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{
"id": "jvasp-81664",
"created_at": "2022-09-04T14:37:07.915629Z",
"updated_at": "2022-09-04T14:37:07.915644Z",
"structure_string": "Sr2 Li1 Mg1\n1.0\n-11.753085 0.000001 -6.785648\n-7.724919 0.293945 -0.191343\n-6.631235 3.387350 -2.085659\nSr Li Mg\n2 1 1\ndirect\n0.760949 0.000000 -0.000000 Sr\n0.239052 0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Mg\n",
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{
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"structure_string": "Sr2 Li1 Mg1\n1.0\n-11.753085 0.000001 -6.785648\n-7.724919 0.293945 -0.191343\n-6.631235 3.387350 -2.085659\nSr Li Mg\n2 1 1\ndirect\n0.760949 0.000000 -0.000000 Sr\n0.239052 0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Mg\n",
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{
"id": "jvasp-102681",
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"structure_string": "Sr2 Li1 N1\n1.0\n3.752414 0.002303 -6.369604\n-0.276986 3.742178 -6.369604\n-0.002137 -0.002303 7.392730\nSr Li N\n2 1 1\ndirect\n0.663953 0.663955 -0.000001 Sr\n0.350167 0.350168 -0.000000 Sr\n0.979845 0.979847 -0.000001 Li\n0.839028 0.839030 -0.000001 N\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-42018",
"created_at": "2022-09-04T14:37:31.098538Z",
"updated_at": "2022-09-04T14:37:31.098553Z",
"structure_string": "Sr2 Li1 Pt1\n1.0\n0.000000 3.765284 3.765284\n3.765284 0.000000 3.765284\n3.765284 3.765284 -0.000000\nSr Li Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sr\n0.249999 0.249999 0.249999 Li\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.86776080157224,
"density_atomic": 0.03746595258536042,
"volume": 106.76360065546484,
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"formula_full": "Sr2 Li1 Pt1",
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"spacegroup": 225
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{
"id": "jvasp-10696",
"created_at": "2022-09-04T14:37:11.550842Z",
"updated_at": "2022-09-04T14:37:11.550875Z",
"structure_string": "Sr4 Li2 Re2 N8\n1.0\n0.000000 6.188251 0.011755\n5.865837 0.000000 0.000000\n0.000000 -1.961897 -6.620717\nSr Li Re N\n4 2 2 8\ndirect\n0.261582 0.250000 0.942714 Sr\n0.738417 0.750000 0.057286 Sr\n0.783174 0.750000 0.569148 Sr\n0.216825 0.250000 0.430852 Sr\n0.307162 0.750000 0.689107 Li\n0.692837 0.250000 0.310893 Li\n0.716693 0.250000 0.798112 Re\n0.283307 0.750000 0.201888 Re\n0.472674 0.503800 0.252274 N\n0.527326 0.003800 0.747726 N\n0.527326 0.496201 0.747726 N\n0.472674 0.996201 0.252274 N\n0.099760 0.750000 0.373613 N\n0.900239 0.250000 0.626387 N\n0.116795 0.750000 0.934099 N\n0.883204 0.250000 0.065901 N\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-N-Re-Sr",
"density": 5.868285132177042,
"density_atomic": 0.06661339632453529,
"volume": 240.19192659160092,
"volume_molar": 9.040434945938799,
"formula_full": "Sr4 Li2 Re2 N8",
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{
"id": "jvasp-100618",
"created_at": "2022-09-04T14:36:57.008461Z",
"updated_at": "2022-09-04T14:36:57.008489Z",
"structure_string": "Sr2 Li1 Rh1\n1.0\n4.593852 0.000000 2.652261\n1.531284 4.331126 2.652261\n0.000000 0.000000 5.304524\nSr Li Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.749999 Sr\n0.499999 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n",
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"formula_full": "Sr2 Li1 Rh1",
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"spacegroup": 225
},
{
"id": "jvasp-34547",
"created_at": "2022-09-04T14:37:13.612063Z",
"updated_at": "2022-09-04T14:37:13.612095Z",
"structure_string": "Sr4 Li2 Si2 O8 F2\n1.0\n0.000000 6.576125 0.015723\n5.429618 0.000000 0.000000\n0.000000 -2.657561 -6.452864\nSr Li Si O F\n4 2 2 8 2\ndirect\n0.839351 0.250000 0.627315 Sr\n0.635469 0.750000 0.900093 Sr\n0.160650 0.750000 0.372685 Sr\n0.364532 0.250000 0.099906 Sr\n0.851862 0.250000 0.119606 Li\n0.148139 0.750000 0.880394 Li\n0.655186 0.750000 0.335166 Si\n0.344815 0.250000 0.664834 Si\n0.221497 0.494063 0.710678 O\n0.778504 0.994063 0.289322 O\n0.221497 0.005937 0.710678 O\n0.596820 0.250000 0.845592 O\n0.778504 0.505937 0.289322 O\n0.403181 0.750000 0.154407 O\n0.341776 0.250000 0.430232 O\n0.658225 0.750000 0.569767 O\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
