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{
"id": "jvasp-67661",
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{
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"structure_string": "Sr1 Be1 Cl4\n1.0\n-0.000000 4.245941 4.245941\n4.245941 0.000000 4.245941\n4.245941 4.245941 0.000000\nSr Be Cl\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.625281 0.124157 0.625281 Cl\n0.124157 0.625281 0.625281 Cl\n0.625281 0.625281 0.625281 Cl\n0.625281 0.625281 0.124157 Cl\n",
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"formula_full": "Sr1 Be1 Cl4",
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{
"id": "jvasp-67162",
"created_at": "2022-09-04T14:35:48.413943Z",
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"structure_string": "Sr1 Be1 Cl1\n1.0\n-1.855383 1.855383 6.345493\n1.855383 -1.855383 6.345493\n1.855383 1.855383 -6.345493\nSr Be Cl\n1 1 1\ndirect\n0.678272 0.678272 0.000000 Sr\n0.028009 0.028009 0.000000 Be\n0.293718 0.293718 0.000000 Cl\n",
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"elements": [
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"density_atomic": 0.03433434351536264,
"volume": 87.37606993003006,
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"formula_full": "Sr1 Be1 Cl1",
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{
"id": "jvasp-68424",
"created_at": "2022-09-04T14:36:02.040437Z",
"updated_at": "2022-09-04T14:36:02.040464Z",
"structure_string": "Sr1 Be1 Cl1\n1.0\n2.074248 -3.592704 -0.000000\n2.074248 3.592704 0.000000\n-0.000000 0.000000 6.544101\nSr Be Cl\n1 1 1\ndirect\n0.666667 0.333334 0.355821 Sr\n0.000000 -0.000000 0.040452 Be\n0.333334 0.666667 0.603726 Cl\n",
"nsites": 3,
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"density": 2.2487495514040594,
"density_atomic": 0.030758074748813286,
"volume": 97.53536346145158,
"volume_molar": 19.579056261420742,
"formula_full": "Sr1 Be1 Cl1",
"formula_reduced": "SrBeCl",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-70935",
"created_at": "2022-09-04T14:36:10.489342Z",
"updated_at": "2022-09-04T14:36:10.489362Z",
"structure_string": "Sr1 Be1 Cd4\n1.0\n0.000000 4.185128 4.185128\n4.185128 0.000000 4.185128\n4.185128 4.185128 0.000000\nSr Be Cd\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.123686 0.625438 0.625438 Cd\n0.625438 0.625438 0.625438 Cd\n0.625438 0.123686 0.625438 Cd\n0.625438 0.625438 0.123686 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Be-Cd-Sr",
"density": 6.187356384318909,
"density_atomic": 0.04092559659670072,
"volume": 146.6075145862064,
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"formula_full": "Sr1 Be1 Cd4",
"formula_reduced": "SrBeCd4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-75010",
"created_at": "2022-09-04T14:36:05.299888Z",
"updated_at": "2022-09-04T14:36:05.299918Z",
"structure_string": "Sr1 Be1 Cd2\n1.0\n-2.530819 2.530819 3.579819\n2.530819 -2.530819 3.579819\n2.530819 2.530819 -3.579819\nSr Be Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.820026271492313,
"density_atomic": 0.043613080069914135,
"volume": 91.71560443765455,
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"formula_full": "Sr1 Be1 Cd2",
"formula_reduced": "SrBeCd2",
"formula_anonymous": "ABC2",
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"spacegroup": 216
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{
"id": "jvasp-74242",
"created_at": "2022-09-04T14:36:08.468355Z",
"updated_at": "2022-09-04T14:36:08.468380Z",
"structure_string": "Sr1 Be1 Cd2\n1.0\n4.553920 0.000000 0.000000\n0.000000 4.553920 0.000000\n0.000000 0.000000 4.835135\nSr Be Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Be\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 5.3233960657967145,
"density_atomic": 0.039891520764892933,
"volume": 100.27193557183845,
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"formula_full": "Sr1 Be1 Cd2",
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"spacegroup": 123
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{
"id": "jvasp-74304",
"created_at": "2022-09-04T14:36:07.365099Z",
"updated_at": "2022-09-04T14:36:07.365130Z",
"structure_string": "Sr1 Be1 Br2\n1.0\n-2.691719 2.691719 3.804316\n2.691719 -2.691719 3.804316\n2.691719 2.691719 -3.804316\nSr Be Br\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Br\n0.500001 0.500001 0.000000 Br\n",
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"density": 3.8622391217454384,
"density_atomic": 0.036279724131482026,
"volume": 110.25442160209172,
"volume_molar": 16.599191157504524,
"formula_full": "Sr1 Be1 Br2",
"formula_reduced": "SrBeBr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-120881",
"created_at": "2022-09-04T14:38:50.868800Z",
"updated_at": "2022-09-04T14:38:50.868821Z",
"structure_string": "Sr1 Be1 Br2\n1.0\n-0.000000 3.807634 3.807634\n3.807634 -0.000000 3.807634\n3.807634 3.807634 0.000000\nSr Be Br\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 Br\n0.250000 0.250000 0.250000 Br\n",
"nsites": 4,
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"elements": [
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"density": 3.856910754004585,
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"volume": 110.40673938718466,
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"formula_full": "Sr1 Be1 Br2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-120879",
"created_at": "2022-09-04T14:38:52.464771Z",
"updated_at": "2022-09-04T14:38:52.464795Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n5.478461 -0.000000 -0.000000\n-2.739230 4.744486 0.000000\n0.000000 0.000000 3.857754\nSr Be Br\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Sr\n0.000000 0.000000 0.000000 Be\n0.333334 0.666668 0.000000 Br\n",
"nsites": 3,
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"density_atomic": 0.02991844246393114,
"volume": 100.27259953845252,
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"formula_full": "Sr1 Be1 Br1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-120880",
"created_at": "2022-09-04T14:38:52.179995Z",
"updated_at": "2022-09-04T14:38:52.180013Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n3.963191 0.000000 -0.000000\n0.000000 3.963191 0.000000\n-0.000000 -0.000000 8.162748\nSr Be Br\n1 1 1\ndirect\n0.000000 0.000000 0.023164 Sr\n0.000000 0.000000 0.394239 Be\n0.000000 0.000000 0.649434 Br\n",
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"volume": 128.21132699846098,
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"formula_full": "Sr1 Be1 Br1",
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},
{
"id": "jvasp-65227",
"created_at": "2022-09-04T14:35:55.479659Z",
"updated_at": "2022-09-04T14:35:55.479682Z",
"structure_string": "Sr1 Be1 Bi4\n1.0\n0.000000 4.661785 4.661785\n4.661785 0.000000 4.661785\n4.661785 4.661785 0.000000\nSr Be Bi\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.121788 0.626071 0.626071 Bi\n0.626071 0.626071 0.626071 Bi\n0.626071 0.121788 0.626071 Bi\n0.626071 0.626071 0.121788 Bi\n",
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"formula_full": "Sr1 Be1 Bi4",
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