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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4132",
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"results": [
{
"id": "jvasp-21451",
"created_at": "2022-09-04T14:38:31.132166Z",
"updated_at": "2022-09-04T14:38:31.132192Z",
"structure_string": "Sr2 B4 Ir4\n1.0\n5.433096 0.006193 -1.492458\n-2.842905 4.629953 -1.492458\n-0.007826 -0.014008 6.188154\nSr B Ir\n2 4 4\ndirect\n0.875000 0.124999 0.249999 Sr\n0.125000 0.874999 0.749999 Sr\n0.549397 0.450602 0.249999 B\n0.799397 0.200602 0.749999 B\n0.200603 0.799396 0.249999 B\n0.450603 0.549396 0.749999 B\n0.506350 0.756349 0.512699 Ir\n0.756350 0.506349 0.012699 Ir\n0.493650 0.243649 0.487299 Ir\n0.243650 0.493649 0.987299 Ir\n",
"nsites": 10,
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"elements": [
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"B",
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],
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"density": 10.540606231643231,
"density_atomic": 0.0642901563420391,
"volume": 155.54480761872148,
"volume_molar": 9.367127259670612,
"formula_full": "Sr2 B4 Ir4",
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"spacegroup": 70
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{
"id": "jvasp-36536",
"created_at": "2022-09-04T14:37:16.504245Z",
"updated_at": "2022-09-04T14:37:16.504277Z",
"structure_string": "Zr4 N2\n1.0\n5.425948 -0.000000 0.000000\n0.000000 5.425948 0.000000\n0.000000 0.000000 3.309769\nZr N\n4 2\ndirect\n0.295827 0.295827 0.000000 Zr\n0.704173 0.704173 0.000000 Zr\n0.204173 0.795828 0.500000 Zr\n0.795828 0.204173 0.500000 Zr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 6,
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"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.695647441310887,
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"volume": 97.44261687210785,
"volume_molar": 9.780219247109738,
"formula_full": "Zr4 N2",
"formula_reduced": "Zr2N",
"formula_anonymous": "AB2",
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"spacegroup": 136
},
{
"id": "jvasp-103957",
"created_at": "2022-09-04T14:36:57.620850Z",
"updated_at": "2022-09-04T14:36:57.620881Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729745 0.077944 0.213684\n0.675204 4.112522 0.465287\n0.131566 0.031596 6.480605\nCd H C O\n1 2 3 4\ndirect\n0.267528 0.674722 0.501601 Cd\n0.085709 0.870299 0.026024 H\n0.648329 0.889046 0.952280 H\n0.666477 0.176425 0.192871 C\n0.895225 0.265397 0.797987 C\n0.834432 0.044709 0.993332 C\n0.697855 0.543876 0.756591 O\n0.163540 0.160853 0.672409 O\n0.445990 0.445106 0.193259 O\n0.740119 -0.016354 0.361073 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.600685038982674,
"density_atomic": 0.10111059378394087,
"volume": 98.90160492350184,
"volume_molar": 5.955993862392372,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.6237533750000006,
"spacegroup": 1
},
{
"id": "jvasp-103956",
"created_at": "2022-09-04T14:36:57.677084Z",
"updated_at": "2022-09-04T14:36:57.677100Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729897 0.079818 0.210827\n0.672816 4.112974 0.463634\n0.135189 0.032914 6.479795\nCd H C O\n1 2 3 4\ndirect\n0.500886 0.545945 0.507875 Cd\n0.881882 0.760228 0.958541 H\n0.319199 0.741664 0.032359 H\n0.128709 0.136642 0.804276 C\n0.899896 0.047679 0.199164 C\n0.067894 0.915981 -0.000367 C\n0.679383 0.316313 0.199526 O\n0.973514 0.854930 0.367392 O\n0.931376 0.415091 0.762818 O\n0.397043 0.032081 0.678749 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.6009662741369404,
"density_atomic": 0.10111849112934403,
"volume": 98.89388071671944,
"volume_molar": 5.955528699787342,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.623754375,
