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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1299",
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"results": [
{
"id": "jvasp-15194",
"created_at": "2022-09-04T14:35:54.537337Z",
"updated_at": "2022-09-04T14:35:54.537364Z",
"structure_string": "Sr1 P2 Pd2\n1.0\n3.979022 -0.000000 -1.591382\n-0.636462 3.927790 -1.591382\n0.001562 0.001835 5.774083\nSr P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.614678 0.614679 0.229358 P\n0.385321 0.385322 0.770642 P\n0.250000 0.750001 0.500000 Pd\n0.750000 0.250001 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "P-Pd-Sr",
"density": 6.666944551782819,
"density_atomic": 0.05539244618970161,
"volume": 90.26501524912949,
"volume_molar": 10.871772550676084,
"formula_full": "Sr1 P2 Pd2",
"formula_reduced": "Sr(PPd)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "jvasp-93275",
"created_at": "2022-09-04T14:36:09.968026Z",
"updated_at": "2022-09-04T14:36:09.968047Z",
"structure_string": "Sr1 P2 Os2\n1.0\n3.883682 -0.000000 -1.307763\n-0.440367 3.858635 -1.307763\n-0.024899 -0.027902 6.346649\nSr P Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.352974 0.352975 0.705950 P\n0.647024 0.647024 0.294051 P\n0.249999 0.749999 0.500000 Os\n0.749999 0.250000 0.500000 Os\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Os-P-Sr",
"density": 9.281577869162348,
"density_atomic": 0.05272836399182227,
"volume": 94.8256236581787,
"volume_molar": 11.421065066486767,
"formula_full": "Sr1 P2 Os2",
"formula_reduced": "Sr(POs)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "jvasp-21011",
"created_at": "2022-09-04T14:38:15.300250Z",
"updated_at": "2022-09-04T14:38:15.300273Z",
"structure_string": "Sr3 P2 O8\n1.0\n5.030524 -0.001779 5.321623\n2.115981 4.563858 5.321623\n-0.002788 -0.001779 7.322967\nSr P O\n3 2 8\ndirect\n0.206103 0.206104 0.206104 Sr\n0.793895 0.793897 0.793897 Sr\n0.000000 0.000000 0.000000 Sr\n0.406700 0.406700 0.406701 P\n0.593299 0.593300 0.593300 P\n0.277062 0.277063 0.745880 O\n0.277062 0.745880 0.277063 O\n0.745879 0.277063 0.277063 O\n0.254120 0.722937 0.722937 O\n0.722936 0.722937 0.254120 O\n0.670867 0.670868 0.670868 O\n0.329132 0.329132 0.329132 O\n0.722936 0.254120 0.722938 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-P-Sr",
"density": 4.468979417110355,
"density_atomic": 0.07726691601459171,
"volume": 168.24794712325487,
"volume_molar": 7.793944770440599,
"formula_full": "Sr3 P2 O8",
"formula_reduced": "Sr3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9866636869230767,
"spacegroup": 166
},
{
"id": "jvasp-116557",
"created_at": "2022-09-04T14:38:42.112305Z",
"updated_at": "2022-09-04T14:38:42.112326Z",
"structure_string": "Sr4 P4 O16\n1.0\n6.648433 -0.075416 -1.160737\n-0.021545 7.159019 -0.700311\n-0.429025 0.652276 6.918537\nSr P O\n4 4 16\ndirect\n0.405108 0.347105 0.228069 Sr\n0.594891 0.652896 0.771931 Sr\n0.904772 0.153210 0.727915 Sr\n0.095228 0.846791 0.272085 Sr\n0.604975 0.840897 0.301874 P\n0.395025 0.159103 0.698126 P\n0.895105 0.341116 0.198520 P\n0.104894 0.658884 0.801480 P\n0.943925 0.504432 0.742805 O\n0.056075 0.495569 0.257195 O\n0.288611 0.596699 0.966986 O\n0.711389 0.403301 0.033014 O\n0.001889 0.826210 0.878811 O\n-0.001889 0.173791 0.121189 O\n0.556162 0.004345 0.756801 O\n0.497837 0.325600 0.620990 O\n0.306614 0.210765 0.877100 O\n0.693386 0.789236 0.122900 O\n0.806418 0.290448 0.377080 O\n0.502163 0.674400 0.379010 O\n0.210966 0.096625 0.533180 O\n0.789034 0.903376 0.466820 O\n0.443837 0.995655 0.243199 O\n0.193581 0.709552 0.622920 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "O-P-Sr",
