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{
"id": "jvasp-9777",
"created_at": "2022-09-04T14:37:10.155322Z",
"updated_at": "2022-09-04T14:37:10.155347Z",
"structure_string": "Sr1 Li2 Ta2 O7\n1.0\n3.890764 -0.000000 -0.821082\n-0.173276 3.886904 -0.821082\n-0.020217 -0.021138 9.533086\nSr Li Ta O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249999 0.749999 0.500000 Li\n0.749999 0.249999 0.500000 Li\n0.615676 0.615677 0.231354 Ta\n0.384321 0.384322 0.768647 Ta\n0.499999 0.499999 0.000000 O\n0.604968 0.104969 0.209939 O\n0.104968 0.604969 0.209939 O\n0.395029 0.895029 0.790062 O\n0.895029 0.395030 0.790062 O\n0.280420 0.280420 0.560843 O\n0.719577 0.719578 0.439157 O\n",
"nsites": 12,
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{
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"structure_string": "Sr1 Li2 Sn1\n1.0\n0.000000 3.563733 3.563733\n3.563733 -0.000000 3.563733\n3.563733 3.563733 0.000000\nSr Li Sn\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Sn\n",
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{
"id": "jvasp-116544",
"created_at": "2022-09-04T14:38:42.029259Z",
"updated_at": "2022-09-04T14:38:42.029279Z",
"structure_string": "Sr3 Li6 Si3 O12\n1.0\n5.036270 -0.000000 0.000000\n-2.518135 4.361538 0.000000\n-0.000000 -0.000000 12.486220\nSr Li Si O\n3 6 3 12\ndirect\n0.416019 0.000000 0.833333 Sr\n0.583981 0.583981 0.500000 Sr\n0.000000 0.416019 0.166667 Sr\n0.663436 0.591506 0.745896 Li\n0.928071 0.336565 0.412562 Li\n0.408494 0.071930 0.079229 Li\n0.336566 0.928071 0.587438 Li\n0.591506 0.663436 0.254104 Li\n0.071930 0.408495 0.920771 Li\n0.721523 0.721523 -0.000000 Si\n0.000000 0.278478 0.666667 Si\n0.278477 0.000000 0.333333 Si\n0.761055 0.068868 0.003418 O\n0.547927 0.512266 0.106813 O\n0.964341 0.452074 0.773480 O\n0.487735 0.035660 0.440146 O\n0.452075 0.964341 0.226520 O\n0.512266 0.547927 0.893188 O\n0.035660 0.487735 0.559855 O\n0.068869 0.761055 0.996582 O\n0.692188 0.931133 0.663248 O\n0.238946 0.307813 0.329915 O\n0.931133 0.692187 0.336752 O\n0.307813 0.238945 0.670085 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-O-Si-Sr",
"density": 3.5161114381830068,
"density_atomic": 0.08750474294106961,
"volume": 274.2708474232407,
"volume_molar": 6.882073539780162,
"formula_full": "Sr3 Li6 Si3 O12",
"formula_reduced": "SrLi2SiO4",
"formula_anonymous": "ABC2D4",
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},
{
"id": "jvasp-40283",
"created_at": "2022-09-04T14:37:47.611678Z",
"updated_at": "2022-09-04T14:37:47.611697Z",
"structure_string": "Sr1 Li2 Pb1\n1.0\n-0.000000 3.601765 3.601765\n3.601765 -0.000000 3.601765\n3.601765 3.601765 -0.000000\nSr Li Pb\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.249999 0.249999 0.249999 Pb\n",
"nsites": 4,
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"elements": [
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"density": 5.485452066389429,
"density_atomic": 0.042803952663015996,
"volume": 93.44931369985675,
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"formula_full": "Sr1 Li2 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-86887",
"created_at": "2022-09-04T14:36:14.801882Z",
"updated_at": "2022-09-04T14:36:14.801905Z",
"structure_string": "Sr1 Li4 P2\n1.0\n4.128931 0.004313 7.083380\n1.917069 3.656902 7.083380\n0.007122 0.004313 8.198920\nSr Li P\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.430290 0.430289 0.430291 Li\n0.137856 0.137856 0.137857 Li\n0.569710 0.569709 0.569711 Li\n0.862144 0.862142 0.862145 Li\n0.754266 0.754264 0.754267 P\n0.245734 0.245734 0.245734 P\n",
"nsites": 7,
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"elements": [
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"density": 2.38479034579791,
"density_atomic": 0.056690880327137955,
"volume": 123.47665020557277,
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"formula_full": "Sr1 Li4 P2",
"formula_reduced": "Sr(Li2P)2",
"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-86285",
"created_at": "2022-09-04T14:35:44.376243Z",
"updated_at": "2022-09-04T14:35:44.376263Z",
"structure_string": "Sr1 Li4 P2\n1.0\n4.128909 0.004328 7.083394\n1.917073 3.656875 7.083394\n0.007147 0.004328 8.198921\nSr Li P\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.430288 0.430290 0.430288 Li\n0.137861 0.137861 0.137861 Li\n0.569711 0.569713 0.569710 Li\n0.862138 0.862141 0.862137 Li\n0.754264 0.754266 0.754263 P\n0.245735 0.245736 0.245735 P\n",
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"volume": 123.47397634257962,
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"formula_full": "Sr1 Li4 P2",
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"formula_anonymous": "AB2C4",
