HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1056",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1054",
"results": [
{
"id": "jvasp-17676",
"created_at": "2022-09-04T14:38:14.250683Z",
"updated_at": "2022-09-04T14:38:14.250701Z",
"structure_string": "U1 Mn2 Ge2\n1.0\n3.843733 -0.000000 -1.335707\n-0.464161 3.815604 -1.335707\n-0.213309 -0.240830 5.584529\nU Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.749999 0.499999 Mn\n0.749999 0.250000 0.499999 Mn\n0.628951 0.628950 0.257901 Ge\n0.371049 0.371048 0.742097 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-U",
"density": 10.310279809391753,
"density_atomic": 0.06294793668562515,
"volume": 79.4307210571654,
"volume_molar": 9.566859657490921,
"formula_full": "U1 Mn2 Ge2",
"formula_reduced": "U(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.400622476551724,
"spacegroup": 139
},
{
"id": "jvasp-18397",
"created_at": "2022-09-04T14:38:14.250345Z",
"updated_at": "2022-09-04T14:38:14.250366Z",
"structure_string": "Cr1 H1\n1.0\n2.314177 0.000000 1.336091\n0.771392 2.181827 1.336091\n0.000000 0.000000 2.672181\nCr H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.499999 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 6.523419598528154,
"density_atomic": 0.14823379905552586,
"volume": 13.4921995708336,
"volume_molar": 4.0625962488785765,
"formula_full": "Cr1 H1",
"formula_reduced": "CrH",
"formula_anonymous": "AB",
"energy_above_hull": 2.4798137,
"spacegroup": 225
},
{
"id": "jvasp-17744",
"created_at": "2022-09-04T14:38:14.250281Z",
"updated_at": "2022-09-04T14:38:14.250304Z",
"structure_string": "Pr1 Mn2 Ge2\n1.0\n3.787870 0.000000 -1.338345\n-0.472870 3.758238 -1.338345\n0.066772 0.075699 6.218488\nPr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750001 0.500000 Mn\n0.750000 0.250000 0.499999 Mn\n0.625466 0.625467 0.250932 Ge\n0.374533 0.374534 0.749067 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Pr",
"density": 7.36547759432835,
"density_atomic": 0.05599596526180353,
"volume": 89.2921476864092,
"volume_molar": 10.75459764260529,
"formula_full": "Pr1 Mn2 Ge2",
"formula_reduced": "Pr(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.422125246551724,
"spacegroup": 139
},
{
"id": "jvasp-16469",
"created_at": "2022-09-04T14:38:14.247765Z",
"updated_at": "2022-09-04T14:38:14.247787Z",
"structure_string": "Zr1 Cd1 Cu2\n1.0\n3.919103 -0.000000 2.262695\n1.306368 3.694965 2.262695\n0.000000 0.000000 4.525391\nZr Cd Cu\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Zr\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750001 0.749998 Cu\n0.250000 0.250000 0.249999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Zr",
"density": 8.380417085352253,
"density_atomic": 0.06103892495374238,
"volume": 65.53195363501818,
"volume_molar": 9.86606622669683,
"formula_full": "Zr1 Cd1 Cu2",
"formula_reduced": "ZrCdCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3462062875,
"spacegroup": 225
},
{
"id": "jvasp-47768",
"created_at": "2022-09-04T14:38:14.246401Z",
"updated_at": "2022-09-04T14:38:14.246429Z",
"structure_string": "Li2 Cr2 O4\n1.0\n5.200325 0.015979 0.000000\n2.096253 4.759134 0.000000\n-3.648290 -2.387557 2.834289\nLi Cr O\n2 2 4\ndirect\n0.250000 0.749999 0.500000 Li\n0.499999 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.749999 0.250000 0.500000 Cr\n0.521084 0.021084 0.500000 O\n0.228916 0.228915 1.000000 O\n0.978915 0.478916 0.500000 O\n0.771083 0.771083 -0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.311219113323937,
