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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4332",
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"results": [
{
"id": "jvasp-105519",
"created_at": "2022-09-04T14:36:55.058630Z",
"updated_at": "2022-09-04T14:36:55.058651Z",
"structure_string": "Er2 Ga3 Ni1\n1.0\n4.292677 -0.005940 3.413725\n2.131584 3.726052 3.413725\n-0.002990 -0.001731 6.986389\nEr Ga Ni\n2 3 1\ndirect\n0.461639 0.461639 0.290091 Er\n0.546736 0.546736 0.703330 Er\n0.148122 0.148122 0.319994 Ga\n0.176160 0.176160 0.874702 Ga\n0.836788 0.836787 0.093605 Ga\n0.830554 0.830554 0.718276 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Ga",
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],
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"density": 8.94023453807457,
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"volume": 111.88478142202752,
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"formula_full": "Er2 Ga3 Ni1",
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"formula_anonymous": "AB2C3",
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"spacegroup": 8
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{
"id": "jvasp-105518",
"created_at": "2022-09-04T14:36:54.096208Z",
"updated_at": "2022-09-04T14:36:54.096238Z",
"structure_string": "Er1 Ga2 Cu3\n1.0\n5.066853 0.031320 0.000000\n-2.432364 4.444950 0.000000\n0.000000 0.000000 4.123997\nEr Ga Cu\n1 2 3\ndirect\n0.500000 0.500000 -0.000000 Er\n0.000000 0.500000 0.500000 Ga\n0.500000 -0.000000 0.500000 Ga\n0.161910 0.838090 -0.000000 Cu\n0.838090 0.161909 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 6,
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"elements": [
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],
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"density": 8.861659012235224,
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"volume": 93.19445488252128,
"volume_molar": 9.353835422566874,
"formula_full": "Er1 Ga2 Cu3",
"formula_reduced": "ErGa2Cu3",
"formula_anonymous": "AB2C3",
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"spacegroup": 65
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{
"id": "jvasp-105517",
"created_at": "2022-09-04T14:38:46.519679Z",
"updated_at": "2022-09-04T14:38:46.519731Z",
"structure_string": "Er1 Mn1 Fe1 O4\n1.0\n3.449801 0.067563 7.779129\n1.701770 3.001611 7.779129\n0.113404 0.067563 8.509002\nEr Mn Fe O\n1 1 1 4\ndirect\n-0.004864 -0.004864 -0.004864 Er\n0.210018 0.210018 0.210019 Mn\n0.785081 0.785079 0.785083 Fe\n0.706892 0.706890 0.706894 O\n0.288015 0.288014 0.288016 O\n0.877579 0.877576 0.877581 O\n0.132079 0.132079 0.132079 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Er",
"Mn",
"Fe",
"O"
],
"chemical_system": "Er-Fe-Mn-O",
"density": 6.79187561976344,
"density_atomic": 0.08370708522555531,
"volume": 83.62494024416154,
"volume_molar": 7.194302302813279,
"formula_full": "Er1 Mn1 Fe1 O4",
"formula_reduced": "ErMnFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.738623820197044,
"spacegroup": 160
},
{
"id": "jvasp-105516",
"created_at": "2022-09-04T14:38:45.613074Z",
"updated_at": "2022-09-04T14:38:45.613100Z",
"structure_string": "Er2 Mn2 Al2\n1.0\n4.627220 0.015635 -2.447817\n-1.637119 4.222951 -2.624831\n0.099222 -0.015635 5.233844\nEr Mn Al\n2 2 2\ndirect\n0.137315 0.887315 0.250000 Er\n0.862684 0.112684 0.749999 Er\n0.500000 -0.000001 -0.000001 Mn\n0.500000 0.500000 0.499999 Mn\n-0.000000 0.500000 0.500000 Al\n0.500000 0.499999 -0.000001 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Al"
