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{
"id": "jvasp-116825",
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"updated_at": "2022-09-04T14:38:45.490330Z",
"structure_string": "Li3 V2 C4 O12\n1.0\n4.944287 -0.013822 1.560300\n2.406969 5.637741 0.700112\n-0.022753 0.034297 8.527299\nLi V C O\n3 2 4 12\ndirect\n0.262399 0.524332 0.148120 Li\n0.163043 0.054202 0.333944 Li\n0.554941 0.933921 0.683700 Li\n0.887338 0.998375 0.997623 V\n0.630321 0.503692 0.508569 V\n0.742087 0.397101 0.207135 C\n0.722716 0.893962 0.299622 C\n0.917991 0.113304 0.705190 C\n0.332730 0.606684 0.793390 C\n0.695562 0.079477 0.810118 O\n0.242636 0.565550 0.678038 O\n0.598607 0.601180 0.747887 O\n0.908966 0.172293 0.554489 O\n0.618853 0.842834 0.450587 O\n0.982740 0.898205 0.241031 O\n0.959285 0.396793 0.255323 O\n0.567880 0.943696 0.195419 O\n0.135978 0.079242 0.759958 O\n0.762401 0.340302 0.063028 O\n0.489248 0.458359 0.318810 O\n0.167709 0.656962 0.943506 O\n",
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{
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"structure_string": "Ba4 Ga1 Se1\n1.0\n0.000000 4.920028 4.920028\n4.920028 0.000000 4.920028\n4.920028 4.920028 -0.000000\nBa Ga Se\n4 1 1\ndirect\n0.122410 0.625863 0.625863 Ba\n0.625863 0.625863 0.625863 Ba\n0.625863 0.122410 0.625863 Ba\n0.625863 0.625863 0.122410 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Se\n",
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{
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"structure_string": "U1 Fe4 P12\n1.0\n6.377031 0.000000 -2.254621\n-3.188516 5.522672 -2.254621\n-0.000000 -0.000000 6.763863\nU Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 U\n-0.000000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n0.849435 0.501911 0.652475 P\n0.652475 0.150564 0.803039 P\n0.849435 0.196961 0.347525 P\n0.501910 0.652475 0.849435 P\n0.347524 0.849436 0.196960 P\n0.498088 0.347525 0.150564 P\n0.150564 0.498088 0.347525 P\n0.347525 0.150564 0.498088 P\n0.196960 0.347525 0.849435 P\n0.803039 0.652475 0.150564 P\n0.150564 0.803039 0.652475 P\n0.652474 0.849436 0.501910 P\n",
"nsites": 17,
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"formula_full": "U1 Fe4 P12",
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{
"id": "jvasp-111518",
"created_at": "2022-09-04T14:38:40.377174Z",
"updated_at": "2022-09-04T14:38:40.377190Z",
"structure_string": "Fe2 Ni2 P12\n1.0\n5.525163 0.000906 3.895245\n-0.002856 5.525162 3.895245\n0.000575 0.000575 7.804018\nFe Ni P\n2 2 12\ndirect\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.499999 0.000001 0.500000 Ni\n-0.000001 0.500000 0.500000 Ni\n0.656591 0.656593 0.197056 P\n0.343407 0.343409 0.802943 P\n0.646872 0.646874 0.497108 P\n0.353126 0.353127 0.502892 P\n0.860727 0.150970 0.342763 P\n0.139270 0.849031 0.657237 P\n0.150968 0.860729 0.342763 P\n0.849030 0.139273 0.657236 P\n0.493437 0.796371 0.860493 P\n0.506560 0.203630 0.139506 P\n0.203629 0.506561 0.139507 P\n0.796369 0.493440 0.860493 P\n",
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{
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"created_at": "2022-09-04T14:38:09.670172Z",
"updated_at": "2022-09-04T14:38:09.670200Z",
"structure_string": "Cr4 O12\n1.0\n6.634175 0.013045 -0.109986\n-0.667180 6.600554 0.109986\n-1.441751 1.300792 5.482363\nCr O\n4 12\ndirect\n0.193963 0.621874 0.764650 Cr\n0.378125 0.806036 0.264651 Cr\n0.621875 0.193963 0.735349 Cr\n0.806037 0.378124 0.235349 Cr\n0.012438 0.783721 0.660873 O\n0.091284 0.391521 0.807006 O\n0.216279 0.987561 0.160873 O\n0.346274 0.648814 0.550324 O\n0.391522 0.091283 0.692994 O\n0.351186 0.653726 0.050325 O\n0.648815 0.346273 0.949675 O\n0.608479 0.908715 0.307006 O\n0.653727 0.351185 0.449675 O\n0.783722 0.012437 0.839126 O\n0.908717 0.608477 0.192994 O\n0.987563 0.216278 0.339126 O\n",
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{
"id": "jvasp-98480",