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"spacegroup": 166
},
{
"id": "jvasp-57139",
"created_at": "2022-09-04T14:38:34.790795Z",
"updated_at": "2022-09-04T14:38:34.790813Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n3.921675 0.002700 -0.841273\n-0.182918 3.917409 -0.841273\n-0.018220 -0.019103 9.477598\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250018 0.749982 0.500000 Li\n0.749980 0.250019 0.500000 Li\n0.383028 0.383029 0.766130 Nb\n0.616970 0.616972 0.233871 Nb\n0.106080 0.606072 0.212151 O\n0.606071 0.106081 0.212151 O\n0.722154 0.722155 0.444305 O\n0.393927 0.893920 0.787850 O\n0.277844 0.277846 0.555695 O\n0.499999 0.500000 0.000000 O\n0.893918 0.393929 0.787850 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Nb-O-Sr",
"density": 4.557776391667671,
"density_atomic": 0.08248488392407025,
"volume": 145.48120127133055,
"volume_molar": 7.30090226658203,
"formula_full": "Sr1 Li2 Nb2 O7",
"formula_reduced": "SrLi2Nb2O7",
"formula_anonymous": "AB2C2D7",
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"spacegroup": 139
},
{
"id": "jvasp-101020",
"created_at": "2022-09-04T14:37:08.403435Z",
"updated_at": "2022-09-04T14:37:08.403458Z",
"structure_string": "Sr1 Li2 In1\n1.0\n4.468599 -0.000000 2.579947\n1.489533 4.213036 2.579947\n-0.000000 -0.000000 5.159894\nSr Li In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Li\n0.749999 0.750001 0.750000 Li\n0.500000 0.500001 0.500000 In\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.6977575936576774,
"density_atomic": 0.04117680608923984,
"volume": 97.14206564081385,
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"formula_full": "Sr1 Li2 In1",
"formula_reduced": "SrLi2In",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80462",
"created_at": "2022-09-04T14:37:19.444672Z",
"updated_at": "2022-09-04T14:37:19.444703Z",
"structure_string": "Sr1 Li2 In1\n1.0\n-11.753225 3.294882 -1.405213\n-8.706832 1.153775 1.720214\n-7.303002 5.124399 -0.711286\nSr Li In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.939247 -0.151400 -0.151402 Li\n0.060753 0.151401 0.151402 Li\n0.500000 0.000001 -0.000000 In\n",
"nsites": 4,
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"elements": [
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"density": 3.511000904038555,
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"volume": 102.30923337949886,
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"formula_full": "Sr1 Li2 In1",
"formula_reduced": "SrLi2In",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-81530",
"created_at": "2022-09-04T14:37:12.977351Z",
"updated_at": "2022-09-04T14:37:12.977377Z",
"structure_string": "Sr1 Li2 Ge1\n1.0\n-11.057720 4.186885 0.442714\n-7.782249 1.449821 2.705819\n-6.383711 5.399486 0.300656\nSr Li Ge\n1 2 1\ndirect\n0.500001 -0.000001 -0.000001 Sr\n0.750535 0.999576 0.999655 Li\n0.249465 0.000424 0.000344 Li\n-0.000000 0.000001 0.000001 Ge\n",
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"density": 3.6280548669599124,
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"volume": 79.70375441928296,
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"formula_full": "Sr1 Li2 Ge1",
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},
{
"id": "jvasp-74419",
"created_at": "2022-09-04T14:36:16.782511Z",
"updated_at": "2022-09-04T14:36:16.782549Z",
"structure_string": "Sr1 Li2 Be1\n1.0\n-2.449444 2.449444 3.914246\n2.449444 -2.449444 3.914246\n2.449444 2.449444 -3.914246\nSr Li Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Li\n0.250000 0.749999 0.499999 Li\n0.749999 0.250000 0.499999 Be\n",
"nsites": 4,
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"elements": [
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],
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"density": 1.9535474905406722,
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"volume": 93.9383954129278,
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"formula_full": "Sr1 Li2 Be1",
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},
{
"id": "jvasp-79287",
"created_at": "2022-09-04T14:37:11.189752Z",
"updated_at": "2022-09-04T14:37:11.189778Z",
"structure_string": "Sr1 La1 Zr2\n1.0\n0.000000 3.905791 3.905791\n3.905791 0.000000 3.905791\n3.905791 3.905791 0.000000\nSr La Zr\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n",
"nsites": 4,
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"elements": [
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"volume": 119.16727178334563,
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"formula_full": "Sr1 La1 Zr2",
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}
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}