"density": 3.6891178423418567,
"density_atomic": 0.07300362960594266,
"volume": 328.75077759210956,
"volume_molar": 8.24909774007974,
"formula_full": "Sr4 P4 O16",
"formula_reduced": "SrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7978626350000009,
"spacegroup": 14
},
{
"id": "jvasp-2778",
"created_at": "2022-09-04T14:37:05.807403Z",
"updated_at": "2022-09-04T14:37:05.807423Z",
"structure_string": "Sr4 P2 O1\n1.0\n4.624861 -0.000000 -1.328562\n-0.381650 4.609087 -1.328562\n-0.010660 -0.011579 8.676979\nSr P O\n4 2 1\ndirect\n0.675096 0.675097 0.350193 Sr\n0.324904 0.324904 0.649808 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.864765 0.864765 0.729531 P\n0.135235 0.135235 0.270470 P\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-P-Sr",
"density": 3.849266259001861,
"density_atomic": 0.03787478181391568,
"volume": 184.81954653605715,
"volume_molar": 15.900133206278664,
"formula_full": "Sr4 P2 O1",
"formula_reduced": "Sr4P2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7476071057142857,
"spacegroup": 139
},
{
"id": "jvasp-36471",
"created_at": "2022-09-04T14:37:30.868898Z",
"updated_at": "2022-09-04T14:37:30.868923Z",
"structure_string": "Sr3 P1 N1\n1.0\n5.053904 -0.000000 -0.000000\n-0.000000 5.053904 0.000000\n-0.000000 -0.000000 5.053904\nSr P N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"P",
"N"
],
"chemical_system": "N-P-Sr",
"density": 3.959987683497199,
"density_atomic": 0.03873370493792931,
"volume": 129.08654124392413,
"volume_molar": 15.547546431849133,
"formula_full": "Sr3 P1 N1",
"formula_reduced": "Sr3PN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1775295359999998,
"spacegroup": 221
},
{
"id": "jvasp-36455",
"created_at": "2022-09-04T14:37:17.083383Z",
"updated_at": "2022-09-04T14:37:17.083408Z",
"structure_string": "Sr3 P1 N1\n1.0\n5.636408 -0.000000 -0.000000\n0.000000 5.636408 -0.000000\n-0.000000 0.000000 5.636408\nSr P N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "N-P-Sr",
"density": 2.854746384957013,
"density_atomic": 0.027923042439842352,
"volume": 179.06358201374525,
"volume_molar": 21.56692191753156,
"formula_full": "Sr3 P1 N1",
"formula_reduced": "Sr3PN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3979055359999997,
"spacegroup": 221
},
{
"id": "jvasp-11370",
"created_at": "2022-09-04T14:36:43.670901Z",
"updated_at": "2022-09-04T14:36:43.670916Z",
"structure_string": "Sr3 P6 Ir6\n1.0\n3.392870 -5.876624 0.000000\n3.392870 5.876624 -0.000000\n0.000000 -0.000000 7.175632\nSr P Ir\n3 6 6\ndirect\n0.000000 0.398379 0.333333 Sr\n0.398379 0.000000 0.666667 Sr\n0.601621 0.601621 0.000000 Sr\n0.876279 0.660081 0.623532 P\n0.216198 0.339919 0.709801 P\n0.123721 0.783801 0.043134 P\n0.783801 0.123721 0.956866 P\n0.339919 0.216198 0.290199 P\n0.660081 0.876279 0.376468 P\n0.869835 0.000000 0.666667 Ir\n0.130164 0.130164 0.000000 Ir\n0.492035 0.000000 0.166667 Ir\n0.000000 0.492035 0.833333 Ir\n0.507965 0.507965 0.500000 Ir\n0.000000 0.869835 0.333333 Ir\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"P",
"Ir"
],
"chemical_system": "Ir-P-Sr",
