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{
"id": "jvasp-119018",
"created_at": "2022-09-04T14:38:51.129525Z",
"updated_at": "2022-09-04T14:38:51.129550Z",
"structure_string": "Er10 Sb2 Au4\n1.0\n7.053818 0.007280 -4.820218\n-1.961317 6.775665 -4.820218\n-0.005465 -0.007280 8.543466\nEr Sb Au\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 -0.000000 Er\n0.010189 0.510189 0.807696 Er\n0.702493 0.202493 0.192304 Er\n0.510189 0.702493 0.499999 Er\n0.202493 0.010190 0.500000 Er\n0.989810 0.489810 0.192303 Er\n0.297506 0.797506 0.807696 Er\n0.489810 0.297506 0.500000 Er\n0.797506 0.989810 0.499999 Er\n0.750000 0.750000 -0.000001 Sb\n0.250000 0.250000 -0.000000 Sb\n0.639363 0.139363 0.778726 Au\n0.360636 0.860636 0.221273 Au\n0.139363 0.360636 0.500000 Au\n0.860636 0.639363 0.499999 Au\n",
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{
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"created_at": "2022-09-04T14:38:32.591307Z",
"updated_at": "2022-09-04T14:38:32.591333Z",
"structure_string": "Y10 Si6 C2\n1.0\n8.440654 -0.000000 0.000000\n-4.220327 7.309821 0.000000\n-0.000000 -0.000000 6.420542\nY Si C\n10 6 2\ndirect\n0.666666 0.333333 -0.000000 Y\n-0.000000 0.776809 0.250000 Y\n0.223191 0.223191 0.250000 Y\n-0.000000 0.223191 0.750000 Y\n0.223191 0.000000 0.750000 Y\n0.776809 0.000000 0.250000 Y\n0.666666 0.333333 0.500000 Y\n0.333333 0.666667 0.500000 Y\n0.333333 0.666667 -0.000000 Y\n0.776809 0.776809 0.750000 Y\n0.409323 0.409323 0.750000 Si\n0.590677 0.000000 0.750000 Si\n-0.000000 0.590677 0.750000 Si\n0.590676 0.590677 0.250000 Si\n0.409323 0.000000 0.250000 Si\n-0.000000 0.409323 0.250000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "jvasp-119020",
"created_at": "2022-09-04T14:38:52.707100Z",
"updated_at": "2022-09-04T14:38:52.707121Z",
"structure_string": "Tm10 Ga6\n1.0\n8.427758 0.000000 0.000000\n-4.213880 7.298652 0.000000\n-0.000000 -0.000000 6.372901\nTm Ga\n10 6\ndirect\n0.666667 0.333333 -0.000000 Tm\n0.333333 0.666667 -0.000000 Tm\n0.333333 0.666667 0.500000 Tm\n0.666667 0.333333 0.500000 Tm\n0.757695 0.757694 0.750000 Tm\n0.242306 -0.000000 0.750000 Tm\n-0.000000 0.242305 0.750000 Tm\n0.242306 0.242305 0.250000 Tm\n0.757695 -0.000000 0.250000 Tm\n-0.000000 0.757694 0.250000 Tm\n0.400602 0.400602 0.750000 Ga\n0.599399 -0.000000 0.750000 Ga\n-0.000000 0.599398 0.750000 Ga\n0.599398 0.599398 0.250000 Ga\n0.400602 -0.000000 0.250000 Ga\n-0.000000 0.400602 0.250000 Ga\n",
"nsites": 16,
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"elements": [
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"density": 8.92815881841122,
"density_atomic": 0.040815779700677145,
"volume": 392.00525182505714,
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"formula_full": "Tm10 Ga6",
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"spacegroup": 193
},
{
"id": "jvasp-119021",
"created_at": "2022-09-04T14:38:51.184380Z",
"updated_at": "2022-09-04T14:38:51.184404Z",
