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{
"id": "jvasp-31825",
"created_at": "2022-09-04T14:37:59.133094Z",
"updated_at": "2022-09-04T14:37:59.133125Z",
"structure_string": "Al6 Br24\n1.0\n12.409016 0.000000 -0.000000\n6.204508 10.746522 -0.000000\n6.204508 3.582174 10.131918\nAl Br\n6 24\ndirect\n0.250000 0.250000 0.750000 Al\n0.750001 0.250000 0.750000 Al\n0.750001 0.750000 0.250000 Al\n0.250001 0.749999 0.750000 Al\n0.250000 0.750000 0.250000 Al\n0.750000 0.250000 0.250000 Al\n0.286756 0.067019 0.713245 Br\n0.786756 0.213244 0.567020 Br\n0.786756 0.567019 0.432981 Br\n0.713245 0.286755 0.067020 Br\n0.213245 0.432980 0.567020 Br\n0.432981 0.786755 0.567020 Br\n0.067020 0.713244 0.286755 Br\n0.432981 0.567019 0.213245 Br\n0.567020 0.786755 0.213245 Br\n0.213245 0.567019 0.786756 Br\n0.432981 0.213244 0.786756 Br\n0.713245 0.067019 0.932981 Br\n0.713245 0.932980 0.286755 Br\n0.567020 0.432980 0.786756 Br\n0.786756 0.432980 0.213245 Br\n0.286756 0.713244 0.932981 Br\n0.067020 0.932980 0.713245 Br\n0.286756 0.932980 0.067020 Br\n0.067020 0.286755 0.932981 Br\n0.932981 0.286755 0.713245 Br\n0.932981 0.713244 0.067020 Br\n0.932981 0.067019 0.286755 Br\n0.213245 0.786755 0.432981 Br\n0.567020 0.213244 0.432981 Br\n",
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{
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"structure_string": "Ta10 Si6\n1.0\n5.925271 -0.000000 -2.850745\n-1.371538 5.764354 -2.850739\n-0.007571 -0.009573 7.567472\nTa Si\n10 6\ndirect\n0.184882 0.013382 0.698265 Ta\n0.013383 0.513382 0.698265 Ta\n0.684886 0.184884 0.698258 Ta\n0.986617 0.486618 0.301735 Ta\n0.513372 0.684884 0.698257 Ta\n0.815118 0.986618 0.301735 Ta\n0.486627 0.315116 0.301743 Ta\n0.315114 0.815116 0.301742 Ta\n0.500000 0.500000 -0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.630766 0.130767 0.999994 Si\n0.869227 0.630767 0.999994 Si\n0.130773 0.369233 0.000006 Si\n0.369233 0.869233 0.000006 Si\n0.750003 0.750000 0.500000 Si\n0.249997 0.250000 0.500000 Si\n",
"nsites": 16,
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"formula_full": "Ta10 Si6",
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{
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"created_at": "2022-09-04T14:37:48.634900Z",
"updated_at": "2022-09-04T14:37:48.634927Z",
"structure_string": "Lu8 Te1\n1.0\n4.471364 -7.744628 0.000000\n4.471364 7.744628 -0.000000\n-0.000000 -0.000000 3.657624\nLu Te\n8 1\ndirect\n0.720171 -0.000000 0.000000 Lu\n-0.000000 0.720171 0.000000 Lu\n0.614659 0.614659 0.500000 Lu\n0.385340 -0.000000 0.500000 Lu\n-0.000000 0.385340 0.500000 Lu\n0.333333 0.666667 0.000000 Lu\n0.666667 0.333333 0.000000 Lu\n0.279828 0.279828 0.000000 Lu\n0.000000 0.000000 0.500000 Te\n",
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"density": 10.011843305902135,
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"volume": 253.32009484501697,
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"formula_full": "Lu8 Te1",
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"formula_anonymous": "AB8",
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"spacegroup": 189
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{
"id": "jvasp-38367",
"created_at": "2022-09-04T14:37:53.332230Z",
"updated_at": "2022-09-04T14:37:53.332256Z",
"structure_string": "Pu3 Sc1\n1.0\n0.000000 3.478651 3.478651\n3.478651 0.000000 3.478651\n3.478651 3.478651 0.000000\nPu Sc\n3 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Pu\n0.250000 0.250000 0.250000 Pu\n0.750000 0.750000 0.750000 Sc\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:37:48.634878Z",
"updated_at": "2022-09-04T14:37:48.634893Z",
"structure_string": "Mg2 Ta2\n1.0\n2.844712 0.000000 0.000000\n0.000000 4.864994 0.000000\n0.000000 0.000000 5.526203\nMg Ta\n2 2\ndirect\n0.000000 0.749999 0.141590 Mg\n0.000000 0.250000 0.858409 Mg\n0.500000 0.250000 0.379823 Ta\n0.500000 0.749999 0.620176 Ta\n",
