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{
"id": "jvasp-12144",
"created_at": "2022-09-04T14:37:33.354344Z",
"updated_at": "2022-09-04T14:37:33.354366Z",
"structure_string": "Sb2 Te1 Se2\n1.0\n4.044627 -0.026654 9.227801\n1.912081 3.564220 9.227801\n-0.044881 -0.026654 10.075184\nSb Te Se\n2 1 2\ndirect\n0.595653 0.595655 0.595652 Sb\n0.404346 0.404347 0.404346 Sb\n0.000000 0.000000 0.000000 Te\n0.210861 0.210862 0.210861 Se\n0.789138 0.789140 0.789137 Se\n",
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"structure_string": "Co2 Se2\n1.0\n3.641835 0.000000 0.000000\n-0.000000 3.641835 0.000000\n0.000000 0.000000 5.441973\nCo Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.499999 0.000000 Co\n0.499999 0.000000 0.735798 Se\n0.000000 0.499999 0.264202 Se\n",
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{
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"structure_string": "Nb4 Fe4 Te8\n1.0\n6.352178 -0.000000 0.000000\n0.000000 7.448612 0.000000\n0.000000 0.000000 7.983955\nNb Fe Te\n4 4 8\ndirect\n0.500000 0.500000 0.704000 Nb\n0.000000 0.500000 0.204000 Nb\n0.000000 0.500000 0.795999 Nb\n0.500000 0.500000 0.296000 Nb\n0.140227 0.610257 0.500000 Fe\n0.640227 0.389743 0.000000 Fe\n0.859773 0.389743 0.500000 Fe\n0.359773 0.610257 0.000000 Fe\n0.750000 0.183224 0.250000 Te\n0.246933 0.271800 0.000000 Te\n0.753067 0.728200 0.000000 Te\n0.250000 0.816776 0.250000 Te\n0.746933 0.728200 0.500000 Te\n0.253067 0.271800 0.500000 Te\n0.250000 0.816776 0.750000 Te\n0.750000 0.183224 0.750000 Te\n",
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"formula_full": "Nb4 Fe4 Te8",
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{
"id": "jvasp-12150",
"created_at": "2022-09-04T14:36:06.640286Z",
"updated_at": "2022-09-04T14:36:06.640307Z",
"structure_string": "Sc2 H2 O4\n1.0\n1.832088 5.507571 1.070665\n-1.993829 5.472690 0.656907\n0.581464 0.460183 3.776851\nSc H O\n2 2 4\ndirect\n0.444217 0.800671 0.330912 Sc\n0.580365 0.164514 0.694770 Sc\n0.060669 0.467559 0.448960 H\n-0.018237 0.046434 0.027854 H\n0.348481 0.248617 0.279741 O\n0.643830 0.755725 0.733377 O\n-0.118576 0.215644 0.246805 O\n0.137500 0.762072 0.739675 O\n",
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"volume": 76.50306740114084,
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"formula_full": "Sc2 H2 O4",
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"spacegroup": 9
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{
"id": "jvasp-12151",
"created_at": "2022-09-04T14:36:14.036322Z",
"updated_at": "2022-09-04T14:36:14.036336Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.561230 0.901376 5.973387\n-1.561230 0.901376 5.973387\n-0.000000 -1.802752 5.973387\nNi H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.556088 0.556088 0.556084 H\n0.443915 0.443915 0.443912 H\n0.610484 0.610484 0.610480 O\n0.389519 0.389519 0.389516 O\n",
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{
"id": "jvasp-12152",
"created_at": "2022-09-04T14:35:43.887366Z",
"updated_at": "2022-09-04T14:35:43.887396Z",
"structure_string": "Zr1 Mo2 O8\n1.0\n4.469426 -0.105698 0.013337\n0.116023 5.425416 2.990657\n-0.018935 0.123036 6.194928\nZr Mo O\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.838343 0.333295 0.333295 Mo\n0.161658 0.666706 0.666706 Mo\n0.752799 0.663309 0.168255 O\n0.247202 0.831746 0.336692 O\n0.247202 0.336692 0.831746 O\n0.247289 0.831755 0.831754 O\n0.752712 0.168246 0.168246 O\n0.222078 0.333360 0.333359 O\n0.777923 0.666641 0.666641 O\n0.752799 0.168255 0.663309 O\n",
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"volume": 148.6566363608752,
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{
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"created_at": "2022-09-04T14:36:13.926366Z",
"updated_at": "2022-09-04T14:36:13.926393Z",
