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{
"id": "jvasp-74519",
"created_at": "2022-09-04T14:35:45.262302Z",
"updated_at": "2022-09-04T14:35:45.262322Z",
"structure_string": "Be1 Zn1 Sb2\n1.0\n-2.349522 2.349522 3.763980\n2.349522 -2.349522 3.763980\n2.349522 2.349522 -3.763980\nBe Zn Sb\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Zn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
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"structure_string": "Be1 Zn1 S2\n1.0\n3.495317 0.005168 5.299417\n1.594121 3.110635 5.299417\n0.008441 0.005168 6.348307\nBe Zn S\n1 1 2\ndirect\n0.500439 0.500439 0.500440 Be\n0.001506 0.001506 0.001506 Zn\n0.131407 0.131407 0.131407 S\n0.616650 0.616649 0.616651 S\n",
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],
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"formula_full": "Be1 Zn1 S2",
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{
"id": "jvasp-71211",
"created_at": "2022-09-04T14:35:51.067800Z",
"updated_at": "2022-09-04T14:35:51.067833Z",
"structure_string": "Be1 Zn1 Ru4\n1.0\n-0.000000 3.556411 3.556411\n3.556411 -0.000000 3.556411\n3.556411 3.556411 0.000000\nBe Zn Ru\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124470 0.625176 0.625176 Ru\n0.625176 0.625176 0.625176 Ru\n0.625176 0.124470 0.625176 Ru\n0.625176 0.625176 0.124470 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"density": 8.835838454712587,
"density_atomic": 0.06669379344706346,
"volume": 89.96339374161332,
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"formula_full": "Be1 Zn1 Ru4",
"formula_reduced": "BeZnRu4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66953",
"created_at": "2022-09-04T14:36:19.494601Z",
"updated_at": "2022-09-04T14:36:19.494624Z",
"structure_string": "Be1 Zn1 Ru1\n1.0\n1.353892 -2.345010 0.000000\n1.353892 2.345010 -0.000000\n0.000000 0.000000 5.995004\nBe Zn Ru\n1 1 1\ndirect\n0.000000 0.000000 0.015970 Be\n0.666666 0.333332 0.676438 Zn\n0.333332 0.666666 0.307591 Ru\n",
"nsites": 3,
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"elements": [
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"Ru"
],
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"density": 7.655194025312778,
"density_atomic": 0.07880849987347392,
"volume": 38.06695984337303,
"volume_molar": 7.641486349401998,
"formula_full": "Be1 Zn1 Ru1",
"formula_reduced": "BeZnRu",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-70709",
"created_at": "2022-09-04T14:36:13.168749Z",
"updated_at": "2022-09-04T14:36:13.168776Z",
"structure_string": "Be1 Zn1 Re1\n1.0\n1.355243 -2.347349 0.000000\n1.355243 2.347349 -0.000000\n0.000000 0.000000 6.229256\nBe Zn Re\n1 1 1\ndirect\n0.000000 -0.000000 0.996269 Be\n0.666666 0.333332 0.316430 Zn\n0.333332 0.666666 0.687303 Re\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Zn",
"Re"
],
"chemical_system": "Be-Re-Zn",
"density": 10.919668642391517,
"density_atomic": 0.07569378852487066,
"volume": 39.63337096034362,
"volume_molar": 7.955924623882855,
"formula_full": "Be1 Zn1 Re1",
"formula_reduced": "BeZnRe",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-65302",
"created_at": "2022-09-04T14:35:49.911471Z",
"updated_at": "2022-09-04T14:35:49.911509Z",
"structure_string": "Be1 Zn1 Pt4\n1.0\n-0.000000 3.698768 3.698768\n3.698768 -0.000000 3.698768\n3.698768 3.698768 -0.000000\nBe Zn Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124770 0.625077 0.625077 Pt\n0.625077 0.625077 0.625077 Pt\n0.625077 0.124770 0.625077 Pt\n0.625077 0.625077 0.124770 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zn",
"Pt"
],
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"density": 14.024603292383855,
"density_atomic": 0.05928570377949648,
"volume": 101.20483721195286,
"volume_molar": 10.157829588054435,
"formula_full": "Be1 Zn1 Pt4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-71806",
"created_at": "2022-09-04T14:36:07.989371Z",
"updated_at": "2022-09-04T14:36:07.989401Z",
