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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1174",
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"results": [
{
"id": "jvasp-20444",
"created_at": "2022-09-04T14:37:54.206671Z",
"updated_at": "2022-09-04T14:37:54.206691Z",
"structure_string": "Dy8 C12\n1.0\n6.713774 -0.000000 -2.373677\n-3.356887 5.814299 -2.373677\n-0.000000 0.000000 7.121032\nDy C\n8 12\ndirect\n0.101671 0.101671 0.101671 Dy\n-0.000000 0.898329 0.499999 Dy\n0.500000 0.000000 0.898329 Dy\n-0.000000 0.398329 0.500000 Dy\n0.500000 0.000000 0.398329 Dy\n0.398329 0.500000 -0.000000 Dy\n0.601670 0.601671 0.601670 Dy\n0.898329 0.500000 -0.000001 Dy\n0.793943 0.043943 0.749999 C\n0.043943 0.750000 0.793943 C\n0.749999 0.793943 0.043942 C\n0.706056 0.456057 0.249999 C\n0.250000 0.706057 0.456056 C\n0.956056 0.206057 0.749999 C\n0.206056 0.750000 0.956056 C\n0.543943 0.293943 0.249999 C\n0.293943 0.250000 0.543943 C\n0.749999 0.956057 0.206056 C\n0.250000 0.543943 0.293943 C\n0.456056 0.250000 0.706056 C\n",
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"spacegroup": 220
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{
"id": "jvasp-109337",
"created_at": "2022-09-04T14:38:28.477704Z",
"updated_at": "2022-09-04T14:38:28.477725Z",
"structure_string": "Dy4 Cd2 Cu4\n1.0\n7.507446 -0.000000 0.000000\n0.000000 7.507446 0.000000\n-0.000000 0.000000 3.676500\nDy Cd Cu\n4 2 4\ndirect\n0.673826 0.173826 0.500000 Dy\n0.326174 0.826174 0.500000 Dy\n0.173826 0.326174 0.500000 Dy\n0.826174 0.673826 0.500000 Dy\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.120448 0.620448 -0.000000 Cu\n0.879553 0.379553 -0.000000 Cu\n0.620448 0.879553 -0.000000 Cu\n0.379553 0.120448 -0.000000 Cu\n",
"nsites": 10,
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"density": 9.047453151681948,
"density_atomic": 0.04825929748625178,
"volume": 207.21395712088065,
"volume_molar": 12.478716172185477,
"formula_full": "Dy4 Cd2 Cu4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-41215",
"created_at": "2022-09-04T14:37:39.444261Z",
"updated_at": "2022-09-04T14:37:39.444279Z",
"structure_string": "Dy2 Cd1 In1\n1.0\n0.000000 3.725310 3.725310\n3.725310 -0.000000 3.725310\n3.725310 3.725310 -0.000000\nDy Cd In\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
"Dy",
"Cd",
"In"
],
"chemical_system": "Cd-Dy-In",
"density": 8.868518101774804,
"density_atomic": 0.03868501245675424,
"volume": 103.39921706039458,
"volume_molar": 15.56711599028724,
"formula_full": "Dy2 Cd1 In1",
"formula_reduced": "Dy2CdIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.316314125,
"spacegroup": 225
},
{
"id": "jvasp-21847",
"created_at": "2022-09-04T14:37:37.265750Z",
"updated_at": "2022-09-04T14:37:37.265769Z",
"structure_string": "Dy4 Cd2 Pd4\n1.0\n7.692080 -0.000000 -0.000000\n0.000000 7.692080 -0.000000\n-0.000000 0.000000 3.697761\nDy Cd Pd\n4 2 4\ndirect\n0.328671 0.828671 0.500000 Dy\n0.828671 0.671329 0.500000 Dy\n0.171329 0.328671 0.500000 Dy\n0.671329 0.171329 0.500000 Dy\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.370806 0.129194 0.000000 Pd\n0.870806 0.370806 0.000000 Pd\n0.129194 0.629194 0.000000 Pd\n0.629194 0.870806 0.000000 Pd\n",
"nsites": 10,
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"elements": [
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"Cd",
"Pd"
],
"chemical_system": "Cd-Dy-Pd",
"density": 9.870376057679781,
"density_atomic": 0.04570603812529546,
"volume": 218.78947312358758,
"volume_molar": 13.17581003956481,
"formula_full": "Dy4 Cd2 Pd4",
"formula_reduced": "Dy2CdPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7354948300000003,
"spacegroup": 127
},
{
"id": "jvasp-11433",
"created_at": "2022-09-04T14:37:19.062658Z",
"updated_at": "2022-09-04T14:37:19.062684Z",
