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{
"id": "jvasp-117941",
"created_at": "2022-09-04T14:38:54.288360Z",
"updated_at": "2022-09-04T14:38:54.288389Z",
"structure_string": "C2 S1\n1.0\n3.768559 0.000000 0.000000\n0.000000 3.792557 0.000000\n0.000000 0.000000 6.691862\nC S\n2 1\ndirect\n0.026298 0.000000 0.245904 C\n0.026298 0.000000 0.754096 C\n0.073905 0.000000 0.000000 S\n",
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{
"id": "jvasp-121079",
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"updated_at": "2022-09-04T14:38:54.260998Z",
"structure_string": "H1 C2\n1.0\n2.850313 0.000000 -0.061613\n0.000000 1.555549 0.000000\n-0.055040 0.000000 3.974592\nH C\n1 2\ndirect\n0.597802 0.000000 -0.085735 H\n-0.141402 0.000000 -0.570491 C\n-0.056402 0.000000 0.056227 C\n",
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{
"id": "jvasp-123655",
"created_at": "2022-09-04T14:38:55.147309Z",
"updated_at": "2022-09-04T14:38:55.147339Z",
"structure_string": "Cr1 Se2\n1.0\n1.766504 -3.046490 -0.099007\n1.755086 3.039897 -0.000000\n0.139394 -0.080479 5.700026\nCr Se\n1 2\ndirect\n0.000000 0.333350 0.166667 Cr\n0.666977 0.666814 0.420132 Se\n0.333020 -0.000166 0.913202 Se\n",
"nsites": 3,
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"volume": 61.14221700062508,
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"formula_full": "Cr1 Se2",
"formula_reduced": "CrSe2",
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"spacegroup": 164
},
{
"id": "jvasp-123647",
"created_at": "2022-09-04T14:38:54.691124Z",
"updated_at": "2022-09-04T14:38:54.691148Z",
"structure_string": "Bi1 Se2\n1.0\n2.105397 -3.647909 -0.281014\n2.106485 3.648537 -0.000000\n-0.347144 0.200424 5.595064\nBi Se\n1 2\ndirect\n0.000001 0.333294 0.166667 Bi\n0.724098 0.695403 0.474318 Se\n0.275905 -0.028694 0.859015 Se\n",
"nsites": 3,
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"elements": [
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"density": 7.125881114945888,
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"volume": 85.49854227476725,
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"formula_full": "Bi1 Se2",
"formula_reduced": "BiSe2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-123641",
"created_at": "2022-09-04T14:38:54.810392Z",
"updated_at": "2022-09-04T14:38:54.810419Z",
"structure_string": "Ar1 Se2\n1.0\n2.563509 -3.573510 -0.485135\n1.812997 3.140201 -0.000000\n-0.615524 0.355373 6.868901\nAr Se\n1 2\ndirect\n0.000000 0.333266 0.166667 Ar\n0.719428 0.693081 0.590734 Se\n0.280574 -0.026346 0.742600 Se\n",
"nsites": 3,
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"elements": [
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"Se"
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"chemical_system": "Ar-Se",
"density": 3.334157176057075,
"density_atomic": 0.030442664559886288,
"volume": 98.54590731039497,
"volume_molar": 19.781910838170383,
"formula_full": "Ar1 Se2",
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{
"id": "jvasp-121285",
"created_at": "2022-09-04T14:38:55.136554Z",
"updated_at": "2022-09-04T14:38:55.136580Z",
"structure_string": "As1 Br2\n1.0\n5.169354 -0.000000 0.000000\n-2.584677 4.476792 -0.000000\n-0.000000 0.000000 3.409386\nAs Br\n1 2\ndirect\n0.000000 0.000000 0.000000 As\n0.333333 0.666667 0.000000 Br\n0.666666 0.333333 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"density": 4.94012106470034,
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"volume": 78.90042891307861,
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"formula_full": "As1 Br2",
"formula_reduced": "AsBr2",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-123666",
"created_at": "2022-09-04T14:38:55.037892Z",
"updated_at": "2022-09-04T14:38:55.037917Z",
"structure_string": "H1 Se2\n1.0\n2.746838 -3.538859 -0.471050\n1.691324 2.929458 -0.000000\n-0.629350 0.363355 4.377601\nH Se\n1 2\ndirect\n-0.000000 0.000038 0.166667 H\n0.769694 0.884829 0.452545 Se\n0.230304 0.115135 0.880788 Se\n",
"nsites": 3,
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"elements": [
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"volume": 60.26901358153189,
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{
"id": "jvasp-117840",
"created_at": "2022-09-04T14:38:52.973321Z",
"updated_at": "2022-09-04T14:38:52.973351Z",
"structure_string": "P1 Br2\n1.0\n8.262770 0.000000 -5.268526\n0.000000 2.795434 0.000000\n-5.146147 0.000000 6.781929\nP Br\n1 2\ndirect\n0.075733 0.000000 0.404819 P\n-0.074320 0.000000 -0.048344 Br\n0.225681 0.000000 -0.142110 Br\n",
"nsites": 3,
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"density": 3.91800233386243,
"density_atomic": 0.037102228189949175,
"volume": 80.85767745918523,
"volume_molar": 16.231210506196422,
"formula_full": "P1 Br2",
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"spacegroup": 65
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{
"id": "jvasp-123692",
"created_at": "2022-09-04T14:38:52.871000Z",
"updated_at": "2022-09-04T14:38:52.871016Z",
"structure_string": "Pb1 Se2\n1.0\n2.397684 -3.996667 -0.897470\n2.262376 3.918547 -0.000001\n-1.161625 0.670664 5.756253\nPb Se\n1 2\ndirect\n0.000000 0.333365 0.166667 Pb\n0.811598 0.739117 0.444196 Se\n0.188403 -0.072481 0.889137 Se\n",
"nsites": 3,
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"elements": [
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"density": 6.021804947402711,
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"volume": 100.68343782182714,
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"formula_full": "Pb1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-117638",
"created_at": "2022-09-04T14:38:52.748254Z",
"updated_at": "2022-09-04T14:38:52.748281Z",
"structure_string": "Be2 Br1\n1.0\n4.365193 0.000000 0.000000\n-2.182596 3.780368 -0.000000\n-0.000000 -0.000000 3.101135\nBe Br\n2 1\ndirect\n0.333334 0.666668 0.000000 Be\n0.666667 0.333334 0.000000 Be\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"volume": 51.175041196956116,
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"formula_full": "Be2 Br1",
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"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-123688",
"created_at": "2022-09-04T14:38:52.745697Z",
"updated_at": "2022-09-04T14:38:52.745721Z",
"structure_string": "Se2 O1\n1.0\n1.838572 -3.402694 0.029554\n2.027535 3.511792 0.000000\n0.034759 -0.020068 4.408377\nSe O\n2 1\ndirect\n0.746207 0.783059 0.473363 Se\n0.253792 0.036852 0.859971 Se\n-0.000000 0.180087 0.166667 O\n",
"nsites": 3,
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"spacegroup": 5
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{
"id": "jvasp-118132",
"created_at": "2022-09-04T14:38:52.700314Z",
"updated_at": "2022-09-04T14:38:52.700330Z",
"structure_string": "P1 Cl2\n1.0\n4.744999 -0.000000 0.000000\n-2.372500 4.109290 0.000000\n0.000000 0.000000 3.150925\nP Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 P\n0.333334 0.666667 0.000000 Cl\n0.666667 0.333334 0.000000 Cl\n",
"nsites": 3,
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}