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"density": 4.2312787350604415,
"density_atomic": 0.07820031637621609,
"volume": 230.17809689417746,
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"formula_full": "Sr4 Li2 Si2 O8 F2",
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"formula_anonymous": "ABCD2E4",
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{
"id": "jvasp-42019",
"created_at": "2022-09-04T14:37:31.818430Z",
"updated_at": "2022-09-04T14:37:31.818455Z",
"structure_string": "Sr2 Li1 Tl1\n1.0\n0.000000 4.057947 4.057947\n4.057947 0.000000 4.057947\n4.057947 4.057947 0.000000\nSr Li Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Tl\n",
"nsites": 4,
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"elements": [
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"formula_full": "Sr2 Li1 Tl1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-55618",
"created_at": "2022-09-04T14:36:44.956199Z",
"updated_at": "2022-09-04T14:36:44.956222Z",
"structure_string": "Sr4 Lu2 Bi2 O12\n1.0\n0.000000 5.891334 0.002603\n5.998500 0.000000 0.000000\n0.000000 -5.881086 -8.384524\nSr Lu Bi O\n4 2 2 12\ndirect\n0.239679 0.542923 0.250078 Sr\n0.760320 0.042923 0.249922 Sr\n0.239679 0.957077 0.750078 Sr\n0.760319 0.457077 0.749922 Sr\n0.500000 0.500000 0.000000 Lu\n0.499999 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Bi\n-0.000001 0.500000 0.500000 Bi\n0.663103 0.470570 0.252579 O\n0.336897 0.970570 0.247421 O\n0.155035 0.709570 0.952312 O\n0.844963 0.209570 0.547688 O\n0.844963 0.290430 0.047688 O\n0.755774 0.794502 0.047033 O\n0.244224 0.205498 0.952967 O\n0.755774 0.705498 0.547033 O\n0.663102 0.029430 0.752579 O\n0.244225 0.294502 0.452967 O\n0.155036 0.790430 0.452312 O\n0.336896 0.529430 0.747421 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Bi-Lu-O-Sr",
"density": 7.3458513803587575,
"density_atomic": 0.06751960446801089,
"volume": 296.21026600467576,
"volume_molar": 8.919099582186,
"formula_full": "Sr4 Lu2 Bi2 O12",
"formula_reduced": "Sr2LuBiO6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-116591",
"created_at": "2022-09-04T14:38:43.620408Z",
"updated_at": "2022-09-04T14:38:43.620429Z",
"structure_string": "Sr4 Lu2 Ta2 O12\n1.0\n5.854099 -0.000000 0.000000\n0.000000 5.854055 0.000000\n-0.000000 -0.000000 8.278950\nSr Lu Ta O\n4 2 2 12\ndirect\n0.003718 0.499943 0.250004 Sr\n0.003718 0.500056 0.749996 Sr\n0.503718 0.999943 0.249996 Sr\n0.503718 0.000056 0.750004 Sr\n0.003320 0.000000 -0.000000 Lu\n0.503320 0.500000 0.500000 Lu\n0.003266 0.000000 0.500000 Ta\n0.503266 0.500000 -0.000000 Ta\n0.262696 0.740198 -0.000035 O\n0.262696 0.259801 0.000035 O\n0.743357 0.259509 0.000005 O\n0.743357 0.740491 -0.000005 O\n0.243357 0.759508 0.499995 O\n0.503036 0.499954 0.759660 O\n0.003036 0.999954 0.740340 O\n0.003036 0.000046 0.259660 O\n0.762696 0.759801 0.499965 O\n0.503036 0.500045 0.240340 O\n0.243357 0.240491 0.500005 O\n0.762696 0.240198 0.500035 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Sr4 Lu2 Ta2 O12",
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},
{
"id": "jvasp-102354",
"created_at": "2022-09-04T14:37:16.261037Z",
"updated_at": "2022-09-04T14:37:16.261058Z",
"structure_string": "Sr4 Mg2\n1.0\n6.807324 0.174402 -1.656874\n-4.171592 5.382183 -1.656874\n-0.082726 -0.174402 7.005573\nSr Mg\n4 2\ndirect\n0.665716 0.834283 0.500000 Sr\n0.334283 0.165716 0.500000 Sr\n0.165716 0.665716 0.831433 Sr\n0.834283 0.334283 0.168567 Sr\n0.250000 0.250000 0.000000 Mg\n0.749999 0.749999 0.000001 Mg\n",
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],
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"formula_full": "Sr4 Mg2",
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},
{
"id": "jvasp-94365",
"created_at": "2022-09-04T14:36:13.817855Z",
"updated_at": "2022-09-04T14:36:13.817875Z",
"structure_string": "Sr4 Mg2\n1.0\n4.145157 -0.000000 0.000000\n-2.072578 3.589810 -0.000000\n-0.000000 0.000000 17.812764\nSr Mg\n4 2\ndirect\n0.333333 0.666667 0.901992 Sr\n0.333333 0.666667 0.598007 Sr\n0.666667 0.333333 0.401992 Sr\n0.666667 0.333333 0.098007 Sr\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
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}
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}