"structure_string": "Dy4 Cd2 S8\n1.0\n6.890604 0.000000 3.978292\n2.296868 6.496525 3.978292\n-0.000000 -0.000000 7.956585\nDy Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 -0.000000 0.500000 Dy\n0.875000 0.874999 0.874999 Cd\n0.125000 0.125000 0.125000 Cd\n0.742838 0.742838 0.742838 S\n0.257162 0.257162 0.728514 S\n0.257162 0.728514 0.257161 S\n0.728514 0.257162 0.257162 S\n0.742838 0.271485 0.742838 S\n0.271486 0.742838 0.742838 S\n0.257162 0.257162 0.257162 S\n0.742838 0.742838 0.271485 S\n",
"nsites": 14,
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"elements": [
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"S"
],
"chemical_system": "Cd-Dy-S",
"density": 5.274458687003873,
"density_atomic": 0.03930636864863716,
"volume": 356.176377552125,
"volume_molar": 15.321030578612863,
"formula_full": "Dy4 Cd2 S8",
"formula_reduced": "Dy2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.130126107142857,
"spacegroup": 227
},
{
"id": "jvasp-54833",
"created_at": "2022-09-04T14:37:35.699819Z",
"updated_at": "2022-09-04T14:37:35.699846Z",
"structure_string": "Dy4 Cd2 Se8\n1.0\n7.187253 -0.000000 4.149563\n2.395752 6.776208 4.149563\n0.000000 0.000000 8.299126\nDy Cd Se\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Dy\n-0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.875000 Cd\n0.270341 0.743220 0.743220 Se\n0.256780 0.256780 0.729659 Se\n0.256780 0.729659 0.256780 Se\n0.743219 0.743220 0.743220 Se\n0.256780 0.256780 0.256780 Se\n0.743219 0.743220 0.270342 Se\n0.729658 0.256780 0.256780 Se\n0.743219 0.270342 0.743220 Se\n",
"nsites": 14,
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"elements": [
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"Cd",
"Se"
],
"chemical_system": "Cd-Dy-Se",
"density": 6.189232402161567,
"density_atomic": 0.03463745831673016,
"volume": 404.18670076718337,
"volume_molar": 17.386208609571277,
"formula_full": "Dy4 Cd2 Se8",
"formula_reduced": "Dy2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8353094595238094,
"spacegroup": 227
},
{
"id": "jvasp-111616",
"created_at": "2022-09-04T14:38:40.685591Z",
"updated_at": "2022-09-04T14:38:40.685629Z",
"structure_string": "Dy4 Cd2 Te8\n1.0\n7.702464 0.000000 4.447019\n2.567488 7.261953 4.447019\n0.000000 0.000000 8.894040\nDy Cd Te\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Dy\n0.625000 0.125000 0.625000 Dy\n0.625000 0.625000 0.125000 Dy\n0.625000 0.625000 0.625000 Dy\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.857666 0.380778 0.380779 Te\n0.380779 0.857666 0.380779 Te\n0.380778 0.380778 0.857666 Te\n0.380778 0.380778 0.380779 Te\n0.392334 0.869221 0.869222 Te\n0.869221 0.392334 0.869222 Te\n0.869222 0.869221 0.392334 Te\n0.869222 0.869221 0.869222 Te\n",
"nsites": 14,
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"elements": [
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"Cd",
"Te"
],
"chemical_system": "Cd-Dy-Te",
"density": 6.3273032361144494,
"density_atomic": 0.02814140953478789,
"volume": 497.48751862245774,
"volume_molar": 21.399570453482585,
"formula_full": "Dy4 Cd2 Te8",
"formula_reduced": "Dy2CdTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5836262595238093,
"spacegroup": 227
},
{
"id": "jvasp-88942",
"created_at": "2022-09-04T14:36:05.356794Z",
"updated_at": "2022-09-04T14:36:05.356812Z",
"structure_string": "Dy2 C1 N2 O2\n1.0\n3.716178 0.000000 0.000000\n-1.858090 3.218305 0.000000\n-0.000000 0.000000 8.206299\nDy C N O\n2 1 2 2\ndirect\n0.666668 0.333333 0.822534 Dy\n0.333334 0.666668 0.177466 Dy\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.650337 N\n0.000000 0.000000 0.349663 N\n0.333334 0.666668 0.897532 O\n0.666668 0.333333 0.102468 O\n",
"nsites": 7,
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"elements": [
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"C",
"N",
"O"
],
"chemical_system": "C-Dy-N-O",
"density": 6.717282453091282,
"density_atomic": 0.07132257189653621,
"volume": 98.14564749788498,
"volume_molar": 8.443527203051502,
"formula_full": "Dy2 C1 N2 O2",