],
"chemical_system": "Al-Er-Mn",
"density": 8.02075237131493,
"density_atomic": 0.058153593017519434,
"volume": 103.17505228253792,
"volume_molar": 10.355578129430041,
"formula_full": "Er2 Mn2 Al2",
"formula_reduced": "ErMnAl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0837100137931035,
"spacegroup": 74
},
{
"id": "jvasp-105514",
"created_at": "2022-09-04T14:36:52.171184Z",
"updated_at": "2022-09-04T14:36:52.171213Z",
"structure_string": "Dy1 Al1 Ga1\n1.0\n4.398905 0.000000 0.000000\n-2.199453 3.809563 0.000000\n-0.000000 -0.000000 3.661452\nDy Al Ga\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666666 0.500000 Al\n0.666666 0.333333 0.500000 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Dy",
"Al",
"Ga"
],
"chemical_system": "Al-Dy-Ga",
"density": 7.014853588683195,
"density_atomic": 0.048893166722243635,
"volume": 61.3582674454827,
"volume_molar": 12.316937444880748,
"formula_full": "Dy1 Al1 Ga1",
"formula_reduced": "DyAlGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5860605416666667,
"spacegroup": 187
},
{
"id": "jvasp-105512",
"created_at": "2022-09-04T14:36:52.352173Z",
"updated_at": "2022-09-04T14:36:52.352189Z",
"structure_string": "Fe3 Co3 Si2\n1.0\n3.791325 -0.001343 5.723141\n1.722709 3.377339 5.723141\n-0.002194 -0.001343 6.865018\nFe Co Si\n3 3 2\ndirect\n0.625070 0.625073 0.625070 Fe\n0.749073 0.749075 0.749073 Fe\n0.250721 0.250722 0.250721 Fe\n0.376210 0.376211 0.376210 Co\n0.873836 0.873839 0.873836 Co\n0.125086 0.125087 0.125086 Co\n0.999285 0.999289 0.999285 Si\n0.500714 0.500716 0.500714 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Co",
"Si"
],
"chemical_system": "Co-Fe-Si",
"density": 7.559339533966736,
"density_atomic": 0.09093187899871591,
"volume": 87.97794665733204,
"volume_molar": 6.6226947318278135,
"formula_full": "Fe3 Co3 Si2",
"formula_reduced": "Fe3Co3Si2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.8085058,
"spacegroup": 160
},
{
"id": "jvasp-105510",
"created_at": "2022-09-04T14:38:45.512286Z",
"updated_at": "2022-09-04T14:38:45.512310Z",
"structure_string": "Fe1 Co1 Pt2\n1.0\n2.651076 0.000133 8.350405\n1.293831 2.313915 8.350405\n0.000227 0.000133 8.761134\nFe Co Pt\n1 1 2\ndirect\n0.744239 0.744236 0.744236 Fe\n0.006418 0.006418 0.006418 Co\n0.493048 0.493046 0.493046 Pt\n0.256299 0.256298 0.256298 Pt\n",
"nsites": 4,
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"elements": [
"Fe",
"Co",
"Pt"
],
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"density": 15.603574825771137,
"density_atomic": 0.07443717760262297,
"volume": 53.73658874270711,
"volume_molar": 8.090232534270342,
"formula_full": "Fe1 Co1 Pt2",
"formula_reduced": "FeCoPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0117998000000004,
"spacegroup": 160
},
{
"id": "jvasp-10551",
"created_at": "2022-09-04T14:37:08.500834Z",
"updated_at": "2022-09-04T14:37:08.500857Z",
"structure_string": "Rb6 B2 P4\n1.0\n6.396238 0.009430 1.674200\n-0.202910 6.393025 1.674200\n0.007560 0.007816 9.402135\nRb B P\n6 2 4\ndirect\n0.244515 0.345088 0.983141 Rb\n0.654913 0.755485 0.516858 Rb\n0.755486 0.654912 0.016858 Rb\n0.345087 0.244515 0.483142 Rb\n0.843788 0.156213 0.749999 Rb\n0.156212 0.843787 0.250000 Rb\n0.784104 0.215896 0.250000 B\n0.215896 0.784104 0.750000 B\n0.903610 0.342738 0.354690 P\n0.657262 0.096390 0.145309 P\n0.342738 0.903610 0.854690 P\n0.096390 0.657262 0.645309 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"B",
