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{
"id": "jvasp-94083",
"created_at": "2022-09-04T14:35:49.230096Z",
"updated_at": "2022-09-04T14:35:49.230117Z",
"structure_string": "Ba1 Mg6 V1\n1.0\n6.604689 0.000411 0.000000\n-3.301988 5.720033 0.000000\n0.000000 0.000000 5.161138\nBa Mg V\n1 6 1\ndirect\n0.416670 0.083330 0.750000 Ba\n0.062425 0.906123 0.250000 Mg\n0.593876 0.437574 0.250000 Mg\n0.593840 0.906159 0.250000 Mg\n0.387371 0.568696 0.750000 Mg\n0.931303 0.112628 0.750000 Mg\n0.931246 0.568753 0.750000 Mg\n0.083265 0.416735 0.250000 V\n",
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{
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"structure_string": "Tm10 Ga6\n1.0\n8.394770 0.019037 0.102166\n-4.182404 7.278737 0.102166\n-0.015601 -0.027028 6.373276\nTm Ga\n10 6\ndirect\n0.854869 0.145131 0.500001 Tm\n0.145132 0.854869 0.500001 Tm\n0.814523 0.185478 0.000001 Tm\n0.185478 0.814523 0.000001 Tm\n0.506103 0.745827 0.264487 Tm\n0.493897 0.254174 0.735515 Tm\n0.254174 0.493897 0.735515 Tm\n0.745827 0.506103 0.264487 Tm\n0.268605 0.268605 0.227198 Tm\n0.731396 0.731396 0.772804 Tm\n0.908460 0.908459 0.190631 Ga\n0.091541 0.091541 0.809371 Ga\n0.501792 0.098781 0.285421 Ga\n0.498209 0.901220 0.714581 Ga\n0.901220 0.498208 0.714581 Ga\n0.098781 0.501792 0.285421 Ga\n",
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{
"id": "jvasp-94865",
"created_at": "2022-09-04T14:36:09.747319Z",
"updated_at": "2022-09-04T14:36:09.747340Z",
"structure_string": "Mg1 Al2 Se4\n1.0\n-1.952752 -3.382265 -0.000000\n1.952752 -3.382265 -0.000000\n0.000000 -2.254844 12.916928\nMg Al Se\n1 2 4\ndirect\n0.832431 0.832431 0.502711 Mg\n0.069208 0.069208 0.792375 Al\n0.595650 0.595650 0.213055 Al\n0.956470 0.956470 0.130594 Se\n0.708389 0.708389 0.874834 Se\n0.536134 0.536134 0.391601 Se\n0.128723 0.128723 0.613830 Se\n",
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"elements": [
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"density": 3.8354866547433337,
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"volume": 170.6255079375325,
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"formula_full": "Mg1 Al2 Se4",
"formula_reduced": "Mg(AlSe2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 166
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{
"id": "jvasp-1456",
"created_at": "2022-09-04T14:36:34.707508Z",
"updated_at": "2022-09-04T14:36:34.707543Z",
"structure_string": "Ba1 Hg1 O2\n1.0\n3.966343 0.006134 5.737822\n1.794638 3.537116 5.737822\n0.009974 0.006134 6.975270\nBa Hg O\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Hg\n0.898601 0.898601 0.898603 O\n0.101398 0.101398 0.101398 O\n",
"nsites": 4,
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"elements": [
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"density": 6.299862095241252,
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"spacegroup": 166
},
{
"id": "jvasp-3414",
"created_at": "2022-09-04T14:35:43.363459Z",
"updated_at": "2022-09-04T14:35:43.363486Z",
"structure_string": "In4 S4\n1.0\n4.001898 0.000000 0.000000\n0.000000 4.505787 0.000000\n0.000000 0.000000 10.815741\nIn S\n4 4\ndirect\n0.500000 0.380204 0.619956 In\n0.500000 0.619797 0.380044 In\n0.000000 0.880204 0.880044 In\n0.000000 0.119797 0.119956 In\n0.500000 0.519086 0.848237 S\n0.500000 0.480915 0.151763 S\n0.000000 0.019086 0.651762 S\n0.000000 0.980915 0.348237 S\n",
"nsites": 8,
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"elements": [
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"volume": 195.02619681368458,
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{
"id": "jvasp-89986",
"created_at": "2022-09-04T14:35:44.321840Z",
"updated_at": "2022-09-04T14:35:44.321866Z",
"structure_string": "K2 Pt1 S6\n1.0\n-3.572159 -6.262358 0.088982\n-3.637281 6.299955 0.000000\n0.282438 0.163066 -4.850191\nK Pt S\n2 1 6\ndirect\n0.392392 0.696195 0.732043 K\n0.607608 0.303804 0.267957 K\n0.000000 0.000000 0.000000 Pt\n0.700402 0.850200 0.268467 S\n0.091075 0.748883 0.187359 S\n0.091075 0.342194 0.187359 S\n0.299598 0.149799 0.731534 S\n0.908925 0.251117 0.812642 S\n0.908925 0.657806 0.812642 S\n",
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"volume": 219.4171664848249,