"structure_string": "Be1 Zn1 Pt2\n1.0\n-1.814256 1.814256 4.178188\n1.814256 -1.814256 4.178188\n1.814256 1.814256 -4.178188\nBe Zn Pt\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n0.250000 0.750001 0.500001 Pt\n",
"nsites": 4,
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"elements": [
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"Zn",
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"density": 14.024038187055632,
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"spacegroup": 119
},
{
"id": "jvasp-69771",
"created_at": "2022-09-04T14:35:58.265333Z",
"updated_at": "2022-09-04T14:35:58.265352Z",
"structure_string": "Be1 Zn1 Pt1\n1.0\n1.405187 -2.433855 -0.000000\n1.405187 2.433855 0.000000\n-0.000000 0.000000 5.899920\nBe Zn Pt\n1 1 1\ndirect\n0.000000 0.000000 0.984852 Be\n0.333334 0.666668 0.316037 Zn\n0.666668 0.333334 0.699112 Pt\n",
"nsites": 3,
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"elements": [
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"Pt"
],
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"density": 11.089482368884468,
"density_atomic": 0.0743389310459037,
"volume": 40.35570538601805,
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"formula_full": "Be1 Zn1 Pt1",
"formula_reduced": "BeZnPt",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-75014",
"created_at": "2022-09-04T14:36:11.160134Z",
"updated_at": "2022-09-04T14:36:11.160162Z",
"structure_string": "Be1 Zn1 Pd1\n1.0\n1.397331 -2.420248 0.000000\n1.397331 2.420248 -0.000000\n0.000000 -0.000000 5.849222\nBe Zn Pd\n1 1 1\ndirect\n0.000000 0.000000 0.984811 Be\n0.666667 0.333333 0.319056 Zn\n0.333333 0.666667 0.696132 Pd\n",
"nsites": 3,
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"elements": [
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"Zn",
"Pd"
],
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"density": 7.590303996704378,
"density_atomic": 0.07582876630690354,
"volume": 39.56282221258922,
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"formula_full": "Be1 Zn1 Pd1",
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},
{
"id": "jvasp-71475",
"created_at": "2022-09-04T14:35:54.086737Z",
"updated_at": "2022-09-04T14:35:54.086766Z",
"structure_string": "Be1 Zn1 Pb1\n1.0\n1.690044 -2.927243 -0.000000\n1.690044 2.927243 0.000000\n-0.000000 0.000000 5.918475\nBe Zn Pb\n1 1 1\ndirect\n0.000000 0.000000 0.966325 Be\n0.666666 0.333332 0.726806 Zn\n0.333332 0.666666 0.306870 Pb\n",
"nsites": 3,
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"Zn",
"Pb"
],
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"density": 7.985788678164298,
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"volume": 58.559397642433765,
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"formula_full": "Be1 Zn1 Pb1",
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},
{
"id": "jvasp-74528",
"created_at": "2022-09-04T14:35:57.981018Z",
"updated_at": "2022-09-04T14:35:57.981027Z",
"structure_string": "Be1 Zn1 P4\n1.0\n0.000000 3.617498 3.617498\n3.617498 0.000000 3.617498\n3.617498 3.617498 0.000000\nBe Zn P\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.120853 0.626383 0.626383 P\n0.626383 0.626383 0.626383 P\n0.626383 0.120853 0.626383 P\n0.626383 0.626383 0.120853 P\n",
"nsites": 6,
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],
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"density": 3.478183260559946,
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"formula_full": "Be1 Zn1 P4",
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{
"id": "jvasp-69871",
"created_at": "2022-09-04T14:36:05.218077Z",
"updated_at": "2022-09-04T14:36:05.218104Z",
"structure_string": "Be1 Zn1 P1\n1.0\n1.808765 -3.132876 -0.000000\n1.808765 3.132876 0.000000\n0.000000 0.000000 3.961032\nBe Zn P\n1 1 1\ndirect\n0.000000 0.000000 0.166068 Be\n0.333334 0.666668 0.666758 Zn\n0.666668 0.333334 0.167174 P\n",
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}
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}