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{
"id": "jvasp-37903",
"created_at": "2022-09-04T14:37:53.369000Z",
"updated_at": "2022-09-04T14:37:53.369028Z",
"structure_string": "Ba3 Er1\n1.0\n-2.916987 2.916987 5.664191\n2.916987 -2.916987 5.664191\n2.916987 2.916987 -5.664191\nBa Er\n3 1\ndirect\n0.750000 0.250000 0.500002 Ba\n0.250000 0.750000 0.500002 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Er\n",
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{
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"created_at": "2022-09-04T14:37:53.369539Z",
"updated_at": "2022-09-04T14:37:53.369551Z",
"structure_string": "Tm1 Pa3\n1.0\n4.707660 0.000000 0.000000\n0.000000 4.707660 0.000000\n0.000000 0.000000 4.709272\nTm Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
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{
"id": "jvasp-26473",
"created_at": "2022-09-04T14:37:53.381355Z",
"updated_at": "2022-09-04T14:37:53.381385Z",
"structure_string": "Ti12 O2\n1.0\n2.547377 -4.412186 -0.000000\n2.547377 4.412186 -0.000000\n0.000000 0.000000 9.461706\nTi O\n12 2\ndirect\n0.667935 0.664646 0.881217 Ti\n0.332066 0.996712 0.381217 Ti\n0.664646 0.996712 0.118784 Ti\n0.664646 0.667935 0.381217 Ti\n0.335355 0.332066 0.618784 Ti\n0.996712 0.332066 0.881217 Ti\n0.335355 0.003289 0.881217 Ti\n0.667935 0.003289 0.618784 Ti\n0.003289 0.335355 0.381217 Ti\n0.332066 0.335355 0.118784 Ti\n0.003289 0.667935 0.118784 Ti\n0.996712 0.664646 0.618784 Ti\n0.666668 0.333333 0.750000 O\n0.333333 0.666668 0.250000 O\n",
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{
"id": "jvasp-37956",
"created_at": "2022-09-04T14:37:48.637249Z",
"updated_at": "2022-09-04T14:37:48.637274Z",
"structure_string": "Ac6 Hg2\n1.0\n7.663303 -0.000529 0.000000\n-3.832109 6.636766 0.000000\n0.000000 0.000000 5.874376\nAc Hg\n6 2\ndirect\n0.175547 0.351030 0.250000 Ac\n0.649020 0.824508 0.250000 Ac\n0.175565 0.824457 0.250000 Ac\n0.824444 0.648956 0.750000 Ac\n0.350995 0.175505 0.750000 Ac\n0.824430 0.175547 0.750000 Ac\n0.333335 0.666678 0.750000 Hg\n0.666664 0.333323 0.250000 Hg\n",
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{
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"structure_string": "Pr2 Tm6\n1.0\n0.000000 7.146294 0.001354\n5.609513 0.000000 0.000000\n0.000000 -3.571945 -6.189637\nPr Tm\n2 6\ndirect\n0.666667 0.250000 0.333336 Pr\n0.333334 0.750000 0.666665 Pr\n0.671614 0.250000 0.835808 Tm\n0.835806 0.750000 0.164190 Tm\n0.835800 0.750000 0.671602 Tm\n0.164201 0.250000 0.328400 Tm\n0.164195 0.250000 0.835811 Tm\n0.328387 0.750000 0.164194 Tm\n",
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{
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"created_at": "2022-09-04T14:37:55.800445Z",
"updated_at": "2022-09-04T14:37:55.800467Z",
"structure_string": "Sr2 Sb4\n1.0\n0.000000 4.883211 0.056643\n4.392714 0.000000 0.000000\n0.000000 -1.947296 -8.980219\nSr Sb\n2 4\ndirect\n0.412866 0.749999 0.289364 Sr\n0.587133 0.250000 0.710636 Sr\n0.805971 0.749999 0.018351 Sb\n0.194029 0.250000 0.981650 Sb\n0.047002 0.749999 0.613627 Sb\n0.952998 0.250000 0.386374 Sb\n",
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{
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"created_at": "2022-09-04T14:37:53.407828Z",
"updated_at": "2022-09-04T14:37:53.407844Z",
"structure_string": "Lu6 Al2\n1.0\n3.299070 -5.714158 0.000000\n3.299070 5.714158 -0.000000\n-0.000000 -0.000000 5.226855\nLu Al\n6 2\ndirect\n0.828019 0.656037 0.250000 Lu\n0.343963 0.171981 0.250000 Lu\n0.828019 0.171981 0.250000 Lu\n0.171981 0.343963 0.749999 Lu\n0.656037 0.828019 0.749999 Lu\n0.171981 0.828019 0.749999 Lu\n0.666667 0.333333 0.749999 Al\n0.333333 0.666667 0.250000 Al\n",
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