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{
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"results": [
{
"id": "jvasp-96805",
"created_at": "2022-09-04T14:35:59.668193Z",
"updated_at": "2022-09-04T14:35:59.668225Z",
"structure_string": "La8 S6 N2 Cl6\n1.0\n9.432919 0.000000 0.000000\n-4.716459 8.169147 0.000000\n0.000000 0.000000 7.000642\nLa S N Cl\n8 6 2 6\ndirect\n0.200473 0.400946 0.250753 La\n0.200473 0.799527 0.250753 La\n0.333333 0.666667 0.710576 La\n0.799527 0.200473 0.750753 La\n0.400946 0.200473 0.750753 La\n0.799527 0.599054 0.750753 La\n0.599054 0.799527 0.250753 La\n0.666667 0.333333 0.210577 La\n0.061371 0.530686 0.970309 S\n0.938629 0.469314 0.470309 S\n0.530686 0.469314 0.470309 S\n0.530686 0.061371 0.470309 S\n0.469314 0.938629 0.970309 S\n0.469314 0.530686 0.970309 S\n0.333333 0.666667 0.366189 N\n0.666667 0.333333 0.866189 N\n0.869496 0.738993 0.143248 Cl\n0.130504 0.869497 0.643248 Cl\n0.869496 0.130504 0.143248 Cl\n0.130504 0.261008 0.643248 Cl\n0.261007 0.130504 0.143248 Cl\n0.738993 0.869497 0.643248 Cl\n",
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"formula_full": "La8 S6 N2 Cl6",
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{
"id": "jvasp-5794",
"created_at": "2022-09-04T14:38:39.809659Z",
"updated_at": "2022-09-04T14:38:39.809683Z",
"structure_string": "Ag6 P2 Se8\n1.0\n6.681601 0.000000 0.000000\n0.000000 7.374814 0.000000\n0.000000 0.000000 7.962352\nAg P Se\n6 2 8\ndirect\n0.036024 0.776294 0.702369 Ag\n0.536024 0.223705 0.797631 Ag\n0.536024 0.223705 0.202369 Ag\n0.036024 0.776294 0.297631 Ag\n0.910494 0.337200 0.000000 Ag\n0.410494 0.662799 0.500000 Ag\n0.005086 0.298053 0.500000 P\n0.505086 0.701947 0.000000 P\n0.909554 0.133560 0.272738 Se\n0.409554 0.866440 0.227262 Se\n0.336363 0.435294 0.000000 Se\n0.836363 0.564705 0.500000 Se\n0.409554 0.866440 0.772738 Se\n0.909554 0.133560 0.727262 Se\n0.342990 0.310601 0.500000 Se\n0.842990 0.689398 0.000000 Se\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.04077997926001311,
"volume": 392.34939032175606,
"volume_molar": 14.767395347611231,
"formula_full": "Ag6 P2 Se8",
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"formula_anonymous": "AB3C4",
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"spacegroup": 31
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{
"id": "jvasp-122062",
"created_at": "2022-09-04T14:38:54.400900Z",
"updated_at": "2022-09-04T14:38:54.400925Z",
"structure_string": "Dy16 Ga6 Co2\n1.0\n9.941668 -0.000000 0.000000\n-4.970833 8.609737 0.000000\n-0.000000 -0.000000 6.875689\nDy Ga Co\n16 6 2\ndirect\n0.172469 0.827531 0.511494 Dy\n0.000000 0.000000 0.732259 Dy\n0.000000 0.000000 0.232259 Dy\n0.536827 0.073652 0.707812 Dy\n0.926349 0.463174 0.707812 Dy\n0.463174 0.926349 0.207812 Dy\n0.073652 0.536827 0.207812 Dy\n0.463174 0.536827 0.207812 Dy\n0.536827 0.463174 0.707812 Dy\n0.333334 0.666667 0.827191 Dy\n0.827532 0.655063 0.011494 Dy\n0.344938 0.172469 0.011494 Dy\n0.827531 0.172469 0.011494 Dy\n0.172469 0.344938 0.511494 Dy\n0.655063 0.827531 0.511494 Dy\n0.666667 0.333333 0.327191 Dy\n0.163787 0.836213 0.958964 Ga\n0.672427 0.836213 0.958964 Ga\n0.163787 0.327574 0.958964 Ga\n0.836213 0.163787 0.458964 Ga\n0.327574 0.163787 0.458964 Ga\n0.836214 0.672426 0.458964 Ga\n0.333334 0.666667 0.443160 Co\n0.666667 0.333333 0.943160 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"Ga",
