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{
"id": "jvasp-11580",
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"structure_string": "Sr4 Mg1 Cr2 S2 O6\n1.0\n3.896410 0.000000 0.000000\n-0.000000 3.896410 0.000000\n-0.000000 -0.000000 15.932712\nSr Mg Cr S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.191707 Sr\n0.500000 0.000000 0.808293 Sr\n0.000000 0.500000 0.413863 Sr\n0.500000 0.000000 0.586137 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.312760 Cr\n0.000000 0.500000 0.687240 Cr\n0.500000 0.000000 0.097284 S\n0.000000 0.500000 0.902716 S\n0.500000 0.500000 0.294072 O\n0.000000 0.000000 0.293367 O\n0.000000 0.000000 0.706633 O\n0.500000 0.500000 0.705928 O\n0.500000 0.000000 0.431355 O\n0.000000 0.500000 0.568645 O\n",
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{
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"structure_string": "Sr4 Mg1 Co2 S2 O6\n1.0\n3.809871 0.000000 0.000000\n0.000000 3.809914 0.000000\n0.000000 0.000000 16.306835\nSr Mg Co S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.192460 Sr\n0.500000 0.000000 0.807540 Sr\n0.000000 0.500000 0.416120 Sr\n0.500000 0.000000 0.583876 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.310154 Co\n0.000000 0.500000 0.689849 Co\n0.500000 0.000000 0.096766 S\n0.000000 0.500000 0.903237 S\n0.000000 0.000000 0.295419 O\n0.500000 0.500000 0.294404 O\n0.500000 0.500000 0.705582 O\n0.000000 0.000000 0.704591 O\n0.500000 0.000000 0.432335 O\n0.000000 0.500000 0.567667 O\n",
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{
"id": "jvasp-112989",
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"structure_string": "Sr4 Lu8 Se16\n1.0\n4.066101 -0.000000 0.000000\n0.000000 12.470250 0.000000\n-0.000000 -0.000000 14.723941\nSr Lu Se\n4 8 16\ndirect\n0.250000 0.760692 0.333097 Sr\n0.250000 0.260692 0.166903 Sr\n0.750000 0.239308 0.666903 Sr\n0.750000 0.739308 0.833097 Sr\n0.750000 0.083243 0.402750 Lu\n0.750000 0.583243 0.097250 Lu\n0.250000 0.416757 0.902750 Lu\n0.250000 0.916757 0.597250 Lu\n0.750000 0.559949 0.610690 Lu\n0.250000 0.940051 0.110690 Lu\n0.250000 0.440051 0.389310 Lu\n0.750000 0.059949 0.889310 Lu\n0.250000 0.028336 0.284465 Se\n0.250000 0.908556 0.923891 Se\n0.250000 0.408556 0.576109 Se\n0.750000 0.471664 0.784465 Se\n0.750000 0.971664 0.715535 Se\n0.250000 0.528336 0.215535 Se\n0.750000 0.372232 0.030344 Se\n0.250000 0.704324 0.666976 Se\n0.250000 0.627768 0.969656 Se\n0.250000 0.127768 0.530344 Se\n0.750000 0.295676 0.333024 Se\n0.750000 0.795676 0.166976 Se\n0.750000 0.591444 0.423891 Se\n0.250000 0.204324 0.833024 Se\n0.750000 0.872232 0.469656 Se\n0.750000 0.091444 0.076109 Se\n",
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{
"id": "jvasp-44550",
"created_at": "2022-09-04T14:37:54.341476Z",
"updated_at": "2022-09-04T14:37:54.341493Z",
