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"id": "jvasp-94979",
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"updated_at": "2022-09-04T14:35:57.197787Z",
"structure_string": "Y1 Ti2 Ga4\n1.0\n5.319127 -0.013521 -1.367880\n-3.200585 4.248477 -1.367880\n0.006764 0.013521 5.492191\nY Ti Ga\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Ti\n0.249999 0.750000 0.500000 Ti\n0.696886 0.303115 0.000000 Ga\n0.696885 0.696886 0.393772 Ga\n0.303114 0.303114 0.606227 Ga\n0.303114 0.696886 0.000000 Ga\n",
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"structure_string": "Zn2 Si2 Ni2 O10\n1.0\n5.066200 -0.236604 0.058118\n-1.353799 5.142135 -0.011580\n-1.676635 -2.311354 6.202952\nZn Si Ni O\n2 2 2 10\ndirect\n0.344044 0.197522 0.789458 Zn\n0.664438 0.792301 0.239638 Zn\n0.691100 0.810744 0.748488 Si\n0.317392 0.179102 0.280622 Si\n0.004249 0.494922 0.514555 Ni\n0.004251 0.494925 0.014554 Ni\n0.715263 0.641568 0.921038 O\n0.972635 0.840854 0.657608 O\n0.293234 0.348280 0.108074 O\n0.035860 0.148990 0.371504 O\n0.616349 0.295101 0.486741 O\n0.305115 0.861201 0.148821 O\n0.392150 0.694758 0.542371 O\n0.703386 0.128646 0.880289 O\n0.871412 0.535143 0.253490 O\n0.137100 0.454710 0.775618 O\n",
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{
"id": "jvasp-94987",
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"structure_string": "In2 Co3 S2\n1.0\n4.651979 -0.011367 2.900037\n1.603879 4.366761 2.900037\n-0.016327 -0.011367 5.481866\nIn Co S\n2 3 2\ndirect\n0.500000 0.499999 0.500001 In\n0.000000 0.000000 0.000000 In\n0.500000 -0.000000 0.000000 Co\n-0.000000 -0.000000 0.500001 Co\n0.000000 0.500000 0.000000 Co\n0.277890 0.277889 0.277890 S\n0.722110 0.722109 0.722112 S\n",
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"volume": 111.76678788046479,
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"formula_full": "In2 Co3 S2",
"formula_reduced": "In2Co3S2",
"formula_anonymous": "A2B2C3",
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{
"id": "jvasp-94988",
"created_at": "2022-09-04T14:36:03.872107Z",
"updated_at": "2022-09-04T14:36:03.872132Z",
"structure_string": "Co3 Sn2 S2\n1.0\n4.665693 -0.009032 2.689116\n1.549641 4.400840 2.689116\n-0.012783 -0.009032 5.385153\nCo Sn S\n3 2 2\ndirect\n-0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.499999 Co\n0.500000 0.500001 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.719089 0.719090 0.719090 S\n0.280910 0.280911 0.280911 S\n",
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"volume": 110.87582099468838,
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"formula_full": "Co3 Sn2 S2",
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{
"id": "jvasp-94989",
"created_at": "2022-09-04T14:36:05.808257Z",
"updated_at": "2022-09-04T14:36:05.808282Z",
"structure_string": "Sr2 Co1 Br2 O2\n1.0\n3.824999 -0.000000 -0.874417\n-0.199897 3.819773 -0.874417\n0.153410 0.161648 9.474208\nSr Co Br O\n2 1 2 2\ndirect\n0.403617 0.403618 0.807235 Sr\n0.596381 0.596381 0.192763 Sr\n0.000000 0.000000 0.000000 Co\n0.178503 0.178503 0.357007 Br\n0.821496 0.821496 0.642993 Br\n-0.000000 0.500000 0.000001 O\n0.500000 0.000000 0.000001 O\n",
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"volume": 139.50543863636892,
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"formula_full": "Sr2 Co1 Br2 O2",
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{
"id": "jvasp-9499",
"created_at": "2022-09-04T14:37:12.686381Z",
"updated_at": "2022-09-04T14:37:12.686413Z",
"structure_string": "Sr4 Cr2 S2 O6\n1.0\n3.931232 -0.000000 -0.000000\n-0.000000 3.931232 -0.000000\n-0.000000 0.000000 13.658643\nSr Cr S O\n4 2 2 6\ndirect\n0.000000 0.000000 0.864693 Sr\n0.500000 0.500000 0.135307 Sr\n0.000000 0.000000 0.598260 Sr\n0.500000 0.500000 0.401740 Sr\n0.500000 0.500000 0.723917 Cr\n0.000000 0.000000 0.276082 Cr\n0.500000 0.500000 0.907234 S\n0.000000 0.000000 0.092765 S\n0.500000 0.000000 0.726521 O\n0.000000 0.500000 0.726521 O\n0.000000 0.500000 0.273479 O\n0.500000 0.000000 0.273479 O\n0.500000 0.500000 0.583194 O\n0.000000 0.000000 0.416806 O\n",
