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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1266",
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"results": [
{
"id": "jvasp-54505",
"created_at": "2022-09-04T14:38:36.700423Z",
"updated_at": "2022-09-04T14:38:36.700438Z",
"structure_string": "Ru2 C8 O8\n1.0\n-5.780118 0.000119 -0.004690\n-0.001474 -6.823728 0.010544\n2.891865 3.395906 6.991953\nRu C O\n2 8 8\ndirect\n-0.001243 0.000370 -0.001104 Ru\n0.498755 0.000246 0.998892 Ru\n0.872298 0.995825 0.746249 C\n0.125287 0.004933 0.251546 C\n0.938794 0.683756 0.879396 C\n0.372368 0.753906 0.746363 C\n0.058620 0.316983 0.118400 C\n0.558739 0.802409 0.118602 C\n0.625231 0.246568 0.251423 C\n0.438663 0.198090 0.879187 C\n0.200144 0.007315 0.401095 O\n0.297649 0.607710 0.596944 O\n0.402733 0.315317 0.807694 O\n0.902936 0.495602 0.808045 O\n0.594588 0.685196 0.190111 O\n0.797520 0.993476 0.596713 O\n0.094393 0.505139 0.189760 O\n0.700051 0.392747 0.400852 O\n",
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"elements": [
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"density": 2.5653500518881933,
"density_atomic": 0.06524322231498103,
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},
{
"id": "jvasp-33181",
"created_at": "2022-09-04T14:38:35.616019Z",
"updated_at": "2022-09-04T14:38:35.616059Z",
"structure_string": "Ru2 C8 O8\n1.0\n5.433041 -0.001721 -1.970719\n-1.031881 6.107738 -2.854646\n-0.079632 0.079906 8.294489\nRu C O\n2 8 8\ndirect\n0.000620 0.000633 0.000485 Ru\n0.500625 0.000639 0.000495 Ru\n0.127387 0.005327 0.253200 C\n0.873812 0.995936 0.747766 C\n0.060822 0.317433 0.120006 C\n0.627376 0.247164 0.253093 C\n0.940424 0.683830 0.880955 C\n0.440298 0.198530 0.880776 C\n0.373920 0.754116 0.747895 C\n0.560914 0.802740 0.120200 C\n0.798837 0.993487 0.598187 O\n0.702309 0.393460 0.402562 O\n0.597023 0.685476 0.191698 O\n0.096897 0.505709 0.191396 O\n0.404158 0.315771 0.809256 O\n0.202317 0.007783 0.402783 O\n0.904340 0.495554 0.809561 O\n0.299036 0.607819 0.598426 O\n",
"nsites": 18,
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"elements": [
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"C",
"O"
],
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"density": 2.567412530161229,
"density_atomic": 0.06529567625918581,
"volume": 275.66909527899645,
"volume_molar": 9.222878305288711,
"formula_full": "Ru2 C8 O8",
"formula_reduced": "Ru(CO)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.956012722222222,
"spacegroup": 72
},
{
"id": "jvasp-33121",
"created_at": "2022-09-04T14:38:35.509500Z",
"updated_at": "2022-09-04T14:38:35.509516Z",
"structure_string": "Ru2 C6 Br4 O6\n1.0\n6.250716 -0.046306 1.532111\n1.924410 5.947290 1.532111\n0.055275 0.039898 9.329919\nRu C Br O\n2 6 4 6\ndirect\n0.064221 0.064222 0.785849 Ru\n0.935779 0.935778 0.214151 Ru\n0.091445 0.717289 0.358778 C\n0.717289 0.091445 0.358778 C\n0.908555 0.282711 0.641222 C\n0.755453 0.755452 0.208412 C\n0.282711 0.908555 0.641222 C\n0.244547 0.244547 0.791588 C\n0.760288 0.239713 -0.000000 Br\n0.176912 0.176912 0.226386 Br\n0.823088 0.823088 0.773614 Br\n0.239713 0.760287 -0.000000 Br\n0.584431 0.192684 0.443494 O\n0.645105 0.645104 0.213581 O\n0.354895 0.354895 0.786419 O\n0.807316 0.415568 0.556506 O\n0.415569 0.807316 0.556506 O\n0.192684 0.584431 0.443494 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ru",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-O-Ru",
"density": 3.302034875318025,
"density_atomic": 0.05188853657166129,
"volume": 346.8974303243431,