"density_atomic": 0.11420250245111696,
"volume": 70.0510043851649,
"volume_molar": 5.273212609835504,
"formula_full": "Li2 Cr2 O4",
"formula_reduced": "LiCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0238511,
"spacegroup": 141
},
{
"id": "jvasp-18366",
"created_at": "2022-09-04T14:38:14.244928Z",
"updated_at": "2022-09-04T14:38:14.244959Z",
"structure_string": "K2 Ru1 Cl6\n1.0\n5.920610 -0.000000 3.418266\n1.973537 5.582005 3.418266\n-0.000000 -0.000000 6.836531\nK Ru Cl\n2 1 6\ndirect\n0.750001 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ru\n0.242340 0.757660 0.757661 Cl\n0.242340 0.757660 0.242340 Cl\n0.757661 0.242339 0.757661 Cl\n0.757661 0.242339 0.242340 Cl\n0.757661 0.757660 0.242340 Cl\n0.242340 0.242339 0.757661 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Ru",
"Cl"
],
"chemical_system": "Cl-K-Ru",
"density": 2.880883124669233,
"density_atomic": 0.039833644807158244,
"volume": 225.9396558755946,
"volume_molar": 15.118226788319909,
"formula_full": "K2 Ru1 Cl6",
"formula_reduced": "K2RuCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2825056561111111,
"spacegroup": 225
},
{
"id": "jvasp-9454",
"created_at": "2022-09-04T14:38:14.235775Z",
"updated_at": "2022-09-04T14:38:14.235803Z",
"structure_string": "Ba2 Ti3 Tl2 O10\n1.0\n3.971343 0.002938 -0.075525\n0.000412 3.978025 0.002816\n-0.393498 -0.250935 16.329087\nBa Ti Tl O\n2 3 2 10\ndirect\n0.820672 0.773015 0.258569 Ba\n0.283489 0.297584 0.738628 Ba\n0.827631 0.805725 0.859513 Ti\n0.303821 0.243992 0.134395 Ti\n0.746453 0.320806 0.995285 Ti\n0.171831 0.278857 0.435945 Tl\n0.771826 0.787983 0.585997 Tl\n0.305143 0.794024 0.139638 O\n0.339073 0.296204 0.248887 O\n0.804989 0.294476 0.114918 O\n0.298566 0.307253 0.007944 O\n0.761018 0.796552 0.726817 O\n0.276087 0.803831 0.846824 O\n0.510516 0.780140 0.471316 O\n0.783716 0.304950 0.868605 O\n0.052264 0.287503 0.584798 O\n0.792423 0.808384 0.974974 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl",
"density": 6.356245746485121,
"density_atomic": 0.06592899973041133,
"volume": 257.85314610435904,
"volume_molar": 9.1342820073488,
"formula_full": "Ba2 Ti3 Tl2 O10",
"formula_reduced": "Ba2Ti3Tl2O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.3407939494117653,
"spacegroup": 1
},
{
"id": "jvasp-18009",
"created_at": "2022-09-04T14:38:14.229182Z",
"updated_at": "2022-09-04T14:38:14.229203Z",
"structure_string": "Pr1 Fe2 Ge2\n1.0\n3.856576 -0.000000 -1.404032\n-0.511154 3.822552 -1.404032\n-0.060975 -0.069671 5.831127\nPr Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750002 0.250000 0.500001 Fe\n0.250002 0.750000 0.500001 Fe\n0.638487 0.638485 0.276969 Ge\n0.361517 0.361515 0.723033 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Pr",
"density": 7.753888389079369,
"density_atomic": 0.05868010848624244,
"volume": 85.20774976365715,
"volume_molar": 10.262661258392002,
"formula_full": "Pr1 Fe2 Ge2",
"formula_reduced": "Pr(FeGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.07080855,
"spacegroup": 139
},
{
"id": "jvasp-63922",
"created_at": "2022-09-04T14:38:14.225867Z",
"updated_at": "2022-09-04T14:38:14.225889Z",
"structure_string": "Ba4 Zr1 Pd1\n1.0\n0.000000 4.926416 4.926416\n4.926416 0.000000 4.926416\n4.926416 4.926416 -0.000000\nBa Zr Pd\n4 1 1\ndirect\n0.126333 0.624556 0.624556 Ba\n0.624556 0.624556 0.624556 Ba\n0.624556 0.126333 0.624556 Ba\n0.624556 0.624556 0.126333 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Pd"