"spacegroup": 1
},
{
"id": "jvasp-112161",
"created_at": "2022-09-04T14:38:44.875682Z",
"updated_at": "2022-09-04T14:38:44.875699Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729872 0.081246 0.214557\n0.671894 4.112983 0.465256\n0.130049 0.031588 6.480625\nCd H C O\n1 2 3 4\ndirect\n0.367168 0.723718 0.508949 Cd\n0.748006 0.937973 0.959621 H\n0.185389 0.919244 0.033329 H\n-0.005302 0.314402 0.805349 C\n0.766112 0.225301 0.200238 C\n0.934072 0.093641 0.000680 C\n0.545604 0.493984 0.200651 O\n0.839744 0.032462 0.368421 O\n0.797180 0.592829 0.764000 O\n0.263003 0.209926 0.679741 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"H",
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"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.6005708591301664,
"density_atomic": 0.1011073875072018,
"volume": 98.90474125135226,
"volume_molar": 5.956182736470219,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
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"spacegroup": 1
},
{
"id": "jvasp-112162",
"created_at": "2022-09-04T14:38:43.358788Z",
"updated_at": "2022-09-04T14:38:43.358819Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729637 0.080758 0.214237\n0.671870 4.112751 0.464532\n0.130294 0.032400 6.480819\nCd H C O\n1 2 3 4\ndirect\n0.524596 0.721956 0.502528 Cd\n0.143527 0.507787 0.051789 H\n0.706190 0.526190 0.978072 H\n0.125630 0.220238 0.811226 C\n0.896989 0.131232 0.206102 C\n0.957595 0.351933 0.010746 C\n0.094485 0.852813 0.247508 O\n0.628660 0.235743 0.331678 O\n0.346190 0.951577 0.810848 O\n0.051981 0.413004 0.643022 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.6008636837911974,
"density_atomic": 0.10111561029676293,
"volume": 98.89669825115159,
"volume_molar": 5.955698375676808,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.623754375,
"spacegroup": 1
},
{
"id": "jvasp-70248",
"created_at": "2022-09-04T14:35:59.434177Z",
"updated_at": "2022-09-04T14:35:59.434203Z",
"structure_string": "Be2 Si1 W1\n1.0\n-1.703912 1.703912 3.905219\n1.703912 -1.703912 3.905219\n1.703912 1.703912 -3.905219\nBe Si W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Si\n0.749999 0.250000 0.499999 W\n",
"nsites": 4,
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"elements": [
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"Si",
"W"
],
"chemical_system": "Be-Si-W",
"density": 8.419427209570062,
"density_atomic": 0.08819831403270897,
"volume": 45.35234084538817,
"volume_molar": 6.827954509160624,
"formula_full": "Be2 Si1 W1",
"formula_reduced": "Be2SiW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.623840199999999,
"spacegroup": 119
},
{
"id": "jvasp-97604",
"created_at": "2022-09-04T14:35:44.224820Z",
"updated_at": "2022-09-04T14:35:44.224850Z",
"structure_string": "Ca2 Cu2 H8 C8 O16\n1.0\n6.449989 0.052914 0.000000\n-0.901024 7.249171 0.000000\n0.000000 0.000000 8.337046\nCa Cu H C O\n2 2 8 8 16\ndirect\n0.750000 -0.000000 0.136462 Ca\n0.250000 -0.000000 0.863538 Ca\n0.750000 0.499999 0.405196 Cu\n0.250000 0.500000 0.594805 Cu\n0.722825 0.847186 0.552689 H\n0.777176 0.152813 0.552689 H\n0.907134 0.433103 0.846414 H\n0.222825 0.847186 0.447311 H\n0.277176 0.152813 0.447311 H\n0.092867 0.566896 0.153586 H\n0.407134 0.433103 0.153586 H\n0.592867 0.566896 0.846414 H\n0.504018 0.318125 0.142765 C\n0.629767 0.191055 0.602437 C\n0.870234 0.808944 0.602437 C\n0.370234 0.808944 0.397564 C\n0.495983 0.681874 0.857235 C\n0.004018 0.318125 0.857235 C\n0.129767 0.191055 0.397564 C\n0.995983 0.681874 0.142765 C\n0.037505 0.805906 0.038919 O\n0.913899 0.644711 0.571321 O\n0.158739 0.314812 0.761702 O\n0.086101 0.355288 0.428680 O\n0.413899 0.644712 0.428680 O\n0.537505 0.805906 0.961081 O\n0.586101 0.355288 0.571321 O\n0.658739 0.314812 0.238298 O\n0.841261 0.685187 0.238298 O\n0.341261 0.685188 0.761702 O\n0.462496 0.194093 0.038919 O\n0.016766 0.075845 0.316090 O\n0.983235 0.924154 0.683910 O\n0.516766 0.075845 0.683910 O\n0.962496 0.194093 0.961081 O\n0.483235 0.924154 0.316090 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
