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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=932",
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"results": [
{
"id": "jvasp-100807",
"created_at": "2022-09-04T14:37:06.108290Z",
"updated_at": "2022-09-04T14:37:06.108311Z",
"structure_string": "Sr2 Cd2 Pb2\n1.0\n5.159113 0.061716 3.931627\n2.618769 4.445481 3.931627\n-0.074977 -0.043448 8.081898\nSr Cd Pb\n2 2 2\ndirect\n0.456041 0.456042 0.797100 Sr\n0.543957 0.543958 0.202902 Sr\n0.848042 0.848043 0.596241 Cd\n0.151957 0.151958 0.403760 Cd\n0.168506 0.168506 0.780525 Pb\n0.831493 0.831494 0.219476 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cd",
"Pb"
],
"chemical_system": "Cd-Pb-Sr",
"density": 7.279973477592637,
"density_atomic": 0.03229692117713049,
"volume": 185.77622204585282,
"volume_molar": 18.64617598368568,
"formula_full": "Sr2 Cd2 Pb2",
"formula_reduced": "SrCdPb",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-22956",
"created_at": "2022-09-04T14:38:28.057861Z",
"updated_at": "2022-09-04T14:38:28.057894Z",
"structure_string": "Sr4 Cd4 P8 O28\n1.0\n0.000000 5.480023 0.010213\n8.585377 0.000000 0.000000\n0.000000 -5.465377 -12.969593\nSr Cd P O\n4 4 8 28\ndirect\n0.511590 0.325577 0.228543 Sr\n0.488409 0.825577 0.271457 Sr\n0.488408 0.674423 0.771457 Sr\n0.511590 0.174423 0.728543 Sr\n0.221726 0.358323 0.905204 Cd\n0.778272 0.858323 0.594796 Cd\n0.778272 0.641678 0.094796 Cd\n0.221727 0.141677 0.405204 Cd\n0.927345 0.029867 0.170244 P\n0.072654 0.970133 0.829756 P\n0.927344 0.470133 0.670244 P\n0.072655 0.529867 0.329756 P\n0.173367 0.785420 0.475666 P\n0.173367 0.714580 0.975666 P\n0.826632 0.214580 0.524334 P\n0.826632 0.285420 0.024334 P\n0.717129 0.052236 0.214977 O\n0.815723 0.105067 0.055001 O\n0.184276 0.605067 0.444999 O\n0.184276 0.894934 0.944999 O\n0.815723 0.394934 0.555001 O\n0.011112 0.360541 0.344001 O\n0.011111 0.139459 0.844001 O\n0.988887 0.639459 0.655999 O\n0.189632 0.112829 0.233558 O\n0.810367 0.612830 0.266442 O\n0.282870 0.552236 0.285023 O\n0.988888 0.860542 0.155999 O\n0.282870 0.947764 0.785023 O\n0.885518 0.671617 0.955794 O\n0.635087 0.296962 0.911494 O\n0.364912 0.796963 0.588506 O\n0.364912 0.703038 0.088506 O\n0.635087 0.203038 0.411494 O\n0.114481 0.328383 0.044206 O\n0.885518 0.828383 0.455794 O\n0.810366 0.887171 0.766442 O\n0.114481 0.171617 0.544206 O\n0.722566 0.380797 0.094058 O\n0.277434 0.880797 0.405942 O\n0.277433 0.619204 0.905942 O\n0.722565 0.119203 0.594058 O\n0.717129 0.447764 0.714977 O\n0.189632 0.387171 0.733558 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-O-P-Sr",
"density": 4.074027755496898,
"density_atomic": 0.07216486197445607,
"volume": 609.7150163686937,
"volume_molar": 8.34497648194995,
"formula_full": "Sr4 Cd4 P8 O28",
"formula_reduced": "SrCdP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.0143146872727278,
"spacegroup": 14
},
{
"id": "jvasp-2754",
"created_at": "2022-09-04T14:36:36.800377Z",
"updated_at": "2022-09-04T14:36:36.800399Z",
"structure_string": "Sr1 Cd2 P2\n1.0\n2.189423 -3.792190 0.000000\n2.189423 3.792190 0.000000\n0.000000 0.000000 7.289222\nSr Cd P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.364088 Cd\n0.666666 0.333332 0.635911 Cd\n0.666666 0.333332 0.250397 P\n0.333332 0.666666 0.749603 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"P"
],
