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{
"id": "jvasp-14788",
"created_at": "2022-09-04T14:38:32.532623Z",
"updated_at": "2022-09-04T14:38:32.532642Z",
"structure_string": "Ba2\n1.0\n2.188788 -3.791090 -0.000000\n2.188788 3.791090 -0.000000\n0.000000 -0.000000 7.140938\nBa\n2\ndirect\n0.333334 0.666668 0.250000 Ba\n0.666668 0.333334 0.750000 Ba\n",
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{
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"updated_at": "2022-09-04T14:36:59.514776Z",
"structure_string": "Sr2 Br4\n1.0\n7.070457 -0.000000 0.000000\n0.000000 7.070457 0.000000\n-0.000000 -0.000000 4.653333\nSr Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.303096 0.303096 -0.000000 Br\n0.696904 0.696904 -0.000000 Br\n0.196904 0.803097 0.500000 Br\n0.803097 0.196904 0.500000 Br\n",
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{
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"created_at": "2022-09-04T14:37:03.925401Z",
"updated_at": "2022-09-04T14:37:03.925427Z",
"structure_string": "Mg1 O1\n1.0\n2.588985 0.000000 1.494751\n0.862995 2.440918 1.494751\n0.000000 0.000000 2.989502\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499998 0.500000 0.500000 O\n",
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{
"id": "jvasp-102368",
"created_at": "2022-09-04T14:36:59.082372Z",
"updated_at": "2022-09-04T14:36:59.082393Z",
"structure_string": "Na3 Y1 Cl6\n1.0\n6.415546 -0.000000 3.704017\n2.138515 6.048635 3.704017\n-0.000000 -0.000000 7.408035\nNa Y Cl\n3 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.751735 0.248265 0.248265 Cl\n0.248266 0.248265 0.751734 Cl\n0.248266 0.751734 0.751734 Cl\n0.248266 0.751734 0.248266 Cl\n0.751735 0.248265 0.751734 Cl\n0.751736 0.751734 0.248266 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.034786118579461865,
"volume": 287.47099154385444,
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"formula_full": "Na3 Y1 Cl6",
"formula_reduced": "Na3YCl6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
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{
"id": "jvasp-94730",
"created_at": "2022-09-04T14:36:21.081782Z",
"updated_at": "2022-09-04T14:36:21.081796Z",
"structure_string": "Ca1 Mg6 V1\n1.0\n6.399337 0.085590 0.000000\n-3.125545 5.584783 0.000000\n0.000000 0.000000 5.058087\nCa Mg V\n1 6 1\ndirect\n0.161972 0.338028 0.250000 Ca\n0.181723 0.862629 0.250000 Mg\n0.637371 0.318277 0.250000 Mg\n0.665832 0.834168 0.250000 Mg\n0.344983 0.677961 0.750001 Mg\n0.822039 0.155017 0.750001 Mg\n0.842284 0.657716 0.750001 Mg\n0.343798 0.156202 0.750001 V\n",
"nsites": 8,
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"elements": [
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"density": 2.1595103248157828,
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"volume": 182.12362457133747,
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"formula_full": "Ca1 Mg6 V1",
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{
"id": "jvasp-14629",
"created_at": "2022-09-04T14:36:01.201694Z",
"updated_at": "2022-09-04T14:36:01.201716Z",
"structure_string": "Ca8\n1.0\n4.331305 0.000000 -0.000000\n-0.000000 4.331305 -0.000000\n0.000000 0.000000 17.207241\nCa\n8\ndirect\n0.500032 0.000080 0.062507 Ca\n0.499919 0.000033 0.312507 Ca\n0.500080 0.999966 0.812507 Ca\n0.000033 0.499919 0.687493 Ca\n0.999966 0.500080 0.187493 Ca\n0.499967 0.999919 0.562507 Ca\n0.000080 0.500032 0.937493 Ca\n0.999919 0.499967 0.437493 Ca\n",