"structure_string": "Dy4 Si10 Rh6\n1.0\n7.667109 0.000264 2.650977\n-1.398609 7.538465 2.650977\n0.005803 0.006979 5.720199\nDy Si Rh\n4 10 6\ndirect\n0.866369 0.598707 0.762793 Dy\n0.401292 0.133631 0.737209 Dy\n0.133631 0.401292 0.237209 Dy\n0.598707 0.866368 0.262793 Dy\n0.224255 0.775744 0.250001 Si\n0.775745 0.224255 0.750001 Si\n0.489233 0.510766 0.250001 Si\n0.510766 0.489233 0.750001 Si\n0.788476 0.211523 0.250001 Si\n0.265504 0.057845 0.337723 Si\n0.942155 0.734495 0.162279 Si\n0.734495 0.942154 0.662279 Si\n0.057845 0.265504 0.837723 Si\n0.211523 0.788476 0.750001 Si\n0.002118 0.997881 0.750001 Rh\n0.258035 0.538119 0.624517 Rh\n0.461880 0.741964 0.875485 Rh\n0.741964 0.461880 0.375485 Rh\n0.538120 0.258035 0.124517 Rh\n0.997882 0.002118 0.250001 Rh\n",
"nsites": 20,
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"elements": [
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"volume": 330.3358146297814,
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{
"id": "jvasp-119022",
"created_at": "2022-09-04T14:38:51.213261Z",
"updated_at": "2022-09-04T14:38:51.213301Z",
"structure_string": "Er2 B8 Ir8\n1.0\n5.403894 0.000000 0.000000\n0.000000 5.403894 0.000000\n0.000000 0.000000 7.474656\nEr B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.500000 0.828198 0.847607 B\n0.328199 0.000000 0.347607 B\n0.671800 0.000000 0.347607 B\n0.500000 0.171801 0.847607 B\n-0.000000 0.328199 0.652394 B\n0.171801 0.500000 0.152394 B\n0.828198 0.500000 0.152394 B\n-0.000000 0.671800 0.652394 B\n0.500000 0.749200 0.145295 Ir\n0.250799 0.500000 0.854705 Ir\n0.749200 0.500000 0.854705 Ir\n-0.000000 0.750799 0.354705 Ir\n-0.000000 0.249200 0.354705 Ir\n0.249200 0.000000 0.645296 Ir\n0.750799 0.000000 0.645296 Ir\n0.500000 0.250799 0.145295 Ir\n",
"nsites": 18,
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"elements": [
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"B",
"Ir"
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"density": 14.90120810042709,
"density_atomic": 0.08246461804081584,
"volume": 218.27543045298415,
"volume_molar": 7.302696481319229,
"formula_full": "Er2 B8 Ir8",
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"formula_anonymous": "AB4C4",
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"spacegroup": 137
},
{
"id": "jvasp-119023",
"created_at": "2022-09-04T14:38:32.674893Z",
"updated_at": "2022-09-04T14:38:32.674923Z",
"structure_string": "Fe3 Pb1 S2 O14\n1.0\n5.880092 -0.047955 3.651296\n2.006902 5.527217 3.651296\n-0.069028 -0.047955 6.921176\nFe Pb S O\n3 1 2 14\ndirect\n-0.000000 -0.000000 0.500001 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Pb\n0.691571 0.691570 0.691573 S\n0.308429 0.308428 0.308430 S\n0.265858 0.892414 0.265860 O\n0.107586 0.734141 0.734143 O\n0.734141 0.734141 0.107588 O\n0.734141 0.107585 0.734143 O\n0.517645 0.156244 0.156246 O\n0.156245 0.156244 0.517646 O\n0.843755 0.843755 0.482357 O\n0.482354 0.843755 0.843757 O\n0.265859 0.265858 0.892415 O\n0.843755 0.482354 0.843757 O\n0.391599 0.391599 0.391600 O\n0.608400 0.608400 0.608402 O\n0.156245 0.517645 0.156245 O\n0.892413 0.265858 0.265860 O\n",
"nsites": 20,
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"elements": [
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"S",
"O"
],
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"density": 4.834170406311556,
"density_atomic": 0.08783816787732095,
"volume": 227.6914521706893,
"volume_molar": 6.855949874103493,
"formula_full": "Fe3 Pb1 S2 O14",
"formula_reduced": "Fe3Pb(SO7)2",
"formula_anonymous": "AB2C3D14",
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"spacegroup": 166
},
{
"id": "jvasp-119025",