"P"
],
"chemical_system": "B-P-Rb",
"density": 2.8444592027441655,
"density_atomic": 0.03122426829220214,
"volume": 384.3164517964652,
"volume_molar": 19.286731409183904,
"formula_full": "Rb6 B2 P4",
"formula_reduced": "Rb3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3241022638888889,
"spacegroup": 15
},
{
"id": "jvasp-105509",
"created_at": "2022-09-04T14:36:46.138114Z",
"updated_at": "2022-09-04T14:36:46.138137Z",
"structure_string": "Fe1 Co1 Se2\n1.0\n3.591422 -0.000000 0.000000\n-1.795712 3.110262 0.000000\n0.000000 0.000000 5.245326\nFe Co Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.333333 0.666666 0.246537 Se\n0.666666 0.333333 0.753463 Se\n",
"nsites": 4,
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"elements": [
"Fe",
"Co",
"Se"
],
"chemical_system": "Co-Fe-Se",
"density": 7.728504475382108,
"density_atomic": 0.06826908675523134,
"volume": 58.59167289495765,
"volume_molar": 8.821182538432792,
"formula_full": "Fe1 Co1 Se2",
"formula_reduced": "FeCoSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.342978283333333,
"spacegroup": 164
},
{
"id": "jvasp-105507",
"created_at": "2022-09-04T14:36:51.334787Z",
"updated_at": "2022-09-04T14:36:51.334806Z",
"structure_string": "Ga1 Fe3\n1.0\n2.529400 0.362172 0.000000\n-0.368873 2.528431 0.000000\n0.000000 0.000000 6.809905\nGa Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.499999 0.732332 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 0.499999 0.267668 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 8.860977877929635,
"density_atomic": 0.08996460573819075,
"volume": 44.46192996877622,
"volume_molar": 6.693900018330821,
"formula_full": "Ga1 Fe3",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
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"spacegroup": 123
},
{
"id": "jvasp-105505",
"created_at": "2022-09-04T14:36:50.725379Z",
"updated_at": "2022-09-04T14:36:50.725401Z",
"structure_string": "Ga1 Ni4 Ge3\n1.0\n4.704362 0.005516 0.056676\n0.056064 4.704031 0.056676\n0.005575 0.005516 4.704700\nGa Ni Ge\n1 4 3\ndirect\n0.343636 0.343636 0.343636 Ga\n0.644884 0.644885 0.644885 Ni\n0.136140 0.356755 0.861463 Ni\n0.356754 0.861463 0.136141 Ni\n0.861463 0.136141 0.356755 Ni\n0.840244 0.654389 0.162492 Ge\n0.654389 0.162492 0.840245 Ge\n0.162490 0.840245 0.654389 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-Ge-Ni",
"density": 8.332619410860577,
"density_atomic": 0.07684320446027461,
"volume": 104.10809981428787,
"volume_molar": 7.836920391722143,
"formula_full": "Ga1 Ni4 Ge3",
"formula_reduced": "GaNi4Ge3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8629287218749999,
"spacegroup": 146
},
{
"id": "jvasp-105503",
"created_at": "2022-09-04T14:36:48.661201Z",
"updated_at": "2022-09-04T14:36:48.661221Z",
"structure_string": "Ga2 Ag2 Te1 Se3\n1.0\n6.468860 0.000764 2.990757\n3.611740 5.366701 2.990757\n-0.014681 -0.007817 6.196890\nGa Ag Te Se\n2 2 1 3\ndirect\n0.742942 0.512431 0.613449 Ga\n0.487568 0.257058 0.386552 Ga\n0.271157 0.994674 0.127215 Ag\n0.005326 0.728843 0.872786 Ag\n0.857393 0.142607 0.000001 Te\n0.394702 0.605298 0.500001 Se\n0.120029 0.379112 0.281731 Se\n0.620888 0.879971 0.718271 Se\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.547450204164471,
"density_atomic": 0.037136886406864224,
"volume": 215.41924415400948,
"volume_molar": 16.216062633853152,
"formula_full": "Ga2 Ag2 Te1 Se3",
"formula_reduced": "Ga2Ag2TeSe3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.4853858795833333,
"spacegroup": 5
}
]
}