"nsites": 8,
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{
"id": "jvasp-25164",
"created_at": "2022-09-04T14:38:17.580559Z",
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"structure_string": "Ca8\n1.0\n4.331278 -0.000000 -0.000000\n0.000000 4.331278 0.000000\n0.000000 0.000000 17.207435\nCa\n8\ndirect\n0.500033 0.000080 0.062507 Ca\n0.499920 0.000033 0.312507 Ca\n0.500080 0.999968 0.812507 Ca\n0.000033 0.499920 0.687493 Ca\n0.999968 0.500080 0.187493 Ca\n0.499967 0.999921 0.562507 Ca\n0.000080 0.500033 0.937493 Ca\n0.999921 0.499967 0.437493 Ca\n",
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{
"id": "jvasp-22617",
"created_at": "2022-09-04T14:35:44.347871Z",
"updated_at": "2022-09-04T14:35:44.347895Z",
"structure_string": "Ni1 Sn1 F6\n1.0\n4.532258 0.050305 3.120119\n1.666576 4.215023 3.120120\n0.073108 0.050304 5.501924\nNi Sn F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Ni\n0.000000 0.000000 0.000000 Sn\n0.253571 0.890938 0.605062 F\n0.890939 0.605063 0.253569 F\n0.394938 0.746430 0.109061 F\n0.109062 0.394936 0.746430 F\n0.746431 0.109062 0.394936 F\n0.605064 0.253569 0.890938 F\n",
"nsites": 8,
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"formula_full": "Ni1 Sn1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-117773",
"created_at": "2022-09-04T14:38:51.686576Z",
"updated_at": "2022-09-04T14:38:51.686591Z",
"structure_string": "Cd1 S1 Br1\n1.0\n3.457774 0.000000 -0.000000\n-0.000000 3.457774 -0.000000\n-0.000000 0.000000 8.300729\nCd S Br\n1 1 1\ndirect\n0.000000 0.000000 0.657688 Cd\n0.000000 0.000000 -0.062132 S\n0.000000 0.000000 0.364672 Br\n",
"nsites": 3,
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"formula_full": "Cd1 S1 Br1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-117732",
"created_at": "2022-09-04T14:38:47.429570Z",
"updated_at": "2022-09-04T14:38:47.429595Z",
"structure_string": "Bi1 F3\n1.0\n4.098124 0.291748 -0.091748\n-1.792042 -3.692240 0.186728\n-0.093499 -0.184123 -4.535390\nBi F\n1 3\ndirect\n0.680876 0.189913 0.116689 Bi\n0.014395 0.856601 0.226225 F\n0.347387 0.523107 0.007104 F\n0.680879 0.189959 0.616688 F\n",
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},
{
"id": "jvasp-56438",
"created_at": "2022-09-04T14:37:08.443101Z",
"updated_at": "2022-09-04T14:37:08.443111Z",
"structure_string": "Yb4 Pt4\n1.0\n4.379316 -0.000000 0.000000\n0.000000 5.521366 0.000000\n0.000000 0.000000 7.057028\nYb Pt\n4 4\ndirect\n0.250000 0.142129 0.184281 Yb\n0.750001 0.642129 0.315719 Yb\n0.750001 0.857872 0.815720 Yb\n0.250000 0.357872 0.684281 Yb\n0.750001 0.155187 0.458860 Pt\n0.250000 0.844814 0.541140 Pt\n0.250000 0.655187 0.041140 Pt\n0.750001 0.344813 0.958860 Pt\n",
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"volume": 170.63757126271545,
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{
"id": "jvasp-106419",
"created_at": "2022-09-04T14:36:56.495192Z",
"updated_at": "2022-09-04T14:36:56.495218Z",
"structure_string": "Na3 Er1 Cl6\n1.0\n6.387215 -0.000000 3.687660\n2.129072 6.021924 3.687660\n-0.000000 -0.000000 7.375321\nNa Er Cl\n3 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Er\n0.752702 0.247299 0.247298 Cl\n0.247299 0.247299 0.752701 Cl\n0.247299 0.752701 0.752701 Cl\n0.247299 0.752701 0.247299 Cl\n0.752702 0.247299 0.752701 Cl\n0.752702 0.752701 0.247299 Cl\n",
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"formula_full": "Na3 Er1 Cl6",
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