],
"chemical_system": "Ba-Pd-Zr",
"density": 5.187027494840634,
"density_atomic": 0.025091579949486967,
"volume": 239.12404129508306,
"volume_molar": 24.000643929650717,
"formula_full": "Ba4 Zr1 Pd1",
"formula_reduced": "Ba4ZrPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0644890133333331,
"spacegroup": 216
},
{
"id": "jvasp-12557",
"created_at": "2022-09-04T14:38:14.207189Z",
"updated_at": "2022-09-04T14:38:14.207217Z",
"structure_string": "Mg4 H8\n1.0\n4.491378 -0.000000 0.000000\n-0.000000 4.926389 0.000000\n0.000000 0.000000 5.439535\nMg H\n4 8\ndirect\n0.500000 0.750000 0.834657 Mg\n0.000000 0.250000 0.665341 Mg\n0.500000 0.250000 0.165342 Mg\n0.000000 0.750000 0.334658 Mg\n0.728586 0.419255 0.889110 H\n0.228586 0.580745 0.610889 H\n0.771415 0.919255 0.610889 H\n0.271415 0.080745 0.889110 H\n0.728586 0.919255 0.110889 H\n0.228586 0.080745 0.389110 H\n0.771415 0.419255 0.389110 H\n0.271415 0.580745 0.110889 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.4525778226788544,
"density_atomic": 0.09970367384429443,
"volume": 120.35664822883257,
"volume_molar": 6.04003897529862,
"formula_full": "Mg4 H8",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1716863500000003,
"spacegroup": 60
},
{
"id": "jvasp-86783",
"created_at": "2022-09-04T14:38:14.206410Z",
"updated_at": "2022-09-04T14:38:14.206440Z",
"structure_string": "Ti8 Al2 N6\n1.0\n2.999295 0.000000 -0.000000\n-1.499647 2.597466 0.000000\n-0.000000 -0.000000 23.465729\nTi Al N\n8 2 6\ndirect\n0.333332 0.666668 0.446236 Ti\n0.666666 0.333334 0.553764 Ti\n0.000000 0.000000 0.654358 Ti\n0.000000 0.000000 0.154358 Ti\n0.000000 0.000000 0.845642 Ti\n0.666666 0.333334 0.946236 Ti\n0.000000 0.000000 0.345642 Ti\n0.333332 0.666668 0.053764 Ti\n0.666666 0.333334 0.750000 Al\n0.333332 0.666668 0.250000 Al\n0.666666 0.333334 0.105658 N\n0.333332 0.666668 0.605658 N\n0.000000 0.000000 0.500000 N\n0.666666 0.333334 0.394342 N\n0.333332 0.666668 0.894342 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.731873161262223,
"density_atomic": 0.08752192815592104,
"volume": 182.81132896770586,
"volume_molar": 6.880722222288689,
"formula_full": "Ti8 Al2 N6",
"formula_reduced": "Ti4AlN3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.526486985416668,
"spacegroup": 194
},
{
"id": "jvasp-47592",
"created_at": "2022-09-04T14:38:14.203842Z",
"updated_at": "2022-09-04T14:38:14.203862Z",
"structure_string": "Li3 Co3 P3 O12\n1.0\n2.609413 -4.519635 0.000000\n2.609413 4.519635 -0.000000\n0.000000 -0.000000 12.637082\nLi Co P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.000000 Li\n-0.000001 0.500000 0.166667 Co\n0.500000 -0.000001 0.500000 Co\n0.499999 0.499999 0.833333 Co\n-0.000001 0.500000 0.666667 P\n0.500000 -0.000001 0.000000 P\n0.499999 0.499999 0.333333 P\n0.781214 0.181092 0.067971 O\n0.818907 0.218785 0.598695 O\n0.399878 0.181092 0.932029 O\n0.399878 0.218785 0.401305 O\n0.600121 0.781214 0.401305 O\n0.181092 0.399878 0.734638 O\n0.218785 0.818907 0.067971 O\n0.181092 0.781214 0.598695 O\n0.818907 0.600120 0.734638 O\n0.218785 0.399878 0.265362 O\n0.600120 0.818907 0.932029 O\n0.781214 0.600121 0.265362 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.6881681866391087,
"density_atomic": 0.07045248410848148,
"volume": 298.07323710069005,
"volume_molar": 8.547804717186713,
"formula_full": "Li3 Co3 P3 O12",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.436991485714286,
"spacegroup": 180
}
]
}