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{
"id": "jvasp-26348",
"created_at": "2022-09-04T14:37:41.760807Z",
"updated_at": "2022-09-04T14:37:41.760837Z",
"structure_string": "Sr2 Bi2 Cl2 O4\n1.0\n5.662214 0.000005 0.000029\n-0.000008 5.227719 -2.406063\n0.000035 -0.017206 6.844751\nSr Bi Cl O\n2 2 2 4\ndirect\n0.249998 0.609980 0.219951 Sr\n0.750002 0.390021 0.780049 Sr\n0.750001 0.083830 0.167655 Bi\n0.250000 0.916171 0.832345 Bi\n0.750000 0.744804 0.489594 Cl\n0.250000 0.255196 0.510406 Cl\n0.500001 0.236275 0.000006 O\n-0.000001 0.236272 0.000001 O\n0.000001 0.763728 -0.000001 O\n0.499998 0.763726 -0.000004 O\n",
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"formula_full": "Sr2 Bi2 Cl2 O4",
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{
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"structure_string": "Sr2 Bi2 Br2 O4\n1.0\n0.000000 5.821195 0.000064\n5.724296 0.000000 0.000000\n0.000000 -2.910537 -6.413681\nSr Bi Br O\n2 2 2 4\ndirect\n0.603686 0.750001 0.207356 Sr\n0.396315 0.250000 0.792644 Sr\n0.080608 0.250000 0.161230 Bi\n0.919393 0.750001 0.838770 Bi\n0.254910 0.750001 0.509858 Br\n0.745090 0.250000 0.490142 Br\n0.764853 0.000000 0.999990 O\n0.235148 0.500001 0.000011 O\n0.235148 -0.000000 0.000011 O\n0.764853 0.500000 0.999990 O\n",
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"formula_full": "Sr2 Bi2 Br2 O4",
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{
"id": "jvasp-18814",
"created_at": "2022-09-04T14:36:32.795697Z",
"updated_at": "2022-09-04T14:36:32.795738Z",
"structure_string": "Sr2 Bi2 Au2\n1.0\n2.749706 -4.762629 -0.000000\n2.749706 4.762629 0.000000\n0.000000 0.000000 6.607597\nSr Bi Au\n2 2 2\ndirect\n0.666668 0.333334 0.250000 Sr\n0.333334 0.666668 0.750000 Sr\n0.333334 0.666668 0.250000 Bi\n0.666668 0.333334 0.750000 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Au-Bi-Sr",
"density": 9.471496964645159,
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"volume": 173.0639279233631,
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"formula_full": "Sr2 Bi2 Au2",
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"spacegroup": 194
},
{
"id": "jvasp-40299",
"created_at": "2022-09-04T14:37:54.074902Z",
"updated_at": "2022-09-04T14:37:54.074921Z",
"structure_string": "Sr2 Bi1 Au1\n1.0\n0.000000 3.975490 3.975490\n3.975490 -0.000000 3.975490\n3.975490 3.975490 -0.000000\nSr Bi Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 Sr\n0.750000 0.750000 0.750000 Bi\n0.250001 0.250001 0.250001 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Bi-Sr",
"density": 7.68003101644595,
"density_atomic": 0.031831565609783286,
"volume": 125.66142831412031,
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"formula_full": "Sr2 Bi1 Au1",
"formula_reduced": "Sr2BiAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-24616",
"created_at": "2022-09-04T14:37:17.876434Z",
"updated_at": "2022-09-04T14:37:17.876460Z",
"structure_string": "Sr2 Be6 O8\n1.0\n2.310992 -4.002756 0.000000\n2.310992 4.002756 -0.000000\n0.000000 0.000000 8.975221\nSr Be O\n2 6 8\ndirect\n0.666667 0.333332 0.250000 Sr\n0.333332 0.666667 0.750000 Sr\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.333332 0.666667 0.428923 Be\n0.333332 0.666667 0.071077 Be\n0.666667 0.333332 0.571077 Be\n0.666667 0.333332 0.928923 Be\n0.665228 0.665228 0.500000 O\n0.334771 -0.000000 0.000000 O\n0.666667 0.333332 0.750000 O\n0.333332 0.666667 0.250000 O\n0.665228 0.665228 0.000000 O\n0.334771 -0.000000 0.500000 O\n-0.000000 0.334771 0.500000 O\n-0.000000 0.334771 0.000000 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Be-O-Sr",
"density": 3.5732177796973024,
"density_atomic": 0.09635788891418452,
"volume": 166.0476394854339,
"volume_molar": 6.249764111543856,
"formula_full": "Sr2 Be6 O8",
"formula_reduced": "SrBe3O4",
"formula_anonymous": "AB3C4",
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"spacegroup": 190
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{
"id": "jvasp-10879",
"created_at": "2022-09-04T14:37:08.869506Z",
"updated_at": "2022-09-04T14:37:08.869525Z",
"structure_string": "Sr2 Be4 N4\n1.0\n4.833233 0.000958 -2.603232\n-3.109617 4.515199 -0.283250\n0.000660 -0.000958 5.489714\nSr Be N\n2 4 4\ndirect\n-0.000001 0.750000 0.749999 Sr\n-0.000000 0.250000 0.250000 Sr\n0.754062 0.127031 0.627031 Be\n0.499999 0.627031 0.872968 Be\n0.245937 0.872969 0.372968 Be\n0.500000 0.372969 0.127031 Be\n0.500000 0.167947 0.332053 N\n0.835893 0.667948 0.167947 N\n0.164106 0.332053 0.832052 N\n0.499999 0.832053 0.667947 N\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Be-N-Sr",