"Co"
],
"chemical_system": "Co-Dy-Ga",
"density": 8.848875608455415,
"density_atomic": 0.04077987366143424,
"volume": 588.5256094527075,
"volume_molar": 14.76743358745413,
"formula_full": "Dy16 Ga6 Co2",
"formula_reduced": "Dy8Ga3Co",
"formula_anonymous": "AB3C8",
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"spacegroup": 186
},
{
"id": "jvasp-42090",
"created_at": "2022-09-04T14:37:43.759049Z",
"updated_at": "2022-09-04T14:37:43.759079Z",
"structure_string": "Pa3 Te1\n1.0\n4.611823 -0.000000 0.000000\n-0.000000 4.611823 0.000000\n-0.000000 -0.000000 4.611823\nPa Te\n3 1\ndirect\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pa-Te",
"density": 13.893756432488537,
"density_atomic": 0.040779518977313786,
"volume": 98.08845470259851,
"volume_molar": 14.767562028748305,
"formula_full": "Pa3 Te1",
"formula_reduced": "Pa3Te",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-54952",
"created_at": "2022-09-04T14:38:11.614896Z",
"updated_at": "2022-09-04T14:38:11.614918Z",
"structure_string": "Dy16 Cd4 Co4\n1.0\n8.146270 -0.000000 4.703252\n2.715423 7.680377 4.703252\n-0.000000 -0.000000 9.406502\nDy Cd Co\n16 4 4\ndirect\n0.346646 0.346647 0.346646 Dy\n0.188410 0.811590 0.811589 Dy\n0.346646 0.960062 0.346646 Dy\n0.188410 0.188410 0.811589 Dy\n0.562243 0.937757 0.562243 Dy\n0.811590 0.188410 0.188410 Dy\n0.937756 0.562244 0.937756 Dy\n0.937756 0.937757 0.562243 Dy\n0.937756 0.562244 0.562243 Dy\n0.562243 0.937757 0.937756 Dy\n0.346646 0.346647 0.960061 Dy\n0.960061 0.346647 0.346646 Dy\n0.562243 0.562244 0.937756 Dy\n0.811589 0.811590 0.188410 Dy\n0.811590 0.188410 0.811589 Dy\n0.188410 0.811590 0.188410 Dy\n0.581089 0.581089 0.581089 Cd\n0.581089 0.256733 0.581089 Cd\n0.581089 0.581089 0.256733 Cd\n0.256733 0.581089 0.581089 Cd\n0.577192 0.140936 0.140936 Co\n0.140936 0.140936 0.577192 Co\n0.140936 0.140936 0.140936 Co\n0.140935 0.577192 0.140936 Co\n",
"nsites": 24,
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"Co"
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"density": 9.269681023642459,
"density_atomic": 0.04077948632288109,
"volume": 588.53119948531,
"volume_molar": 14.7675738539674,
"formula_full": "Dy16 Cd4 Co4",
"formula_reduced": "Dy4CdCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2496994416666662,
"spacegroup": 216
},
{
"id": "jvasp-98223",
"created_at": "2022-09-04T14:36:08.638299Z",
"updated_at": "2022-09-04T14:36:08.638327Z",
"structure_string": "Hg4 P2 Cl4\n1.0\n5.609505 -0.031704 2.020616\n-0.198053 5.606097 2.020616\n-0.023776 -0.024492 7.781881\nHg P Cl\n4 2 4\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.287446 0.287447 0.430060 Hg\n0.712553 0.712554 0.569941 Hg\n0.359627 0.359627 0.086705 P\n0.640372 0.640374 0.913296 P\n0.273115 0.726886 0.500000 Cl\n0.726884 0.273116 0.500000 Cl\n0.894631 0.894632 0.216915 Cl\n0.105368 0.105369 0.783086 Cl\n",
"nsites": 10,
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"elements": [
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"density": 6.81280364655865,
"density_atomic": 0.04077811986083252,
"volume": 245.22955040909142,
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"formula_full": "Hg4 P2 Cl4",
"formula_reduced": "Hg2PCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 12
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{
"id": "jvasp-79474",
