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{
"id": "jvasp-7794",
"created_at": "2022-09-04T14:36:44.577072Z",
"updated_at": "2022-09-04T14:36:44.577093Z",
"structure_string": "Dy1 N1\n1.0\n3.000990 0.000000 1.732623\n1.000330 2.829361 1.732623\n-0.000000 -0.000000 3.465245\nDy N\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.499999 N\n",
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"volume": 29.422993560102856,
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{
"id": "jvasp-119109",
"created_at": "2022-09-04T14:38:51.490965Z",
"updated_at": "2022-09-04T14:38:51.490990Z",
"structure_string": "Dy4 Mo4 O20\n1.0\n12.444645 0.000000 0.000000\n-0.000000 4.715951 2.417970\n-0.000000 0.025128 6.865394\nDy Mo O\n4 4 20\ndirect\n0.059475 0.657160 0.716779 Dy\n0.940526 0.342840 0.283221 Dy\n0.559475 0.342841 0.783220 Dy\n0.440525 0.657160 0.216779 Dy\n0.363729 0.913270 0.647817 Mo\n0.636272 0.086730 0.352183 Mo\n0.863729 0.086730 0.852183 Mo\n0.136271 0.913270 0.147817 Mo\n0.057372 0.707269 0.041615 O\n0.236134 0.768794 0.737728 O\n0.763867 0.231206 0.262272 O\n0.339563 0.232147 0.415259 O\n0.263866 0.768794 0.237728 O\n0.660437 0.767853 0.584740 O\n0.942628 0.292731 0.958384 O\n0.736134 0.231206 0.762271 O\n0.557372 0.292731 0.458384 O\n0.078195 0.018486 0.343633 O\n0.578196 0.981514 0.156367 O\n0.421805 0.018487 0.843632 O\n0.160437 0.232148 0.915259 O\n0.921805 0.981514 0.656367 O\n0.057488 0.456892 0.486831 O\n0.942513 0.543108 0.513168 O\n0.557488 0.543108 0.013169 O\n0.442512 0.456893 0.986831 O\n0.442628 0.707269 0.541615 O\n0.839563 0.767853 0.084741 O\n",
"nsites": 28,
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"elements": [
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"Mo",
"O"
],
"chemical_system": "Dy-Mo-O",
"density": 5.589660491097884,
"density_atomic": 0.06962360971981334,
"volume": 402.1624289904035,
"volume_molar": 8.64956698487041,
"formula_full": "Dy4 Mo4 O20",
"formula_reduced": "DyMoO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.7902057,
"spacegroup": 14
},
{
"id": "jvasp-119307",
"created_at": "2022-09-04T14:38:30.088755Z",
"updated_at": "2022-09-04T14:38:30.088773Z",
"structure_string": "Dy2 Mo2 Cl2 O8\n1.0\n6.083768 0.015005 1.515417\n1.759971 5.823655 1.515417\n0.005781 0.004303 6.838316\nDy Mo Cl O\n2 2 2 8\ndirect\n0.778381 0.778382 0.108799 Dy\n0.221619 0.221619 0.891202 Dy\n0.362551 0.362551 0.269715 Mo\n0.637449 0.637450 0.730286 Mo\n0.009087 0.009087 0.238698 Cl\n0.990913 0.990914 0.761303 Cl\n0.110314 0.490297 0.153475 O\n0.490296 0.110315 0.153475 O\n0.294507 0.294507 0.536144 O\n0.509703 0.889686 0.846527 O\n0.705493 0.705494 0.463857 O\n0.889685 0.509704 0.846527 O\n0.542244 0.542245 0.201816 O\n0.457756 0.457756 0.798185 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Dy",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Dy-Mo-O",
"density": 4.911087297253415,
"density_atomic": 0.057846395795949995,
"volume": 242.02026431144017,
"volume_molar": 10.410572131827836,
"formula_full": "Dy2 Mo2 Cl2 O8",
"formula_reduced": "DyMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.407655781071429,
"spacegroup": 12
},
{
"id": "jvasp-57345",
"created_at": "2022-09-04T14:37:42.692668Z",
"updated_at": "2022-09-04T14:37:42.692690Z",
"structure_string": "Dy2 Mo2 Cl2 O8\n1.0\n6.091449 0.001456 1.513380\n1.776958 5.826506 1.513380\n0.012407 0.009189 6.848161\nDy Mo Cl O\n2 2 2 8\ndirect\n0.778265 0.778266 0.108968 Dy\n0.221736 0.221736 0.891031 Dy\n0.362498 0.362498 0.269742 Mo\n0.637503 0.637504 0.730258 Mo\n0.009082 0.009081 0.237916 Cl\n0.990919 0.990920 0.762084 Cl\n0.490168 0.110308 0.153655 O\n0.110308 0.490168 0.153655 O\n0.294670 0.294670 0.536175 O\n0.889693 0.509833 0.846345 O\n0.705331 0.705332 0.463825 O\n0.509832 0.889693 0.846345 O\n0.542218 0.542219 0.201451 O\n0.457783 0.457783 0.798549 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Dy",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Dy-Mo-O",
"density": 4.893967039216371,
"density_atomic": 0.05764474081354041,
"volume": 242.8669086271871,
"volume_molar": 10.446990783564136,