"density": 3.7047115674820232,
"density_atomic": 0.08346052587819346,
"volume": 119.81712186422727,
"volume_molar": 7.215555733244503,
"formula_full": "Sr2 Be4 N4",
"formula_reduced": "Sr(BeN)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 140
},
{
"id": "jvasp-68533",
"created_at": "2022-09-04T14:35:47.619577Z",
"updated_at": "2022-09-04T14:35:47.619597Z",
"structure_string": "Sr2 Be2 Cr1\n1.0\n-2.958940 2.958940 3.657755\n2.958940 -2.958940 3.657755\n2.958940 2.958940 -3.657755\nSr Be Cr\n2 2 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.639660 0.639660 0.000000 Be\n0.360339 0.360339 0.000000 Be\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Be-Cr-Sr",
"density": 3.179286905939289,
"density_atomic": 0.039032204698527695,
"volume": 128.09934869471007,
"volume_molar": 15.428646182077326,
"formula_full": "Sr2 Be2 Cr1",
"formula_reduced": "Sr2Be2Cr",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6892604439999996,
"spacegroup": 139
},
{
"id": "jvasp-71839",
"created_at": "2022-09-04T14:35:50.175554Z",
"updated_at": "2022-09-04T14:35:50.175590Z",
"structure_string": "Sr2 Be2 Bi1\n1.0\n-1.833540 1.833540 9.980232\n1.833540 -1.833540 9.980232\n1.833540 1.833540 -9.980232\nSr Be Bi\n2 2 1\ndirect\n0.616260 0.616260 0.000000 Sr\n0.383740 0.383740 0.000000 Sr\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Be\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 5,
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"elements": [
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"density": 4.976890562213679,
"density_atomic": 0.037255345756500434,
"volume": 134.20892756384052,
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"formula_full": "Sr2 Be2 Bi1",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-20382",
"created_at": "2022-09-04T14:37:33.776412Z",
"updated_at": "2022-09-04T14:37:33.776439Z",
"structure_string": "Sr2 Be26\n1.0\n6.368834 -0.000000 3.677048\n2.122945 6.004595 3.677048\n-0.000000 -0.000000 7.354097\nSr Be\n2 26\ndirect\n0.749999 0.749999 0.750001 Sr\n0.250000 0.250000 0.250000 Sr\n0.934400 0.285290 0.714711 Be\n0.714710 0.065599 0.934402 Be\n0.065599 0.714710 0.285291 Be\n0.214710 0.434400 0.565600 Be\n0.434400 0.565599 0.214711 Be\n0.565599 0.214710 0.434401 Be\n0.214710 0.565599 0.785291 Be\n0.214710 0.785289 0.434402 Be\n0.785289 0.565599 0.434402 Be\n0.285289 0.714710 0.934402 Be\n0.285290 0.065599 0.714711 Be\n0.065599 0.934400 0.714711 Be\n0.000000 0.000000 0.000000 Be\n0.714710 0.285290 0.065600 Be\n0.934400 0.065599 0.285291 Be\n0.065599 0.285290 0.934401 Be\n0.785289 0.434400 0.214711 Be\n0.434400 0.785289 0.565601 Be\n0.434400 0.214710 0.785291 Be\n0.565599 0.785289 0.214711 Be\n0.785289 0.214710 0.565600 Be\n0.565599 0.434400 0.785291 Be\n0.285289 0.934400 0.065600 Be\n0.499999 0.500000 0.500001 Be\n0.934400 0.714710 0.065601 Be\n0.714709 0.934400 0.285291 Be\n",
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"volume": 281.23735419813227,
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"formula_full": "Sr2 Be26",
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"formula_anonymous": "AB13",
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"spacegroup": 226
},
{
"id": "jvasp-74253",
"created_at": "2022-09-04T14:35:59.330411Z",
"updated_at": "2022-09-04T14:35:59.330431Z",
"structure_string": "Sr2 Be1 Zn1\n1.0\n-2.697474 2.697474 3.811502\n2.697474 -2.697474 3.811502\n2.697474 2.697474 -3.811502\nSr Be Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Zn\n",
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"formula_full": "Sr2 Be1 Zn1",
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"spacegroup": 225
},
{
"id": "jvasp-74456",
"created_at": "2022-09-04T14:36:05.068343Z",
"updated_at": "2022-09-04T14:36:05.068358Z",
"structure_string": "Sr2 Be1 W1\n1.0\n-2.659052 2.659052 3.760014\n2.659052 -2.659052 3.760014\n2.659052 2.659052 -3.760014\nSr Be W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.749999 0.250000 0.500000 Be\n0.250000 0.749999 0.500000 W\n",
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},
{
"id": "jvasp-74579",
"created_at": "2022-09-04T14:35:49.492697Z",
"updated_at": "2022-09-04T14:35:49.492719Z",
"structure_string": "Sr2 Be1 V1\n1.0\n-2.379811 2.379811 4.821290\n2.379811 -2.379811 4.821290\n2.379811 2.379811 -4.821290\nSr Be V\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 V\n",
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}
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}