"formula_reduced": "Dy2C(NO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.570576642857143,
"spacegroup": 164
},
{
"id": "jvasp-103015",
"created_at": "2022-09-04T14:36:44.367614Z",
"updated_at": "2022-09-04T14:36:44.367640Z",
"structure_string": "Dy4 Co4 I2\n1.0\n3.925791 0.000000 -0.000000\n-1.962896 3.399835 0.000000\n0.000000 -0.000000 16.828939\nDy Co I\n4 4 2\ndirect\n0.000000 0.000000 0.103726 Dy\n0.000000 0.000000 0.896274 Dy\n0.000000 0.000000 0.603726 Dy\n0.000000 0.000000 0.396274 Dy\n0.333333 0.666668 0.501659 Co\n0.666667 0.333333 0.498341 Co\n0.666667 0.333333 0.001659 Co\n0.333333 0.666668 0.998342 Co\n0.333333 0.666668 0.250000 I\n0.666667 0.333333 0.750000 I\n",
"nsites": 10,
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"elements": [
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"I"
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"density": 8.424372767271736,
"density_atomic": 0.04452031702424486,
"volume": 224.61654966549773,
"volume_molar": 13.526724791111583,
"formula_full": "Dy4 Co4 I2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.796376215,
"spacegroup": 194
},
{
"id": "jvasp-22221",
"created_at": "2022-09-04T14:37:37.919021Z",
"updated_at": "2022-09-04T14:37:37.919039Z",
"structure_string": "Dy4 Co6 Si10\n1.0\n5.220393 -0.003240 -1.820665\n-2.917150 7.289721 -0.460746\n-0.017904 0.020459 7.865198\nDy Co Si\n4 6 10\ndirect\n0.734766 0.598001 0.869510 Dy\n0.265234 0.401999 0.130490 Dy\n0.234766 0.869510 0.598001 Dy\n0.765234 0.130490 0.402000 Dy\n0.250001 0.004149 0.995851 Co\n0.625386 0.739429 0.463310 Co\n0.125386 0.463310 0.739429 Co\n0.374614 0.260571 0.536690 Co\n0.750000 0.995851 0.004149 Co\n0.874614 0.536690 0.260572 Co\n0.250000 0.768999 0.231001 Si\n0.665438 0.261236 0.062752 Si\n0.165438 0.062752 0.261236 Si\n0.750000 0.783594 0.216406 Si\n0.250000 0.216406 0.783595 Si\n0.750000 0.489688 0.510312 Si\n0.250000 0.510312 0.489688 Si\n0.750000 0.231001 0.768999 Si\n0.834562 0.937248 0.738764 Si\n0.334562 0.738764 0.937248 Si\n",
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"density_atomic": 0.0668543869943175,
"volume": 299.1576304738231,
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"formula_full": "Dy4 Co6 Si10",
"formula_reduced": "Dy2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.32247387,
"spacegroup": 15
},
{
"id": "jvasp-52096",
"created_at": "2022-09-04T14:38:09.466026Z",
"updated_at": "2022-09-04T14:38:09.466055Z",
"structure_string": "Dy4 Co2 Si4\n1.0\n4.030274 0.000000 0.953502\n1.966478 5.207321 0.682420\n0.004840 -0.031743 8.973903\nDy Co Si\n4 2 4\ndirect\n0.186262 0.732914 0.894562 Dy\n0.813737 0.267087 0.105437 Dy\n0.998814 0.330647 0.671722 Dy\n0.001185 0.669353 0.328277 Dy\n0.726765 0.924150 0.622320 Co\n0.273234 0.075850 0.377680 Co\n0.493856 0.138895 0.873391 Si\n0.506143 0.861105 0.126610 Si\n0.346775 0.739388 0.567060 Si\n0.653224 0.260612 0.432940 Si\n",
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"formula_full": "Dy4 Co2 Si4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 12
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{
"id": "jvasp-34156",
"created_at": "2022-09-04T14:37:19.853811Z",
"updated_at": "2022-09-04T14:37:19.853839Z",
"structure_string": "Dy4 Co2 Si4\n1.0\n4.030274 0.000000 0.953502\n1.966478 5.207321 0.682420\n0.004840 -0.031743 8.973903\nDy Co Si\n4 2 4\ndirect\n0.186262 0.732914 0.894562 Dy\n0.813737 0.267087 0.105437 Dy\n0.998814 0.330647 0.671722 Dy\n0.001185 0.669353 0.328277 Dy\n0.726765 0.924150 0.622320 Co\n0.273234 0.075850 0.377680 Co\n0.493856 0.138895 0.873391 Si\n0.506143 0.861105 0.126610 Si\n0.346775 0.739388 0.567060 Si\n0.653224 0.260612 0.432940 Si\n",
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"volume": 188.3384310878729,
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"formula_full": "Dy4 Co2 Si4",
"formula_reduced": "Dy2CoSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.48504422,
"spacegroup": 12
}
]
}