"formula_full": "Dy2 Mo2 Cl2 O8",
"formula_reduced": "DyMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4089314953571432,
"spacegroup": 12
},
{
"id": "jvasp-120450",
"created_at": "2022-09-04T14:38:38.002723Z",
"updated_at": "2022-09-04T14:38:38.002742Z",
"structure_string": "Dy4 Mo4 Br4 O16\n1.0\n6.561581 -0.042048 -2.046664\n-1.013001 6.884378 -1.848995\n-0.028287 0.097704 10.877549\nDy Mo Br O\n4 4 4 16\ndirect\n0.647933 0.121983 0.732747 Dy\n0.352067 0.878017 0.267254 Dy\n0.387616 0.657209 0.766996 Dy\n0.612384 0.342790 0.233005 Dy\n0.731682 0.811935 0.132828 Mo\n0.268317 0.188065 0.867173 Mo\n0.776097 0.597527 0.627414 Mo\n0.223902 0.402472 0.372586 Mo\n0.814984 0.289577 0.022273 Br\n0.185016 0.710423 0.977728 Br\n0.742357 0.010584 0.481219 Br\n0.257643 0.989416 0.518782 Br\n0.330467 0.488340 0.549490 O\n0.669533 0.511660 0.450511 O\n0.273362 0.586114 0.299590 O\n0.726638 0.413886 0.700411 O\n0.956983 0.340031 0.331251 O\n0.043017 0.659968 0.668749 O\n0.599350 0.014147 0.176871 O\n0.331509 0.273923 0.042128 O\n0.375884 0.354605 0.797518 O\n0.624115 0.645395 0.202483 O\n-0.000233 0.128546 0.793630 O\n0.000233 0.871453 0.206370 O\n0.655518 0.794536 0.702142 O\n0.668490 0.726076 0.957873 O\n0.400650 0.985853 0.823130 O\n0.344481 0.205464 0.297859 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Dy",
"Mo",
"Br",
"O"
],
"chemical_system": "Br-Dy-Mo-O",
"density": 5.432966311701586,
"density_atomic": 0.05692342407371786,
"volume": 491.88889206206227,
"volume_molar": 10.57937195099352,
"formula_full": "Dy4 Mo4 Br4 O16",
"formula_reduced": "DyMoBrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.389277215,
"spacegroup": 2
},
{
"id": "jvasp-15494",
"created_at": "2022-09-04T14:36:17.571691Z",
"updated_at": "2022-09-04T14:36:17.571729Z",
"structure_string": "Dy1 Mn2 Si2\n1.0\n3.676389 -0.000000 -1.290866\n-0.453254 3.648342 -1.290866\n-0.009383 -0.010621 5.853890\nDy Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250001 0.750000 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.620587 0.620586 0.241172 Si\n0.379415 0.379414 0.758828 Si\n",
"nsites": 5,
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"elements": [
"Dy",
"Mn",
"Si"
],
"chemical_system": "Dy-Mn-Si",
"density": 6.957338215303862,
"density_atomic": 0.06376265585241696,
"volume": 78.41580519438907,
"volume_molar": 9.444620333787002,
"formula_full": "Dy1 Mn2 Si2",
"formula_reduced": "Dy(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3262896365517234,
"spacegroup": 139
},
{
"id": "jvasp-14314",
"created_at": "2022-09-04T14:37:08.630138Z",
"updated_at": "2022-09-04T14:37:08.630168Z",
"structure_string": "Dy4 Mn4 Si4\n1.0\n4.135306 0.000000 0.000000\n-0.000000 6.987560 0.000000\n0.000000 0.000000 7.413325\nDy Mn Si\n4 4 4\ndirect\n0.250000 0.002627 0.812911 Dy\n0.750001 0.997373 0.187088 Dy\n0.250000 0.502627 0.687088 Dy\n0.750001 0.497373 0.312911 Dy\n0.750001 0.859383 0.560885 Mn\n0.250000 0.140617 0.439115 Mn\n0.750001 0.359383 0.939114 Mn\n0.250000 0.640617 0.060885 Mn\n0.250000 0.291828 0.108133 Si\n0.750001 0.708172 0.891867 Si\n0.250000 0.791828 0.391867 Si\n0.750001 0.208172 0.608132 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
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"density": 7.613002865060413,
"density_atomic": 0.05601895517864166,
"volume": 214.21320625728555,
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"formula_full": "Dy4 Mn4 Si4",
"formula_reduced": "DyMnSi",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-55793",
"created_at": "2022-09-04T14:38:00.749919Z",
"updated_at": "2022-09-04T14:38:00.749944Z",
"structure_string": "Dy4 Mn4 O12\n1.0\n5.270462 0.000000 0.000000\n-0.000000 5.661146 0.000000\n0.000000 0.000000 7.559500\nDy Mn O\n4 4 12\ndirect\n0.019318 0.925293 0.750000 Dy\n0.519318 0.574708 0.250000 Dy\n0.480682 0.425293 0.750000 Dy\n0.980682 0.074708 0.250000 Dy\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.608723 0.034809 0.750000 O\n0.108723 0.465191 0.250000 O\n0.695983 0.309024 0.054790 O\n0.195983 0.190976 0.945210 O\n0.804016 0.809024 0.445210 O\n0.195983 0.190976 0.554789 O\n0.304017 0.690977 0.945210 O\n0.804016 0.809024 0.054790 O\n0.891277 0.534809 0.750000 O\n0.695983 0.309024 0.445210 O\n0.304017 0.690977 0.554789 O\n0.391277 0.965192 0.250000 O\n",