"density": 9.296673331892881,
"density_atomic": 0.05242108206393868,
"volume": 286.1444176544144,
"volume_molar": 11.48801307202075,
"formula_full": "Sr3 P6 Ir6",
"formula_reduced": "Sr(PIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.935767901999999,
"spacegroup": 154
},
{
"id": "jvasp-21840",
"created_at": "2022-09-04T14:37:33.174923Z",
"updated_at": "2022-09-04T14:37:33.174942Z",
"structure_string": "Sr4 P4 Ir4\n1.0\n6.375608 -0.000000 0.000000\n0.000000 6.375608 0.000000\n-0.000000 0.000000 6.375608\nSr P Ir\n4 4 4\ndirect\n0.619107 0.380893 0.880893 Sr\n0.380893 0.880893 0.619107 Sr\n0.119107 0.119107 0.119107 Sr\n0.880893 0.619107 0.380893 Sr\n0.162847 0.337153 0.662847 P\n0.662847 0.162847 0.337153 P\n0.337153 0.662847 0.162847 P\n0.837153 0.837153 0.837153 P\n0.590171 0.909830 0.090171 Ir\n0.090171 0.590171 0.909830 Ir\n0.409829 0.409829 0.409829 Ir\n0.909830 0.090171 0.590171 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ir-P-Sr",
"density": 7.966000258531744,
"density_atomic": 0.0463037777961364,
"volume": 259.1581199450487,
"volume_molar": 13.00572231171706,
"formula_full": "Sr4 P4 Ir4",
"formula_reduced": "SrPIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.732197636666667,
"spacegroup": 198
},
{
"id": "jvasp-114934",
"created_at": "2022-09-04T14:38:43.776440Z",
"updated_at": "2022-09-04T14:38:43.776468Z",
"structure_string": "Sr1 P1 F1\n1.0\n3.536426 -0.000000 -0.000000\n-0.000000 3.536426 -0.000000\n0.000000 0.000000 6.959581\nSr P F\n1 1 1\ndirect\n0.000000 0.000000 -0.007283 Sr\n0.000000 0.000000 0.587420 P\n0.000000 0.000000 0.338063 F\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "F-P-Sr",
"density": 2.6250075621115148,
"density_atomic": 0.03446743864576444,
"volume": 87.03866947678335,
"volume_molar": 17.471970638410166,
"formula_full": "Sr1 P1 F1",
"formula_reduced": "SrPF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5753692970833335,
"spacegroup": 99
},
{
"id": "jvasp-114935",
"created_at": "2022-09-04T14:38:41.373755Z",
"updated_at": "2022-09-04T14:38:41.373780Z",
"structure_string": "Sr1 P1 F2\n1.0\n3.448187 0.000000 -0.000000\n-0.000000 3.448187 0.000000\n-0.000000 0.000000 6.318151\nSr P F\n1 1 2\ndirect\n0.500001 0.500001 0.582570 Sr\n0.000000 0.000000 0.981822 P\n0.000000 0.000000 0.477139 F\n0.500001 0.500001 0.968469 F\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.461330558330337,
"density_atomic": 0.05324616944517875,
"volume": 75.12277487150178,
"volume_molar": 11.309998113949364,
"formula_full": "Sr1 P1 F2",
"formula_reduced": "SrPF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1326870434374999,
"spacegroup": 99
},
{
"id": "jvasp-114936",
"created_at": "2022-09-04T14:38:42.529870Z",
"updated_at": "2022-09-04T14:38:42.529901Z",
"structure_string": "Sr2 P1 F1\n1.0\n2.150804 1.241767 6.135699\n-2.150804 1.241767 6.135699\n0.000000 -2.483534 6.135699\nSr P F\n2 1 1\ndirect\n0.747239 0.747239 0.747233 Sr\n0.252763 0.252763 0.252761 Sr\n0.500001 0.500001 0.499997 P\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
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"density": 3.803511179011208,
"density_atomic": 0.04068213578038923,
"volume": 98.32325474731331,
"volume_molar": 14.802912001741477,
"formula_full": "Sr2 P1 F1",
"formula_reduced": "Sr2PF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
}
]
}