"structure_string": "Sr4 Lu8 O16\n1.0\n3.327710 -0.000000 0.000000\n0.000000 9.952671 0.000000\n0.000000 0.000000 11.711247\nSr Lu O\n4 8 16\ndirect\n0.750000 0.246358 0.650882 Sr\n0.250000 0.253642 0.150881 Sr\n0.750000 0.746358 0.849119 Sr\n0.250000 0.753642 0.349119 Sr\n0.250000 0.926370 0.111865 Lu\n0.250000 0.921518 0.608725 Lu\n0.750000 0.573630 0.611865 Lu\n0.750000 0.578482 0.108725 Lu\n0.250000 0.421518 0.891275 Lu\n0.750000 0.078482 0.391275 Lu\n0.750000 0.073630 0.888135 Lu\n0.250000 0.426370 0.388135 Lu\n0.250000 0.518029 0.216723 O\n0.750000 0.878268 0.479875 O\n0.750000 0.790163 0.168547 O\n0.250000 0.709837 0.668547 O\n0.250000 0.621732 0.979875 O\n0.750000 0.574968 0.423969 O\n0.750000 0.481971 0.783277 O\n0.750000 0.074968 0.076031 O\n0.750000 0.378268 0.020125 O\n0.750000 0.290163 0.331453 O\n0.250000 0.209837 0.831453 O\n0.250000 0.121732 0.520125 O\n0.250000 0.925032 0.923969 O\n0.250000 0.018029 0.283277 O\n0.250000 0.425032 0.576032 O\n0.750000 0.981971 0.716723 O\n",
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{
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"created_at": "2022-09-04T14:38:43.620408Z",
"updated_at": "2022-09-04T14:38:43.620429Z",
"structure_string": "Sr4 Lu2 Ta2 O12\n1.0\n5.854099 -0.000000 0.000000\n0.000000 5.854055 0.000000\n-0.000000 -0.000000 8.278950\nSr Lu Ta O\n4 2 2 12\ndirect\n0.003718 0.499943 0.250004 Sr\n0.003718 0.500056 0.749996 Sr\n0.503718 0.999943 0.249996 Sr\n0.503718 0.000056 0.750004 Sr\n0.003320 0.000000 -0.000000 Lu\n0.503320 0.500000 0.500000 Lu\n0.003266 0.000000 0.500000 Ta\n0.503266 0.500000 -0.000000 Ta\n0.262696 0.740198 -0.000035 O\n0.262696 0.259801 0.000035 O\n0.743357 0.259509 0.000005 O\n0.743357 0.740491 -0.000005 O\n0.243357 0.759508 0.499995 O\n0.503036 0.499954 0.759660 O\n0.003036 0.999954 0.740340 O\n0.003036 0.000046 0.259660 O\n0.762696 0.759801 0.499965 O\n0.503036 0.500045 0.240340 O\n0.243357 0.240491 0.500005 O\n0.762696 0.240198 0.500035 O\n",
"nsites": 20,
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"density": 7.341068649932518,
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"volume": 283.72141734916704,
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{
"id": "jvasp-55618",
"created_at": "2022-09-04T14:36:44.956199Z",
"updated_at": "2022-09-04T14:36:44.956222Z",
"structure_string": "Sr4 Lu2 Bi2 O12\n1.0\n0.000000 5.891334 0.002603\n5.998500 0.000000 0.000000\n0.000000 -5.881086 -8.384524\nSr Lu Bi O\n4 2 2 12\ndirect\n0.239679 0.542923 0.250078 Sr\n0.760320 0.042923 0.249922 Sr\n0.239679 0.957077 0.750078 Sr\n0.760319 0.457077 0.749922 Sr\n0.500000 0.500000 0.000000 Lu\n0.499999 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Bi\n-0.000001 0.500000 0.500000 Bi\n0.663103 0.470570 0.252579 O\n0.336897 0.970570 0.247421 O\n0.155035 0.709570 0.952312 O\n0.844963 0.209570 0.547688 O\n0.844963 0.290430 0.047688 O\n0.755774 0.794502 0.047033 O\n0.244224 0.205498 0.952967 O\n0.755774 0.705498 0.547033 O\n0.663102 0.029430 0.752579 O\n0.244225 0.294502 0.452967 O\n0.155036 0.790430 0.452312 O\n0.336896 0.529430 0.747421 O\n",
"nsites": 20,
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"density": 7.3458513803587575,
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{
"id": "jvasp-10174",
"created_at": "2022-09-04T14:37:19.690414Z",
"updated_at": "2022-09-04T14:37:19.690434Z",
"structure_string": "Sr4 Li4 Sb4\n1.0\n4.814075 -0.000000 0.000000\n0.000000 8.038195 0.000000\n0.000000 0.000000 8.435191\nSr Li Sb\n4 4 4\ndirect\n0.750001 0.996832 0.291783 Sr\n0.250000 0.003167 0.708217 Sr\n0.750001 0.496833 0.208217 Sr\n0.250000 0.503167 0.791783 Sr\n0.750001 0.839421 0.924087 Li\n0.250000 0.160578 0.075913 Li\n0.750001 0.339422 0.575913 Li\n0.250000 0.660578 0.424087 Li\n0.250000 0.776611 0.093060 Sb\n0.750001 0.223389 0.906939 Sb\n0.250000 0.276611 0.406939 Sb\n0.750001 0.723388 0.593060 Sb\n",