"created_at": "2022-09-04T14:36:40.042581Z",
"updated_at": "2022-09-04T14:36:40.042607Z",
"structure_string": "Ce2 Ga2\n1.0\n0.000000 -0.000000 4.072217\n4.336487 -0.000000 0.000000\n-2.168244 5.554882 -0.000000\nCe Ga\n2 2\ndirect\n0.250000 0.145786 0.291571 Ce\n0.750001 0.854216 0.708428 Ce\n0.250000 0.427020 0.854037 Ga\n0.750001 0.572981 0.145963 Ga\n",
"nsites": 4,
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"elements": [
"Ce",
"Ga"
],
"chemical_system": "Ce-Ga",
"density": 7.104303423893916,
"density_atomic": 0.04077708646650436,
"volume": 98.09430605802922,
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"formula_full": "Ce2 Ga2",
"formula_reduced": "CeGa",
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{
"id": "jvasp-118832",
"created_at": "2022-09-04T14:38:29.450308Z",
"updated_at": "2022-09-04T14:38:29.450338Z",
"structure_string": "Ca1 As1 H1\n1.0\n3.284580 -0.000000 -0.000000\n-0.000000 3.284580 -0.000000\n0.000000 0.000000 6.819438\nCa As H\n1 1 1\ndirect\n0.000000 0.000000 0.672772 Ca\n0.000000 0.000000 0.257373 As\n0.000000 0.000000 0.029539 H\n",
"nsites": 3,
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{
"id": "jvasp-111058",
"created_at": "2022-09-04T14:38:46.469428Z",
"updated_at": "2022-09-04T14:38:46.469450Z",
"structure_string": "Ga1 Sb1\n1.0\n4.199747 -0.021279 -0.598725\n-3.162889 2.763052 -0.598725\n0.008047 0.021279 4.242202\nGa Sb\n1 1\ndirect\n0.750001 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
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"volume": 49.048721601592554,
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"formula_full": "Ga1 Sb1",
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{
"id": "jvasp-29621",
"created_at": "2022-09-04T14:37:57.511923Z",
"updated_at": "2022-09-04T14:37:57.511948Z",
"structure_string": "Ag2 Au2 Cl8\n1.0\n4.070611 -0.000082 0.722898\n2.035774 6.194064 0.357906\n0.025563 -0.153307 11.676579\nAg Au Cl\n2 2 8\ndirect\n0.487431 0.749969 0.250013 Ag\n0.512567 0.250031 0.749988 Ag\n0.000000 0.000000 0.000000 Au\n-0.000001 0.499999 0.500000 Au\n0.859146 0.333037 0.909114 Cl\n0.101276 0.166951 0.590875 Cl\n0.184098 0.631277 0.650947 Cl\n0.466284 0.868744 0.849058 Cl\n0.815901 0.368722 0.349054 Cl\n0.140853 0.666962 0.090886 Cl\n0.898722 0.833048 0.409126 Cl\n0.533715 0.131255 0.150943 Cl\n",
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"volume": 294.2941074847389,
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"spacegroup": 15
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{
"id": "jvasp-110018",
"created_at": "2022-09-04T14:37:54.696239Z",
"updated_at": "2022-09-04T14:37:54.696265Z",
"structure_string": "Pa1 Te2 Pd1\n1.0\n4.483221 0.000000 2.588389\n1.494407 4.226821 2.588389\n0.000000 0.000000 5.176778\nPa Te Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Pa\n0.250000 0.250000 0.250000 Te\n0.750000 0.750000 0.750001 Te\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-39033",
"created_at": "2022-09-04T14:38:00.220088Z",
"updated_at": "2022-09-04T14:38:00.220109Z",
"structure_string": "Sm2 Al1 Zn1\n1.0\n-0.000000 3.660545 3.660545\n3.660545 0.000000 3.660545\n3.660545 3.660545 0.000000\nSm Al Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.250000 0.250000 0.250000 Al\n0.750001 0.750001 0.750001 Zn\n",
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}
]
}