"created_at": "2022-09-04T14:38:32.716128Z",
"updated_at": "2022-09-04T14:38:32.716148Z",
"structure_string": "Tb10 Si6 B2\n1.0\n8.582402 0.000000 0.000000\n-4.291201 7.432578 0.000000\n-0.000000 -0.000000 6.360657\nTb Si B\n10 6 2\ndirect\n0.666667 0.333333 -0.000000 Tb\n0.000000 0.759720 0.250000 Tb\n0.240280 0.240280 0.250000 Tb\n0.000000 0.240280 0.750000 Tb\n0.240280 -0.000000 0.750000 Tb\n0.759720 -0.000000 0.250000 Tb\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.500000 Tb\n0.333333 0.666667 -0.000000 Tb\n0.759720 0.759720 0.750000 Tb\n0.398457 0.398457 0.750000 Si\n0.601543 -0.000000 0.750000 Si\n0.000000 0.601543 0.750000 Si\n0.601543 0.601543 0.250000 Si\n0.398457 -0.000000 0.250000 Si\n0.000000 0.398457 0.250000 Si\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Si",
"B"
],
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"density": 7.282316860279176,
"density_atomic": 0.04436313203778721,
"volume": 405.74231739698024,
"volume_molar": 13.574651931406732,
"formula_full": "Tb10 Si6 B2",
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"formula_anonymous": "AB3C5",
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"spacegroup": 193
},
{
"id": "jvasp-119026",
"created_at": "2022-09-04T14:38:32.746759Z",
"updated_at": "2022-09-04T14:38:32.746787Z",
"structure_string": "Tl2 Bi4 Cl14\n1.0\n6.546115 0.023358 2.113671\n1.924936 8.274065 2.146782\n0.033596 0.093729 10.699076\nTl Bi Cl\n2 4 14\ndirect\n0.082171 0.664766 0.129354 Tl\n0.917830 0.335235 0.870645 Tl\n0.319550 0.126354 0.166837 Bi\n0.680451 0.873647 0.833163 Bi\n0.416857 0.753265 0.534240 Bi\n0.583145 0.246736 0.465759 Bi\n0.306600 0.445049 0.626976 Cl\n0.693402 0.554952 0.373023 Cl\n0.730854 0.653377 0.667912 Cl\n0.269147 0.346624 0.332087 Cl\n0.644170 0.956168 0.349456 Cl\n0.355832 0.043833 0.650543 Cl\n0.091191 0.746148 0.802591 Cl\n0.164528 0.852125 0.366298 Cl\n0.362206 0.370324 0.970272 Cl\n0.908810 0.253853 0.197409 Cl\n0.255962 0.990580 0.985373 Cl\n0.744040 0.009421 0.014627 Cl\n0.835474 0.147876 0.633702 Cl\n0.637796 0.629677 0.029727 Cl\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.006222028933502,
"density_atomic": 0.03463256840055837,
"volume": 577.4910993802455,
"volume_molar": 17.388663440574934,
"formula_full": "Tl2 Bi4 Cl14",
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"spacegroup": 2
},
{
"id": "jvasp-119027",
"created_at": "2022-09-04T14:38:48.386380Z",
"updated_at": "2022-09-04T14:38:48.386410Z",
"structure_string": "Th6 In10\n1.0\n6.614867 0.015866 0.000000\n-1.396801 6.465730 0.000000\n0.000000 -0.000000 10.410589\nTh In\n6 10\ndirect\n0.123973 0.123973 0.750000 Th\n0.876027 0.876027 0.250000 Th\n0.708592 0.291408 -0.000000 Th\n0.708592 0.291408 0.500000 Th\n0.291408 0.708592 -0.000000 Th\n0.291408 0.708592 0.500000 Th\n0.510762 0.510762 0.750000 In\n0.489239 0.489239 0.250000 In\n0.803064 0.803064 0.548990 In\n0.196936 0.196936 0.451010 In\n0.803064 0.803064 0.951010 In\n0.196936 0.196936 0.048990 In\n0.992825 0.570621 0.750000 In\n0.429379 0.007176 0.250000 In\n0.007175 0.429379 0.250000 In\n0.570621 0.992825 0.750000 In\n",
"nsites": 16,
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"elements": [
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"density": 9.469208347440627,
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"volume": 445.4910243935455,