"nsites": 12,
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"density_atomic": 0.03676333786751491,
"volume": 326.4121457971184,
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"formula_full": "Sr4 Li4 Sb4",
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{
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"structure_string": "Sr4 Li4 Ni2 O8\n1.0\n5.346437 0.002674 -0.041830\n-0.769044 5.436157 0.000131\n-0.997971 -2.444380 7.917359\nSr Li Ni O\n4 4 2 8\ndirect\n0.272653 0.782010 0.023117 Sr\n0.832710 0.845788 0.305236 Sr\n0.167291 0.154212 0.694764 Sr\n0.727349 0.217989 0.976883 Sr\n0.801478 0.377704 0.454426 Li\n0.413425 0.117257 0.412054 Li\n0.586576 0.882743 0.587946 Li\n0.198523 0.622296 0.545574 Li\n0.708839 0.608353 0.756125 Ni\n0.291162 0.391647 0.243875 Ni\n0.576496 0.189207 0.239301 O\n0.212267 0.297572 0.997894 O\n0.126665 0.269928 0.423860 O\n0.323850 0.757678 0.360925 O\n0.676152 0.242322 0.639075 O\n0.873337 0.730072 0.576140 O\n0.787735 0.702428 0.002106 O\n0.423506 0.810793 0.760699 O\n",
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"volume": 229.82310999896606,
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{
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"created_at": "2022-09-04T14:37:36.395768Z",
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"structure_string": "Sr4 Li4 Ge8\n1.0\n4.450838 -0.000000 0.000000\n-0.000000 7.194147 0.000000\n0.000000 0.000000 11.560444\nSr Li Ge\n4 4 8\ndirect\n0.250000 0.637611 0.355219 Sr\n0.750000 0.362389 0.644781 Sr\n0.250000 0.137611 0.144781 Sr\n0.750000 0.862390 0.855219 Sr\n0.250000 0.625267 0.060800 Li\n0.750000 0.374734 0.939199 Li\n0.250000 0.125266 0.439199 Li\n0.750000 0.874734 0.560800 Li\n0.750000 0.963105 0.340321 Ge\n0.250000 0.036895 0.659678 Ge\n0.750000 0.463105 0.159679 Ge\n0.250000 0.536896 0.840321 Ge\n0.750000 0.810573 0.141664 Ge\n0.250000 0.189427 0.858335 Ge\n0.750000 0.310573 0.358335 Ge\n0.250000 0.689428 0.641664 Ge\n",
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"formula_full": "Sr4 Li4 Ge8",
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{
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"updated_at": "2022-09-04T14:36:07.889159Z",
"structure_string": "Sr4 Li4 Fe4 F24\n1.0\n5.227057 0.000000 -0.194495\n0.000000 8.676328 0.000000\n0.020553 0.000000 10.260154\nSr Li Fe F\n4 4 4 24\ndirect\n0.251928 0.285767 0.499857 Sr\n0.748073 0.785767 0.000143 Sr\n0.251927 0.214234 0.999856 Sr\n0.748072 0.714234 0.500143 Sr\n0.285684 0.919385 0.740075 Li\n0.714316 0.419385 0.759924 Li\n0.714316 0.080615 0.259924 Li\n0.285684 0.580615 0.240075 Li\n0.784466 0.417601 0.250304 Fe\n0.215534 0.917601 0.249695 Fe\n0.784466 0.082399 0.750304 Fe\n0.215534 0.582399 0.749695 Fe\n0.074485 0.092921 0.648381 F\n0.490023 0.547074 0.638313 F\n0.391997 0.773812 0.353078 F\n0.509977 0.452927 0.361686 F\n0.006426 0.457516 0.638880 F\n0.074486 0.407079 0.148382 F\n0.608003 0.226188 0.646922 F\n0.006426 0.042485 0.138880 F\n0.364382 0.420485 0.847813 F\n0.993574 0.542485 0.361119 F\n0.880103 0.247889 0.354216 F\n0.635617 0.579516 0.152186 F\n0.993574 0.957516 0.861119 F\n0.490023 0.952927 0.138313 F\n0.635617 0.920485 0.652186 F\n0.364383 0.079516 0.347813 F\n0.119897 0.752112 0.645784 F\n0.509976 0.047074 0.861686 F\n0.880103 0.252111 0.854215 F\n0.925515 0.907079 0.351618 F\n0.119897 0.747889 0.145784 F\n0.391996 0.726188 0.853077 F\n0.925514 0.592921 0.851618 F\n0.608004 0.273812 0.146922 F\n",