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"spacegroup": 12
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{
"id": "jvasp-71516",
"created_at": "2022-09-04T14:35:56.758233Z",
"updated_at": "2022-09-04T14:35:56.758259Z",
"structure_string": "Sr2 Be1 Ni1\n1.0\n3.362983 0.000000 -0.000000\n0.000000 3.362983 0.000000\n-0.000000 0.000000 8.622827\nSr Be Ni\n2 1 1\ndirect\n0.000000 0.000000 0.917890 Sr\n0.500000 0.500000 0.334913 Sr\n0.000000 0.000000 0.589297 Be\n0.500000 0.500000 0.657899 Ni\n",
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"elements": [
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"Be",
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"volume": 97.52119554817014,
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"formula_full": "Sr2 Be1 Ni1",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-106025",
"created_at": "2022-09-04T14:36:14.221021Z",
"updated_at": "2022-09-04T14:36:14.221036Z",
"structure_string": "Mn1 Zn1 Se2\n1.0\n3.931627 0.004968 5.921543\n1.790508 3.500256 5.921543\n0.008110 0.004968 7.107904\nMn Zn Se\n1 1 2\ndirect\n0.000696 0.000696 0.000696 Mn\n0.499974 0.499975 0.499972 Zn\n0.126230 0.126230 0.126229 Se\n0.623102 0.623103 0.623099 Se\n",
"nsites": 4,
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"formula_full": "Mn1 Zn1 Se2",
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},
{
"id": "jvasp-97318",
"created_at": "2022-09-04T14:35:52.195220Z",
"updated_at": "2022-09-04T14:35:52.195233Z",
"structure_string": "La4 Mg2 Cu4\n1.0\n3.898962 0.000000 -0.000000\n-0.000000 7.907694 -0.000000\n0.000000 -0.000000 7.907694\nLa Mg Cu\n4 2 4\ndirect\n0.500000 0.826386 0.326387 La\n0.500000 0.673613 0.826386 La\n0.500000 0.326387 0.173613 La\n0.500000 0.173613 0.673613 La\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.620472 0.120472 Cu\n0.000000 0.879528 0.620472 Cu\n0.000000 0.379528 0.879528 Cu\n0.000000 0.120472 0.379528 Cu\n",
"nsites": 10,
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],
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"density": 5.846529259760609,
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"volume": 243.80842732465567,
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"formula_full": "La4 Mg2 Cu4",
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{
"id": "jvasp-91715",
"created_at": "2022-09-04T14:36:16.692814Z",
"updated_at": "2022-09-04T14:36:16.692842Z",
"structure_string": "Ba1 Mg6 W1\n1.0\n6.567331 -1.759927 0.000000\n-4.807807 8.327366 0.000000\n0.000000 0.000000 4.219356\nBa Mg W\n1 6 1\ndirect\n0.249987 0.374993 0.250000 Ba\n0.750002 0.375027 0.250000 Mg\n0.750002 0.874973 0.250000 Mg\n0.250006 0.084269 0.750001 Mg\n0.250006 0.665739 0.750001 Mg\n0.668530 0.084265 0.750001 Mg\n0.831446 0.665723 0.750001 Mg\n0.250018 0.875009 0.250000 W\n",
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},
{
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"created_at": "2022-09-04T14:36:41.457526Z",
"updated_at": "2022-09-04T14:36:41.457544Z",
"structure_string": "Na2 Ca1 Si1\n1.0\n4.474467 0.000000 2.583335\n1.491489 4.218567 2.583335\n-0.000000 -0.000000 5.166669\nNa Ca Si\n2 1 1\ndirect\n0.500000 0.500000 0.499999 Na\n0.750001 0.750000 0.749998 Na\n0.250000 0.250000 0.249999 Ca\n0.000000 0.000000 0.000000 Si\n",
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},
{
"id": "jvasp-120482",
"created_at": "2022-09-04T14:38:39.276440Z",
"updated_at": "2022-09-04T14:38:39.276468Z",
"structure_string": "Dy10 Co4 Bi2\n1.0\n6.847637 0.085853 -5.307665\n-1.593998 6.660081 -5.307665\n-0.066861 -0.085853 8.663543\nDy Co Bi\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 -0.000001 Dy\n0.785581 0.285581 0.812336 Dy\n0.214419 0.714419 0.187664 Dy\n0.473246 0.973246 0.187664 Dy\n0.285581 0.473246 0.500000 Dy\n0.026754 0.214419 0.500000 Dy\n0.526755 0.026754 0.812335 Dy\n0.714419 0.526754 0.499999 Dy\n0.973246 0.785581 0.499999 Dy\n0.139779 0.639780 0.779558 Co\n0.860221 0.360220 0.220440 Co\n0.639779 0.860220 0.499999 Co\n0.360221 0.139779 0.500000 Co\n0.250000 0.250000 -0.000000 Bi\n0.750000 0.750000 -0.000001 Bi\n",
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