"volume_molar": 11.605917526086037,
"formula_full": "Ru2 C6 Br4 O6",
"formula_reduced": "RuC3Br2O3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.8202832455555553,
"spacegroup": 12
},
{
"id": "jvasp-37108",
"created_at": "2022-09-04T14:38:06.308050Z",
"updated_at": "2022-09-04T14:38:06.308067Z",
"structure_string": "Ru2 C2\n1.0\n-1.391693 -2.410482 -0.000000\n-2.783384 0.000000 0.000000\n-1.391693 -0.803494 -6.279288\nRu C\n2 2\ndirect\n0.228806 0.228806 0.313580 Ru\n0.771192 0.771192 0.686420 Ru\n0.036943 0.036944 0.889169 C\n0.963055 0.963054 0.110831 C\n",
"nsites": 4,
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"elements": [
"Ru",
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],
"chemical_system": "C-Ru",
"density": 8.914154555248958,
"density_atomic": 0.09494510293384438,
"volume": 42.129608335746504,
"volume_molar": 6.34276078903837,
"formula_full": "Ru2 C2",
"formula_reduced": "RuC",
"formula_anonymous": "AB",
"energy_above_hull": 3.67203025,
"spacegroup": 166
},
{
"id": "jvasp-14103",
"created_at": "2022-09-04T14:37:29.449930Z",
"updated_at": "2022-09-04T14:37:29.449958Z",
"structure_string": "Ru2 Br6\n1.0\n3.225896 -5.587416 0.000000\n3.225896 5.587416 -0.000000\n-0.000000 -0.000000 5.885558\nRu Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.684059 0.000000 0.750000 Br\n0.684060 0.684060 0.250000 Br\n0.315941 0.000000 0.250000 Br\n0.315942 0.315942 0.750000 Br\n0.000000 0.684059 0.750000 Br\n0.000000 0.315941 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ru",
"Br"
],
"chemical_system": "Br-Ru",
"density": 5.334291343195705,
"density_atomic": 0.037706044726159633,
"volume": 212.16757308012672,
"volume_molar": 15.971287372451373,
"formula_full": "Ru2 Br6",
"formula_reduced": "RuBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.98048570375,
"spacegroup": 193
},
{
"id": "jvasp-39453",
"created_at": "2022-09-04T14:38:15.057946Z",
"updated_at": "2022-09-04T14:38:15.057977Z",
"structure_string": "Ru2 Au6\n1.0\n2.917360 -5.053016 -0.000000\n2.917360 5.053016 -0.000000\n0.000000 0.000000 4.657510\nRu Au\n2 6\ndirect\n0.333333 0.666667 0.250000 Ru\n0.666667 0.333333 0.750000 Ru\n0.661261 0.830631 0.750000 Au\n0.169369 0.338739 0.750000 Au\n0.169369 0.830631 0.750000 Au\n0.338739 0.169369 0.250000 Au\n0.830631 0.661261 0.250000 Au\n0.830631 0.169369 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ru",
"Au"
],
"chemical_system": "Au-Ru",
"density": 16.735615382508133,
"density_atomic": 0.058259331617540946,
"volume": 137.31705767786957,
"volume_molar": 10.336783126064615,
"formula_full": "Ru2 Au6",
"formula_reduced": "RuAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5433083025,
"spacegroup": 194
},
{
"id": "jvasp-78465",
"created_at": "2022-09-04T14:37:10.013745Z",
"updated_at": "2022-09-04T14:37:10.013770Z",
"structure_string": "Ru2\n1.0\n-1.362568 -2.360038 0.000000\n-1.362568 2.360038 -0.000000\n0.000000 -0.000000 -4.297832\nRu\n2\ndirect\n0.666668 0.333334 0.250000 Ru\n0.333334 0.666668 0.750000 Ru\n",
"nsites": 2,
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"elements": [
"Ru"
],
"chemical_system": "Ru",
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"density_atomic": 0.07235580568566848,
"volume": 27.641182086873513,
"volume_molar": 8.322954464997142,
"formula_full": "Ru2",
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"formula_anonymous": "A",
"energy_above_hull": 0.0002905000000001,
"spacegroup": 194
},
{
"id": "jvasp-987",
"created_at": "2022-09-04T14:37:43.306852Z",
"updated_at": "2022-09-04T14:37:43.306872Z",
