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{
"id": "jvasp-26408",
"created_at": "2022-09-04T14:37:40.735780Z",
"updated_at": "2022-09-04T14:37:40.735800Z",
"structure_string": "Sr2 Bi2 I2 O4\n1.0\n0.000000 5.925234 0.000001\n5.817488 0.000000 0.000000\n0.000000 -2.962543 -6.769170\nSr Bi I O\n2 2 2 4\ndirect\n0.594047 0.750000 0.188095 Sr\n0.405953 0.250000 0.811905 Sr\n0.924552 0.750000 0.849105 Bi\n0.075448 0.250000 0.150895 Bi\n0.255031 0.750000 0.510062 I\n0.744969 0.250000 0.489938 I\n0.233281 0.499999 0.000001 O\n0.233281 0.000001 0.000001 O\n0.766719 -0.000001 -0.000001 O\n0.766719 0.500001 -0.000001 O\n",
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{
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"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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{
"id": "jvasp-26404",
"created_at": "2022-09-04T14:37:41.146082Z",
"updated_at": "2022-09-04T14:37:41.146102Z",
"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",
"nsites": 10,
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"elements": [
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"density": 6.34797396601904,
"density_atomic": 0.046790811892529885,
"volume": 213.71717214414252,
"volume_molar": 12.870348934811773,
"formula_full": "Sr2 Bi2 Br2 O4",
"formula_reduced": "SrBiBrO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-51293",
"created_at": "2022-09-04T14:36:35.124967Z",
"updated_at": "2022-09-04T14:36:35.124993Z",
"structure_string": "Sr1 Bi1 B1\n1.0\n-0.000000 3.656932 3.656932\n3.656932 0.000000 3.656932\n3.656932 3.656932 -0.000000\nSr Bi B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 B\n",
"nsites": 3,
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"density": 5.219013451678754,
"density_atomic": 0.03067189471035003,
"volume": 97.80941243866717,
"volume_molar": 19.634068311951616,
"formula_full": "Sr1 Bi1 B1",
"formula_reduced": "SrBiB",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"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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],
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"density": 9.471496964645159,
"density_atomic": 0.03466926974324161,
"volume": 173.0639279233631,
"volume_molar": 17.37025557388312,
"formula_full": "Sr2 Bi2 Au2",
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"spacegroup": 194
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{
"id": "jvasp-123851",
"created_at": "2022-09-04T14:38:54.583820Z",
"updated_at": "2022-09-04T14:38:54.583847Z",
"structure_string": "Sr1 Bi5\n1.0\n2.283295 -3.954793 0.000000\n2.283295 3.954793 -0.000000\n-0.000000 -0.000000 12.139996\nSr Bi\n1 5\ndirect\n0.000000 0.000000 0.249992 Sr\n0.666665 0.333332 0.067058 Bi\n0.666665 0.333332 0.585339 Bi\n0.333332 0.666665 0.432941 Bi\n0.333332 0.666665 0.914662 Bi\n0.000000 0.000000 0.750008 Bi\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Bi-Sr",
"density": 8.577513751032745,
"density_atomic": 0.02736635325269036,
"volume": 219.24733429398913,
"volume_molar": 22.005638472886297,
"formula_full": "Sr1 Bi5",
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"formula_anonymous": "AB5",
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"spacegroup": 164
},
{
"id": "jvasp-18340",
"created_at": "2022-09-04T14:38:07.227552Z",
"updated_at": "2022-09-04T14:38:07.227567Z",
"structure_string": "Sr1 Bi3\n1.0\n5.070098 0.000000 0.000000\n0.000000 5.070098 -0.000000\n0.000000 -0.000000 5.070098\nSr Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Bi-Sr",
"density": 9.104151298583481,
"density_atomic": 0.030690992256144536,
"volume": 130.33140038667776,
"volume_molar": 19.6218509644123,
"formula_full": "Sr1 Bi3",
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"spacegroup": 221
},
{
"id": "jvasp-24301",
"created_at": "2022-09-04T14:38:28.922773Z",
"updated_at": "2022-09-04T14:38:28.922804Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
"nsites": 34,
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"elements": [
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"density": 5.662302708858507,
"density_atomic": 0.08178199099042041,
"volume": 415.7394505592633,
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"formula_full": "Sr2 Bi4 B8 O20",
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{
"id": "jvasp-119921",
"created_at": "2022-09-04T14:38:52.076659Z",
"updated_at": "2022-09-04T14:38:52.076671Z",
"structure_string": "Sr1 B1 H1\n1.0\n3.560384 0.000000 -0.000000\n-0.000000 3.560384 -0.000000\n-0.000000 0.000000 6.310556\nSr B H\n1 1 1\ndirect\n0.000000 0.000000 0.651600 Sr\n0.000000 0.000000 0.222829 B\n0.000000 0.000000 0.030794 H\n",
"nsites": 3,
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"elements": [
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"formula_full": "Sr1 B1 H1",
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},
{
"id": "jvasp-119920",
"created_at": "2022-09-04T14:38:53.900883Z",
"updated_at": "2022-09-04T14:38:53.900910Z",
"structure_string": "Sr1 B1 H1\n1.0\n4.539754 0.000000 -0.000000\n-2.269877 3.931542 0.000000\n-0.000000 -0.000000 3.424324\nSr B H\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 B\n0.333332 0.666666 0.000000 H\n",
"nsites": 3,
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"volume": 61.11813440242793,
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},
{
"id": "jvasp-70789",
"created_at": "2022-09-04T14:36:11.238908Z",
"updated_at": "2022-09-04T14:36:11.238924Z",
"structure_string": "Sr1 Be1 W2\n1.0\n2.770180 -0.000000 -0.000000\n-0.000000 2.770180 -0.000000\n0.000000 0.000000 9.094313\nSr Be W\n1 1 2\ndirect\n0.500000 0.500000 0.725366 Sr\n0.000000 0.000000 0.458311 Be\n0.000000 0.000000 0.033711 W\n0.500000 0.500000 0.282612 W\n",
"nsites": 4,
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"formula_full": "Sr1 Be1 W2",
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},
{
"id": "jvasp-67907",
"created_at": "2022-09-04T14:35:45.988981Z",
"updated_at": "2022-09-04T14:35:45.989012Z",
"structure_string": "Sr1 Be1 V2\n1.0\n-2.294575 2.294575 3.247009\n2.294575 -2.294575 3.247009\n2.294575 2.294575 -3.247009\nSr Be V\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Sr\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750001 0.500001 V\n",
"nsites": 4,
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"formula_full": "Sr1 Be1 V2",
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}