"nsites": 20,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Dy-Mn-O",
"density": 7.816695612470933,
"density_atomic": 0.08867146472901974,
"volume": 225.55170438562237,
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"formula_full": "Dy4 Mn4 O12",
"formula_reduced": "DyMnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-17919",
"created_at": "2022-09-04T14:38:11.508017Z",
"updated_at": "2022-09-04T14:38:11.508032Z",
"structure_string": "Dy1 Mn2 Ge2\n1.0\n3.711787 -0.000000 -1.279469\n-0.441038 3.685492 -1.279469\n0.019346 0.021799 6.079878\nDy Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.750000 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.619581 0.619581 0.239163 Ge\n0.380420 0.380419 0.760837 Ge\n",
"nsites": 5,
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"density": 8.31791947110309,
"density_atomic": 0.05996761821746474,
"volume": 83.37833231708741,
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"formula_full": "Dy1 Mn2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-59706",
"created_at": "2022-09-04T14:38:33.854566Z",
"updated_at": "2022-09-04T14:38:33.854589Z",
"structure_string": "Dy4 Mn4 Ge4\n1.0\n4.105466 -0.000000 0.000000\n-0.000000 7.049724 0.000000\n0.000000 0.000000 7.838271\nDy Mn Ge\n4 4 4\ndirect\n0.250000 0.520441 0.183987 Dy\n0.750001 0.479558 0.816013 Dy\n0.250000 0.020442 0.316013 Dy\n0.750001 0.979558 0.683987 Dy\n0.750001 0.366515 0.443750 Mn\n0.250000 0.133484 0.943750 Mn\n0.750001 0.866515 0.056250 Mn\n0.250000 0.633484 0.556250 Mn\n0.250000 0.275643 0.616170 Ge\n0.750001 0.224356 0.116170 Ge\n0.250000 0.775643 0.883830 Ge\n0.750001 0.724356 0.383830 Ge\n",
"nsites": 12,
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],
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"density": 8.49315596982717,
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"volume": 226.85839176706168,
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"formula_full": "Dy4 Mn4 Ge4",
"formula_reduced": "DyMnGe",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-90005",
"created_at": "2022-09-04T14:36:13.304444Z",
"updated_at": "2022-09-04T14:36:13.304468Z",
"structure_string": "Dy3 Mn3 Ga3\n1.0\n0.000000 0.000000 -4.120970\n-3.499741 -6.061729 0.000000\n-3.499779 6.061752 0.000000\nDy Mn Ga\n3 3 3\ndirect\n0.500000 0.582263 -0.000000 Dy\n0.500000 0.417725 0.417735 Dy\n0.500000 -0.000008 0.582265 Dy\n0.000000 0.231000 -0.000000 Mn\n0.000000 0.768967 0.768995 Mn\n0.000000 -0.000029 0.231005 Mn\n0.000000 0.333329 0.666661 Ga\n0.000000 0.666668 0.333339 Ga\n0.500000 -0.000014 0.000000 Ga\n",
"nsites": 9,
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],
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"density": 8.181460256520372,
"density_atomic": 0.05147276014140916,
"volume": 174.84976471583497,
"volume_molar": 11.699665499684885,
"formula_full": "Dy3 Mn3 Ga3",
"formula_reduced": "DyMnGa",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-99881",
"created_at": "2022-09-04T14:36:35.960596Z",
"updated_at": "2022-09-04T14:36:35.960622Z",
"structure_string": "Dy3 Mn3 Ga3\n1.0\n7.072744 -0.000000 -0.000000\n-3.536372 6.125176 -0.000000\n-0.000000 -0.000000 3.931029\nDy Mn Ga\n3 3 3\ndirect\n0.589695 0.000000 0.000000 Dy\n0.000000 0.589695 0.000000 Dy\n0.410305 0.410305 0.000000 Dy\n0.333333 0.666667 0.500000 Mn\n0.666667 0.333333 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.252562 0.000000 0.500000 Ga\n0.000000 0.252562 0.500000 Ga\n0.747438 0.747439 0.500000 Ga\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Dy-Ga-Mn",
"density": 8.400074125041696,
"density_atomic": 0.05284814532512568,
"volume": 170.29925921962516,
"volume_molar": 11.395179003825673,
"formula_full": "Dy3 Mn3 Ga3",
"formula_reduced": "DyMnGa",
"formula_anonymous": "ABC",
"energy_above_hull": 1.478758688793104,
"spacegroup": 189
}
]
}