"chemical_system": "Cd-P-Sr",
"density": 5.136199069346184,
"density_atomic": 0.041308465908988394,
"volume": 121.04056371921669,
"volume_molar": 14.57846624773744,
"formula_full": "Sr1 Cd2 P2",
"formula_reduced": "Sr(CdP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2319270500000001,
"spacegroup": 164
},
{
"id": "jvasp-115849",
"created_at": "2022-09-04T14:38:39.718425Z",
"updated_at": "2022-09-04T14:38:39.718439Z",
"structure_string": "Sr2 Cd2 P2\n1.0\n4.523965 -0.000000 -0.000000\n-2.261982 3.917868 0.000000\n0.000000 -0.000000 8.711407\nSr Cd P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666667 0.250000 Cd\n0.666666 0.333334 0.750000 Cd\n0.333334 0.666667 0.750000 P\n0.666666 0.333334 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cd",
"P"
],
"chemical_system": "Cd-P-Sr",
"density": 4.968698963504506,
"density_atomic": 0.038859204853920776,
"volume": 154.40357111153338,
"volume_molar": 15.49733398467206,
"formula_full": "Sr2 Cd2 P2",
"formula_reduced": "SrCdP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-35693",
"created_at": "2022-09-04T14:37:18.998672Z",
"updated_at": "2022-09-04T14:37:18.998697Z",
"structure_string": "Sr1 Cd1 O2\n1.0\n3.528191 0.000000 0.000000\n0.000000 3.528191 -0.000000\n0.000000 0.000000 4.949200\nSr Cd O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"O"
],
"chemical_system": "Cd-O-Sr",
"density": 6.253939610827539,
"density_atomic": 0.06492632352216529,
"volume": 61.60829357039497,
"volume_molar": 9.275345396608037,
"formula_full": "Sr1 Cd1 O2",
"formula_reduced": "SrCdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0699407649999999,
"spacegroup": 123
},
{
"id": "jvasp-40288",
"created_at": "2022-09-04T14:37:47.046421Z",
"updated_at": "2022-09-04T14:37:47.046432Z",
"structure_string": "Sr1 Cd1 Hg2\n1.0\n-0.000000 3.761821 3.761821\n3.761821 -0.000000 3.761821\n3.761821 3.761821 -0.000000\nSr Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Sr",
"density": 9.376734953491317,
"density_atomic": 0.03756951737652898,
"volume": 106.46929423956198,
"volume_molar": 16.029326913212486,
"formula_full": "Sr1 Cd1 Hg2",
"formula_reduced": "SrCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15981",
"created_at": "2022-09-04T14:36:19.644874Z",
"updated_at": "2022-09-04T14:36:19.644890Z",
"structure_string": "Sr1 Cd2 Ge2\n1.0\n4.243787 -0.000000 -1.549123\n-0.565481 4.205943 -1.549123\n0.075175 0.085959 6.793382\nSr Cd Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750001 0.250000 0.500001 Cd\n0.250001 0.750000 0.500000 Cd\n0.606727 0.606726 0.213454 Ge\n0.393275 0.393274 0.786547 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Ge"
],
"chemical_system": "Cd-Ge-Sr",
"density": 6.210386524509222,
"density_atomic": 0.040854297846210474,
"volume": 122.3861445085094,
"volume_molar": 14.740531786078892,
"formula_full": "Sr1 Cd2 Ge2",
"formula_reduced": "Sr(CdGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-16849",
"created_at": "2022-09-04T14:38:30.743157Z",
"updated_at": "2022-09-04T14:38:30.743172Z",
"structure_string": "Sr1 Cd2 Ga2\n1.0\n4.284813 0.000000 -1.575398\n-0.579228 4.245482 -1.575398\n-0.018900 -0.021652 6.563272\nSr Cd Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.499999 Cd\n0.249999 0.750000 0.499999 Cd\n0.609122 0.609123 0.218245 Ga\n0.390877 0.390877 0.781754 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Sr",