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"formula_full": "Th6 In10",
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},
{
"id": "jvasp-119028",
"created_at": "2022-09-04T14:38:51.238832Z",
"updated_at": "2022-09-04T14:38:51.238861Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n8.701868 -0.022627 0.000000\n-7.528570 4.363903 0.000000\n-0.000000 -0.000000 9.159704\nPr Zn Pb\n4 10 2\ndirect\n0.205237 0.794762 0.250000 Pr\n0.794762 0.205237 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.815040 0.184959 0.391137 Zn\n0.184959 0.815040 0.608862 Zn\n0.815040 0.184959 0.108862 Zn\n0.184959 0.815040 0.891137 Zn\n0.659083 0.340916 0.485688 Zn\n0.340916 0.659083 0.514311 Zn\n0.659083 0.340916 0.014311 Zn\n0.340916 0.659083 0.985688 Zn\n0.391688 0.608311 0.250000 Zn\n0.608311 0.391688 0.750000 Zn\n0.553730 0.446269 0.250000 Pb\n0.446269 0.553730 0.750000 Pb\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.046206551598608314,
"volume": 346.2712417708726,
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"formula_full": "Pr4 Zn10 Pb2",
"formula_reduced": "Pr2Zn5Pb",
"formula_anonymous": "AB2C5",
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},
{
"id": "jvasp-119029",
"created_at": "2022-09-04T14:38:52.775909Z",
"updated_at": "2022-09-04T14:38:52.775945Z",
"structure_string": "Pr10 Sn6\n1.0\n9.361059 -0.000000 0.000000\n-4.680529 8.106915 0.000000\n-0.000000 -0.000000 6.853876\nPr Sn\n10 6\ndirect\n0.666667 0.333333 0.500000 Pr\n0.333333 0.666666 0.500000 Pr\n0.333333 0.666666 -0.000000 Pr\n0.666667 0.333333 -0.000000 Pr\n0.756267 0.756266 0.250000 Pr\n0.243733 0.000000 0.250000 Pr\n-0.000000 0.243733 0.250000 Pr\n0.243733 0.243733 0.750000 Pr\n0.756267 0.000000 0.750000 Pr\n-0.000000 0.756266 0.750000 Pr\n0.392525 0.392525 0.250000 Sn\n0.607475 0.000000 0.250000 Sn\n-0.000000 0.607474 0.250000 Sn\n0.607474 0.607474 0.750000 Sn\n0.392526 0.000000 0.750000 Sn\n-0.000000 0.392525 0.750000 Sn\n",
"nsites": 16,
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"volume": 520.1359178815459,
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"formula_full": "Pr10 Sn6",
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"spacegroup": 193
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{
"id": "jvasp-119030",
"created_at": "2022-09-04T14:38:32.948373Z",
"updated_at": "2022-09-04T14:38:32.948395Z",
"structure_string": "Na6 Np2 O12\n1.0\n5.449156 -0.032323 1.841900\n2.440198 4.872349 1.841900\n-0.533326 -0.327189 10.528091\nNa Np O\n6 2 12\ndirect\n0.739825 0.240042 0.455221 Na\n0.240042 0.739826 -0.044779 Na\n0.132750 0.632922 0.276355 Na\n0.996434 0.496536 0.685709 Na\n0.632921 0.132750 0.776355 Na\n0.496536 0.996435 0.185709 Na\n0.386196 -0.113620 0.516096 Np\n-0.113620 0.386197 0.016096 Np\n0.039354 0.903753 0.624457 O\n0.386102 0.671120 0.399195 O\n0.107759 0.403481 0.124467 O\n-0.113848 0.718298 0.899217 O\n0.403480 0.107759 0.624467 O\n0.607286 0.539679 0.624569 O\n0.539678 0.607287 0.124569 O\n0.218353 0.171168 0.899136 O\n0.671120 0.386103 0.899195 O\n0.171167 0.218353 0.399136 O\n0.718298 -0.113847 0.399217 O\n0.903753 0.039355 0.124457 O\n",
"nsites": 20,
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"elements": [
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"spacegroup": 161
}
]
}