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"structure_string": "Ba2 Fe4 S6\n1.0\n5.164670 -0.000000 -0.000000\n0.000000 6.693723 -1.477105\n-0.000000 0.172292 6.852597\nBa Fe S\n2 4 6\ndirect\n0.250000 0.320962 0.679038 Ba\n0.750000 0.679037 0.320962 Ba\n0.000000 0.854433 0.854433 Fe\n0.000000 0.145566 0.145566 Fe\n0.500000 0.145566 0.145566 Fe\n0.500000 0.854433 0.854433 Fe\n0.750000 0.178741 0.402868 S\n0.250000 0.821258 0.597132 S\n0.250000 0.402867 0.178741 S\n0.750000 0.597132 0.821258 S\n0.750000 0.112497 0.887503 S\n0.250000 0.887503 0.112496 S\n",
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{
"id": "jvasp-63974",
"created_at": "2022-09-04T14:36:01.635014Z",
"updated_at": "2022-09-04T14:36:01.635047Z",
"structure_string": "Ba4 Te1 W1\n1.0\n-0.000000 4.920206 4.920206\n4.920206 0.000000 4.920206\n4.920206 4.920206 0.000000\nBa Te W\n4 1 1\ndirect\n0.124102 0.625300 0.625300 Ba\n0.625300 0.625300 0.625300 Ba\n0.625300 0.124102 0.625300 Ba\n0.625300 0.625300 0.124102 Ba\n0.250000 0.250000 0.250000 Te\n0.000000 0.000000 0.000000 W\n",
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"volume": 238.22089636312825,
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{
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"created_at": "2022-09-04T14:36:03.453570Z",
"updated_at": "2022-09-04T14:36:03.453596Z",
"structure_string": "Ba4 Ti1 Si1\n1.0\n0.000000 4.920265 4.920265\n4.920265 -0.000000 4.920265\n4.920265 4.920265 0.000000\nBa Ti Si\n4 1 1\ndirect\n0.127390 0.624203 0.624203 Ba\n0.624203 0.624203 0.624203 Ba\n0.624203 0.127390 0.624203 Ba\n0.624203 0.624203 0.127390 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Si\n",
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{
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"structure_string": "Mn6 Co2 O16\n1.0\n2.830596 -4.902735 -0.000000\n2.830596 4.902735 -0.000000\n-0.000000 0.000000 8.583294\nMn Co O\n6 2 16\ndirect\n0.167204 0.334407 0.208870 Mn\n0.665594 0.832798 0.208870 Mn\n0.167204 0.832798 0.208870 Mn\n0.832798 0.167204 0.708870 Mn\n0.334407 0.167204 0.708870 Mn\n0.832798 0.665594 0.708870 Mn\n0.333334 0.666668 0.486816 Co\n0.666668 0.333334 0.986816 Co\n0.337143 0.168572 0.101205 O\n0.666668 0.333334 0.594880 O\n0.955792 0.477896 0.841759 O\n0.522105 0.044209 0.841759 O\n0.168572 0.831430 0.601205 O\n0.831430 0.168572 0.101205 O\n0.477896 0.955792 0.341760 O\n0.000000 0.000000 0.320648 O\n0.662858 0.831430 0.601205 O\n0.000000 0.000000 0.820647 O\n0.522105 0.477896 0.841759 O\n0.333334 0.666668 0.094880 O\n0.477896 0.522105 0.341760 O\n0.168572 0.337143 0.601205 O\n0.044209 0.522105 0.341760 O\n0.831430 0.662858 0.101205 O\n",
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"created_at": "2022-09-04T14:35:48.269144Z",
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"structure_string": "Ba4 Fe1 Te1\n1.0\n0.000000 4.920378 4.920378\n4.920378 0.000000 4.920378\n4.920378 4.920378 0.000000\nBa Fe Te\n4 1 1\ndirect\n0.125314 0.624895 0.624895 Ba\n0.624895 0.624895 0.624895 Ba\n0.624895 0.125314 0.624895 Ba\n0.624895 0.624895 0.125314 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Te\n",
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"structure_string": "Li8 Nb1 S6\n1.0\n6.697361 -0.000000 -0.000000\n-3.348680 1.933362 6.133890\n3.348680 -5.800084 0.000000\nLi Nb S\n8 1 6\ndirect\n0.109293 0.360260 0.475910 Li\n0.524089 0.639740 0.224944 Li\n0.224945 0.639740 0.890706 Li\n0.336798 0.010392 0.336797 Li\n0.663202 0.989608 0.663202 Li\n0.775056 0.360260 0.109293 Li\n0.475911 0.360260 0.775055 Li\n0.890707 0.639740 0.524089 Li\n0.000000 0.000000 0.000000 Nb\n0.239935 0.765463 0.611118 S\n0.388882 0.234537 0.085591 S\n0.085591 0.234537 0.760065 S\n0.914409 0.765463 0.239935 S\n0.611118 0.765463 0.914409 S\n0.760065 0.234537 0.388881 S\n",
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{
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"created_at": "2022-09-04T14:35:44.403084Z",
"updated_at": "2022-09-04T14:35:44.403103Z",
"structure_string": "Ba4 Ti1 Fe1\n1.0\n-0.000000 4.920580 4.920580\n4.920580 0.000000 4.920580\n4.920580 4.920580 0.000000\nBa Ti Fe\n4 1 1\ndirect\n0.126548 0.624484 0.624484 Ba\n0.624484 0.624484 0.624484 Ba\n0.624484 0.126548 0.624484 Ba\n0.624484 0.624484 0.126548 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n",
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]
}