"density": 6.300358536524066,
"density_atomic": 0.04198124973281803,
"volume": 119.10078980072255,
"volume_molar": 14.34483441614247,
"formula_full": "Sr1 Cd2 Ga2",
"formula_reduced": "Sr(CdGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-107522",
"created_at": "2022-09-04T14:36:57.959617Z",
"updated_at": "2022-09-04T14:36:57.959632Z",
"structure_string": "Sr2 Cd2 Ga2\n1.0\n4.820755 0.012937 3.940241\n2.378630 4.193086 3.940241\n0.024775 0.014474 7.883950\nSr Cd Ga\n2 2 2\ndirect\n0.542460 0.542462 0.710935 Sr\n0.457537 0.457539 0.289066 Sr\n0.827169 0.827172 0.113731 Cd\n0.172829 0.172829 0.886269 Cd\n0.152460 0.152461 0.302125 Ga\n0.847537 0.847540 0.697876 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cd-Ga-Sr",
"density": 5.649530816396546,
"density_atomic": 0.037836995725055146,
"volume": 158.57495778997279,
"volume_molar": 15.91601194703791,
"formula_full": "Sr2 Cd2 Ga2",
"formula_reduced": "SrCdGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0721222222222216,
"spacegroup": 12
},
{
"id": "jvasp-77125",
"created_at": "2022-09-04T14:37:14.099352Z",
"updated_at": "2022-09-04T14:37:14.099373Z",
"structure_string": "Sr1 Cd1 Au2\n1.0\n-10.079338 0.000000 -5.819309\n-6.544429 -0.515529 -0.303334\n-5.298233 3.009244 -2.461808\nSr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Cd\n0.733030 0.000000 0.000000 Au\n0.266970 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
"chemical_system": "Au-Cd-Sr",
"density": 9.08978188117741,
"density_atomic": 0.036864142114293716,
"volume": 108.50652614126719,
"volume_molar": 16.336039345033267,
"formula_full": "Sr1 Cd1 Au2",
"formula_reduced": "SrCdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-8142",
"created_at": "2022-09-04T14:37:04.709234Z",
"updated_at": "2022-09-04T14:37:04.709262Z",
"structure_string": "Sr1 Cd2 As2\n1.0\n2.252222 -3.900964 0.000000\n2.252222 3.900964 -0.000000\n-0.000000 -0.000000 7.435878\nSr Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666666 0.633102 Cd\n0.666666 0.333333 0.366899 Cd\n0.666666 0.333333 0.752964 As\n0.333333 0.666666 0.247037 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Cd",
"As"
],
"chemical_system": "As-Cd-Sr",
"density": 5.875078813786175,
"density_atomic": 0.0382670174222979,
"volume": 130.66082325732913,
"volume_molar": 15.737157389462354,
"formula_full": "Sr1 Cd2 As2",
"formula_reduced": "Sr(CdAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-106730",
"created_at": "2022-09-04T14:36:49.757417Z",
"updated_at": "2022-09-04T14:36:49.757443Z",
"structure_string": "Sr1 Cd4 S5\n1.0\n3.945863 -0.001770 15.675665\n1.941138 3.435377 15.675665\n-0.003034 -0.001770 16.164662\nSr Cd S\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.597102 0.597103 0.597101 Cd\n0.198989 0.198989 0.198989 Cd\n0.801011 0.801011 0.801009 Cd\n0.402898 0.402898 0.402897 Cd\n0.704607 0.704607 0.704605 S\n0.500000 0.500000 0.499999 S\n0.101942 0.101942 0.101941 S\n0.295394 0.295394 0.295393 S\n0.898059 0.898059 0.898057 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"S"
],
"chemical_system": "Cd-S-Sr",
"density": 5.279851520319992,
"density_atomic": 0.045579860144375865,
"volume": 219.39514444152826,
"volume_molar": 13.21228441887415,
"formula_full": "Sr1 Cd4 S5",
"formula_reduced": "SrCd4S5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0630175310000001,
"spacegroup": 166
}
]
}