"structure_string": "Y2 C2 Br2\n1.0\n3.440916 1.892797 -0.598883\n-3.440916 1.892797 0.598883\n0.014698 0.000000 9.960681\nY C Br\n2 2 2\ndirect\n0.589511 0.410490 0.850795 Y\n0.410490 0.589511 0.149205 Y\n0.912727 0.087274 0.961390 C\n0.087274 0.912727 0.038610 C\n0.201506 0.798496 0.660155 Br\n0.798496 0.201506 0.339845 Br\n",
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{
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"created_at": "2022-09-04T14:35:52.458263Z",
"updated_at": "2022-09-04T14:35:52.458292Z",
"structure_string": "V2 Ag2 P4 S12\n1.0\n5.903480 0.045983 0.000000\n-1.871217 6.453409 0.000000\n0.000000 0.000000 10.767942\nV Ag P S\n2 2 4 12\ndirect\n0.750000 -0.000000 0.928928 V\n0.250000 -0.000000 0.071071 V\n0.250000 -0.000000 0.435723 Ag\n0.750000 -0.000000 0.564277 Ag\n0.295659 0.172965 0.750788 P\n0.204340 0.827035 0.750788 P\n0.704340 0.827035 0.249212 P\n0.795659 0.172965 0.249212 P\n0.519893 0.711696 0.398504 S\n0.980328 0.238620 0.770652 S\n0.519671 0.761380 0.770652 S\n0.019893 0.711696 0.601496 S\n0.019671 0.761380 0.229348 S\n0.508603 0.766264 0.080000 S\n0.008603 0.766264 0.920000 S\n0.491397 0.233736 0.920000 S\n0.480107 0.288304 0.601496 S\n0.980106 0.288304 0.398504 S\n0.991397 0.233736 0.080000 S\n0.480328 0.238620 0.229348 S\n",
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"formula_full": "V2 Ag2 P4 S12",
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{
"id": "jvasp-12158",
"created_at": "2022-09-04T14:36:34.863730Z",
"updated_at": "2022-09-04T14:36:34.863760Z",
"structure_string": "Y2 Ge1 I2\n1.0\n4.143765 0.005343 9.999061\n1.994162 3.632373 9.999061\n0.009017 0.005343 10.823674\nY Ge I\n2 1 2\ndirect\n0.617281 0.617278 0.617279 Y\n0.382722 0.382720 0.382721 Y\n0.000000 0.000000 0.000000 Ge\n0.220789 0.220788 0.220788 I\n0.779214 0.779210 0.779211 I\n",
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{
"id": "jvasp-1216",
"created_at": "2022-09-04T14:36:56.098029Z",
"updated_at": "2022-09-04T14:36:56.098050Z",
"structure_string": "Cu4 O2\n1.0\n4.297460 0.000000 0.000000\n0.000000 4.297460 0.000000\n0.000000 0.000000 4.297460\nCu O\n4 2\ndirect\n0.250000 0.250000 0.750000 Cu\n0.750000 0.250000 0.250000 Cu\n0.250000 0.750000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:56.952674Z",
"updated_at": "2022-09-04T14:36:56.952694Z",
"structure_string": "Al2 Si4 O11\n1.0\n2.670256 4.602355 -0.570601\n-2.479731 4.603478 0.383962\n-0.067179 0.003408 9.466700\nAl Si O\n2 4 11\ndirect\n0.312236 0.374911 -0.000191 Al\n0.687765 0.625088 0.000191 Al\n0.266294 0.745609 0.702236 Si\n0.733707 0.254391 0.297764 Si\n0.911593 0.452814 0.700869 Si\n0.088408 0.547185 0.299131 Si\n0.901153 0.415496 0.367586 O\n0.098848 0.584503 0.632414 O\n0.439985 0.339091 0.368228 O\n0.560016 0.660909 0.631772 O\n0.616402 0.393498 0.124991 O\n0.948400 0.476754 0.874328 O\n0.037819 0.107161 0.675916 O\n0.383598 0.606501 0.875009 O\n0.500000 -0.000001 0.000000 O\n0.051601 0.523245 0.125672 O\n0.962181 0.892838 0.324084 O\n",
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{
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"created_at": "2022-09-04T14:38:00.885367Z",
"updated_at": "2022-09-04T14:38:00.885390Z",
"structure_string": "Hg4 P4 Se12\n1.0\n6.547098 -0.000000 0.986293\n3.273550 5.785958 0.493147\n0.027675 0.000000 13.825192\nHg P Se\n4 4 12\ndirect\n0.768136 0.813732 0.064686 Hg\n0.231864 0.186268 0.935314 Hg\n0.581869 0.186268 0.564686 Hg\n0.418132 0.813732 0.435314 Hg\n0.529971 0.532783 0.915946 P\n0.062753 0.467218 0.415946 P\n0.470030 0.467218 0.084054 P\n0.937248 0.532783 0.584054 P\n0.171750 0.393232 0.112893 Se\n0.564983 0.606768 0.612893 Se\n0.828250 0.606768 0.887107 Se\n0.035828 0.163727 0.375961 Se\n0.964173 0.836274 0.624039 Se\n0.199555 0.836274 0.875961 Se\n0.387758 0.781722 0.159963 Se\n0.830521 0.781722 0.340037 Se\n0.612243 0.218279 0.840036 Se\n0.169480 0.218279 0.659963 Se\n0.435018 0.393232 0.387107 Se\n0.800446 0.163727 0.124039 Se\n",
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}