\n0.000000 0.000000 3.381841\nRb Mg V\n1 6 1\ndirect\n0.250047 0.875024 0.250000 Rb\n0.749982 0.374999 0.250000 Mg\n0.749982 0.874983 0.250000 Mg\n0.249949 0.169107 0.750000 Mg\n0.249949 0.580844 0.750000 Mg\n0.838316 0.169158 0.750000 Mg\n0.661759 0.580880 0.750000 Mg\n0.250015 0.375007 0.250000 V\n",
"nsites": 8,
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],
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"density": 2.2366817103243273,
"density_atomic": 0.03817926730840235,
"volume": 209.53780844923105,
"volume_molar": 15.773327212789834,
"formula_full": "Rb1 Mg6 V1",
"formula_reduced": "RbMg6V",
"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-50452",
"created_at": "2022-09-04T14:37:16.136776Z",
"updated_at": "2022-09-04T14:37:16.136802Z",
"structure_string": "Rb8 Mg4 O8\n1.0\n5.533071 0.000000 0.000000\n-0.000000 6.289143 0.000000\n0.000000 0.000000 10.985222\nRb Mg O\n8 4 8\ndirect\n0.499850 0.637175 0.155026 Rb\n0.999849 0.362824 0.155026 Rb\n0.999849 0.862824 0.344974 Rb\n0.499850 0.137175 0.344974 Rb\n0.500150 0.862824 0.655026 Rb\n0.000150 0.137175 0.655026 Rb\n0.000150 0.637175 0.844974 Rb\n0.500150 0.362824 0.844974 Rb\n0.750000 0.499964 0.500000 Mg\n0.250000 0.500035 0.500000 Mg\n0.250000 0.000035 0.000000 Mg\n0.750000 0.999964 0.000000 Mg\n0.000030 0.829299 0.091178 O\n0.500030 0.170700 0.091178 O\n0.500030 0.670700 0.408822 O\n0.000030 0.329299 0.408822 O\n-0.000030 0.670700 0.591178 O\n0.499970 0.329299 0.591178 O\n0.499970 0.829299 0.908822 O\n-0.000030 0.170700 0.908822 O\n",
"nsites": 20,
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"elements": [
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"Mg",
"O"
],
"chemical_system": "Mg-O-Rb",
"density": 3.948445719078847,
"density_atomic": 0.052319483134811655,
"volume": 382.2667733254548,
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"formula_full": "Rb8 Mg4 O8",
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"formula_anonymous": "AB2C2",
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"spacegroup": 72
},
{
"id": "jvasp-121225",
"created_at": "2022-09-04T14:38:55.386928Z",
"updated_at": "2022-09-04T14:38:55.386947Z",
"structure_string": "Rb1 Mg1 O1\n1.0\n4.684472 0.000000 -0.000000\n-2.342236 4.056872 0.000000\n0.000000 0.000000 3.605413\nRb Mg O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.000000 O\n",
"nsites": 3,
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-121224",
"created_at": "2022-09-04T14:38:55.203781Z",
"updated_at": "2022-09-04T14:38:55.203816Z",
"structure_string": "Rb1 Mg1 O1\n1.0\n3.158549 0.950608 0.000000\n-0.466192 7.094712 0.000000\n0.000000 0.000000 3.978169\nRb Mg O\n1 1 1\ndirect\n0.449254 0.380017 0.000000 Rb\n-0.330110 -0.073156 0.000000 Mg\n0.101871 0.067176 0.000000 O\n",
"nsites": 3,
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"elements": [
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"formula_full": "Rb1 Mg1 O1",
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},
{
"id": "jvasp-121226",
"created_at": "2022-09-04T14:38:55.448120Z",
"updated_at": "2022-09-04T14:38:55.448153Z",
"structure_string": "Rb1 Mg1 O1\n1.0\n4.008860 -0.000000 0.000000\n-0.000000 4.008860 -0.000000\n0.000000 -0.000000 8.001736\nRb Mg O\n1 1 1\ndirect\n0.000000 0.000000 0.067614 Rb\n0.000000 0.000000 0.552861 Mg\n0.000000 0.000000 0.776184 O\n",
"nsites": 3,
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},
{
"id": "jvasp-92204",
"created_at": "2022-09-04T14:36:03.484053Z",
"updated_at": "2022-09-04T14:36:03.484085Z",
"structure_string": "Rb1 Mg6 Mo1\n1.0\n6.460775 0.002567 0.000000\n-3.228165 5.596478 0.000000\n0.000000 0.000000 5.127797\nRb Mg Mo\n1 6 1\ndirect\n0.083330 0.416671 0.250000 Rb\n0.117806 0.933871 0.250000 Mg\n0.566129 0.382195 0.250000 Mg\n0.566325 0.933676 0.250000 Mg\n0.435440 0.592926 0.750000 Mg\n0.907074 0.064561 0.750000 Mg\n0.907157 0.592844 0.750000 Mg\n0.416740 0.083260 0.750000 Mo\n",
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"formula_full": "Rb1 Mg6 Mo1",
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}