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"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-Cu-H-O",
"density": 2.4144974381375124,
"density_atomic": 0.09225722199835147,
"volume": 390.2133537105992,
"volume_molar": 6.527554840213603,
"formula_full": "Ca2 Cu2 H8 C8 O16",
"formula_reduced": "CaCuH4(CO2)4",
"formula_anonymous": "ABC4D4E8",
"energy_above_hull": 3.623857159444444,
"spacegroup": 13
},
{
"id": "jvasp-86040",
"created_at": "2022-09-04T14:35:42.994374Z",
"updated_at": "2022-09-04T14:35:42.994394Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019727 0.000000 0.000000\n0.000000 5.268986 -0.998042\n0.000000 -0.000889 7.567791\nLa C N Cl\n2 2 4 2\ndirect\n0.750001 0.175295 0.737057 La\n0.250000 0.824706 0.262943 La\n0.750001 0.348100 0.358924 C\n0.250000 0.651901 0.641076 C\n0.250000 0.431030 0.659352 N\n0.250000 0.876263 0.618955 N\n0.750001 0.123737 0.381045 N\n0.750001 0.568970 0.340648 N\n0.750001 0.744022 0.956204 Cl\n0.250000 0.255979 0.043797 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-La-N",
"density": 4.4420710071080585,
"density_atomic": 0.06239027939623119,
"volume": 160.28137871432693,
"volume_molar": 9.652370238245446,
"formula_full": "La2 C2 N4 Cl2",
"formula_reduced": "LaCN2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6241911135,
"spacegroup": 11
},
{
"id": "jvasp-86639",
"created_at": "2022-09-04T14:35:48.310630Z",
"updated_at": "2022-09-04T14:35:48.310660Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019722 0.000000 0.000000\n0.000000 5.268761 -0.998451\n0.000000 -0.001570 7.567430\nLa C N Cl\n2 2 4 2\ndirect\n0.750000 0.175585 0.737088 La\n0.250000 0.824415 0.262912 La\n0.750000 0.347951 0.358902 C\n0.250000 0.652049 0.641098 C\n0.250000 0.431163 0.659356 N\n0.250000 0.876401 0.618975 N\n0.750000 0.123599 0.381025 N\n0.750000 0.568837 0.340644 N\n0.750000 0.744036 0.956182 Cl\n0.250000 0.255964 0.043818 Cl\n",
"nsites": 10,
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],
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"density": 4.442553957923655,
"density_atomic": 0.06239706259178829,
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"volume_molar": 9.651320927393366,
"formula_full": "La2 C2 N4 Cl2",
"formula_reduced": "LaCN2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6242011135,
"spacegroup": 11
},
{
"id": "jvasp-19786",
"created_at": "2022-09-04T14:37:50.754491Z",
"updated_at": "2022-09-04T14:37:50.754510Z",
"structure_string": "Mn3 Sb1\n1.0\n3.813832 0.000000 -0.000000\n-0.000000 3.813832 -0.000000\n-0.000000 0.000000 3.813832\nMn Sb\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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],
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"volume": 55.47338598255027,
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"formula_full": "Mn3 Sb1",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-80097",
"created_at": "2022-09-04T14:36:52.070433Z",
"updated_at": "2022-09-04T14:36:52.070458Z",
"structure_string": "Mn3 Sb1\n1.0\n3.813501 0.000000 -0.000000\n0.000000 3.813501 0.000000\n0.000000 -0.000000 3.813501\nMn Sb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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],
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"volume": 55.4589437387332,
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"formula_full": "Mn3 Sb1",
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}
]
}