"structure_string": "Ru2\n1.0\n1.362537 -2.359983 0.000000\n1.362537 2.359983 0.000000\n0.000000 0.000000 4.297296\nRu\n2\ndirect\n0.333334 0.666668 0.250000 Ru\n0.666668 0.333334 0.750001 Ru\n",
"nsites": 2,
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"elements": [
"Ru"
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"chemical_system": "Ru",
"density": 12.145598347145347,
"density_atomic": 0.07236816353636996,
"volume": 27.636461978130246,
"volume_molar": 8.32153320703442,
"formula_full": "Ru2",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"energy_above_hull": 5.000000005139782e-07,
"spacegroup": 194
},
{
"id": "jvasp-14664",
"created_at": "2022-09-04T14:36:06.713724Z",
"updated_at": "2022-09-04T14:36:06.713759Z",
"structure_string": "Ru2\n1.0\n1.362536 -2.359982 0.000000\n1.362536 2.359982 0.000000\n0.000000 0.000000 4.297347\nRu\n2\ndirect\n0.333335 0.666668 0.250000 Ru\n0.666668 0.333335 0.750001 Ru\n",
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"elements": [
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"volume": 27.63675797176253,
"volume_molar": 8.321622332800304,
"formula_full": "Ru2",
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"formula_anonymous": "A",
"energy_above_hull": 5.000000005139782e-07,
"spacegroup": 194
},
{
"id": "jvasp-109692",
"created_at": "2022-09-04T14:38:20.515398Z",
"updated_at": "2022-09-04T14:38:20.515408Z",
"structure_string": "Ru1 W1\n1.0\n2.788056 0.000000 0.000000\n-1.394028 2.414527 0.000000\n0.000000 -0.000000 4.463734\nRu W\n1 1\ndirect\n0.333334 0.666667 0.500000 Ru\n0.000000 0.000000 0.000000 W\n",
"nsites": 2,
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"elements": [
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],
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"density": 15.744356860741512,
"density_atomic": 0.06655767310647084,
"volume": 30.049127420675358,
"volume_molar": 9.048003752124139,
"formula_full": "Ru1 W1",
"formula_reduced": "RuW",
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"spacegroup": 187
},
{
"id": "jvasp-123704",
"created_at": "2022-09-04T14:38:54.924354Z",
"updated_at": "2022-09-04T14:38:54.924368Z",
"structure_string": "Ru1 Se2\n1.0\n2.140396 -3.082882 -0.070239\n1.599657 2.770686 -0.000000\n-0.073936 0.042687 5.476361\nRu Se\n1 2\ndirect\n-0.000000 0.333321 0.166667 Ru\n0.620753 0.643718 0.426750 Se\n0.379246 0.022963 0.906583 Se\n",
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"elements": [
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"density": 7.232252113946712,
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"volume": 59.46460467402653,
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"formula_full": "Ru1 Se2",
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"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-39446",
"created_at": "2022-09-04T14:37:59.455940Z",
"updated_at": "2022-09-04T14:37:59.455960Z",
"structure_string": "Ru1 Rh3\n1.0\n3.825964 -0.000000 -0.000000\n0.000000 3.825964 0.000000\n0.000000 0.000000 3.825964\nRu Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ru\n0.000000 0.499999 0.499999 Rh\n0.499999 0.000000 0.499999 Rh\n0.499999 0.499999 0.000000 Rh\n",
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"density": 12.150219019543123,
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"volume": 56.00446305706743,
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"formula_full": "Ru1 Rh3",
"formula_reduced": "RuRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.299139875,
"spacegroup": 221
}
]
}