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"density": 3.7738550114560403,
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"volume": 465.3497093216183,
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"formula_full": "Sr4 Li4 Fe4 F24",
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{
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"created_at": "2022-09-04T14:35:56.535629Z",
"updated_at": "2022-09-04T14:35:56.535657Z",
"structure_string": "Sr4 Li4 Co4 F24\n1.0\n5.202844 0.000000 -0.184147\n0.000000 8.663208 0.000000\n0.028578 0.000000 10.249571\nSr Li Co F\n4 4 4 24\ndirect\n0.253280 0.283541 0.500287 Sr\n0.746719 0.783541 -0.000287 Sr\n0.253280 0.216459 0.000287 Sr\n0.746720 0.716459 0.499713 Sr\n0.284290 0.918701 0.740088 Li\n0.715710 0.418701 0.759912 Li\n0.715710 0.081299 0.259912 Li\n0.284289 0.581299 0.240088 Li\n0.783361 0.418043 0.251684 Co\n0.216639 0.918043 0.248316 Co\n0.783361 0.081957 0.751684 Co\n0.216639 0.581957 0.748316 Co\n0.072139 0.092563 0.649546 F\n0.491118 0.547258 0.638263 F\n0.391676 0.774943 0.351225 F\n0.508881 0.452742 0.361737 F\n0.009587 0.456542 0.639448 F\n0.072139 0.407437 0.149546 F\n0.608323 0.225057 0.648774 F\n0.009587 0.043458 0.139448 F\n0.363902 0.421542 0.847116 F\n0.990412 0.543458 0.360551 F\n0.879637 0.249553 0.354967 F\n0.636097 0.578458 0.152884 F\n0.990412 0.956542 0.860551 F\n0.491118 0.952742 0.138263 F\n0.636098 0.921542 0.652884 F\n0.363902 0.078458 0.347116 F\n0.120363 0.750448 0.645033 F\n0.508882 0.047258 0.861737 F\n0.879637 0.250448 0.854967 F\n0.927861 0.907437 0.350454 F\n0.120363 0.749553 0.145033 F\n0.391677 0.725058 0.851225 F\n0.927861 0.592564 0.850454 F\n0.608323 0.274943 0.148774 F\n",
"nsites": 36,
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"elements": [
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],
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"volume": 462.0277817131848,
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"formula_full": "Sr4 Li4 Co4 F24",
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{
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"created_at": "2022-09-04T14:36:36.777873Z",
"updated_at": "2022-09-04T14:36:36.777888Z",
"structure_string": "Sr4 Li4 Bi4\n1.0\n4.910787 -0.000000 0.000000\n0.000000 8.178515 0.000000\n0.000000 0.000000 8.621142\nSr Li Bi\n4 4 4\ndirect\n0.750001 0.496337 0.707691 Sr\n0.250000 0.503662 0.292309 Sr\n0.750001 0.996337 0.792308 Sr\n0.250000 0.003662 0.207691 Sr\n0.750001 0.339662 0.075616 Li\n0.250000 0.660338 0.924384 Li\n0.750001 0.839662 0.424384 Li\n0.250000 0.160338 0.575616 Li\n0.750001 0.723857 0.093627 Bi\n0.250000 0.276143 0.906373 Bi\n0.750001 0.223857 0.406373 Bi\n0.250000 0.776142 0.593627 Bi\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Bi"
],
"chemical_system": "Bi-Li-Sr",
"density": 5.822864326907035,
"density_atomic": 0.03465699434917436,
"volume": 346.25045320140055,
"volume_molar": 17.376408061605225,
"formula_full": "Sr4 Li4 Bi4",
"formula_reduced": "SrLiBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.00096687,
"spacegroup": 62
}
]
}