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"volume": 211.0886597447795,
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"formula_full": "Sr4 Cr2 S2 O6",
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"created_at": "2022-09-04T14:36:09.102720Z",
"updated_at": "2022-09-04T14:36:09.102747Z",
"structure_string": "Ga2 Co1 S4\n1.0\n4.784623 0.000001 -2.158561\n-0.973827 4.684472 -2.158560\n0.009943 0.012221 6.404067\nGa Co S\n2 1 4\ndirect\n0.499999 0.500000 -0.000000 Ga\n0.249999 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.872549 0.892558 0.257047 S\n0.384495 0.364487 0.257047 S\n0.635512 0.127449 0.742953 S\n0.107440 0.615503 0.742953 S\n",
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"density_atomic": 0.04868224911339103,
"volume": 143.78957684751893,
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"formula_full": "Ga2 Co1 S4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 82
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{
"id": "jvasp-94993",
"created_at": "2022-09-04T14:36:13.550645Z",
"updated_at": "2022-09-04T14:36:13.550666Z",
"structure_string": "Li1 Cu1 P1 O4\n1.0\n4.965129 -0.000000 -0.000001\n-2.482564 3.313126 2.482565\n0.000001 -0.000000 4.965129\nLi Cu P O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750001 0.500001 0.750000 P\n0.698111 0.763105 0.435553 O\n0.801344 0.236896 0.698110 O\n0.435553 0.236896 0.064995 O\n0.064995 0.763105 0.801344 O\n",
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"formula_full": "Li1 Cu1 P1 O4",
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{
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"created_at": "2022-09-04T14:36:17.785110Z",
"updated_at": "2022-09-04T14:36:17.785146Z",
"structure_string": "Rb2 Ni1 F4\n1.0\n3.943964 -0.000000 -1.126610\n-0.321820 3.930812 -1.126610\n-0.011581 -0.012568 7.426153\nRb Ni F\n2 1 4\ndirect\n0.646928 0.646929 0.293857 Rb\n0.353071 0.353070 0.706142 Rb\n0.000000 0.000000 0.000000 Ni\n0.499999 0.000000 -0.000000 F\n0.000000 0.500000 -0.000000 F\n0.852162 0.852162 0.704326 F\n0.147837 0.147837 0.295674 F\n",
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{
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"structure_string": "Mn1 Ga2 Se4\n1.0\n5.662805 -0.000000 0.000000\n0.000000 5.662805 0.000000\n-2.831403 -2.831403 5.471810\nMn Ga Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.621663 0.133834 0.731155 Se\n0.109492 0.597321 0.731155 Se\n0.866165 0.890507 0.268845 Se\n0.402678 0.378337 0.268845 Se\n",
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{
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"created_at": "2022-09-04T14:37:42.971596Z",
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"structure_string": "Cd2 S2\n1.0\n2.088763 -3.617842 0.000000\n2.088763 3.617842 0.000000\n0.000000 0.000000 6.819638\nCd S\n2 2\ndirect\n0.666666 0.333332 0.500710 Cd\n0.333332 0.666666 0.000709 Cd\n0.666666 0.333332 0.876291 S\n0.333332 0.666666 0.376291 S\n",
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},
{
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"created_at": "2022-09-04T14:37:07.673498Z",
"updated_at": "2022-09-04T14:37:07.673527Z",
"structure_string": "Mg2 Co2 Si2 O10\n1.0\n4.997891 -0.281086 0.146753\n-1.507835 5.174268 -0.047670\n-1.410011 -2.242407 6.058182\nMg Co Si O\n2 2 2 10\ndirect\n0.370271 0.215189 0.772055 Mg\n0.638228 0.774648 0.257045 Mg\n0.004248 0.494919 0.514554 Co\n0.004251 0.494923 0.014554 Co\n0.703536 0.819021 0.760867 Si\n0.304959 0.170819 0.268244 Si\n0.702634 0.632462 0.923986 O\n0.994928 0.851807 0.669019 O\n0.305866 0.357384 0.105122 O\n0.013570 0.138033 0.360088 O\n0.592786 0.289360 0.487845 O\n0.304416 0.865225 0.132074 O\n0.415708 0.700489 0.541266 O\n0.704086 0.124619 0.897036 O\n0.899975 0.555234 0.266335 O\n0.108524 0.434607 0.762773 O\n",
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