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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3473",
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{
"id": "jvasp-104764",
"created_at": "2022-09-04T14:36:58.992738Z",
"updated_at": "2022-09-04T14:36:58.992758Z",
"structure_string": "Al3 Ga1 N4\n1.0\n3.142457 -0.000000 0.000000\n0.000000 5.076982 0.003533\n-0.000000 0.000569 5.441084\nAl Ga N\n3 1 4\ndirect\n0.500000 0.499894 0.832617 Al\n0.500000 0.000500 0.164917 Al\n-0.000000 0.000793 0.668581 Al\n-0.000000 0.499163 0.333865 Ga\n-0.000000 0.109690 0.333747 N\n0.500000 0.123138 0.832829 N\n0.500000 0.626359 0.158220 N\n-0.000000 0.624064 0.675219 N\n",
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"formula_full": "Al3 Ga1 N4",
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{
"id": "jvasp-36201",
"created_at": "2022-09-04T14:37:29.032652Z",
"updated_at": "2022-09-04T14:37:29.032669Z",
"structure_string": "Al1 Ga1 N2\n1.0\n3.166627 0.000000 -0.000000\n0.000000 3.166627 0.000000\n-0.000000 0.000000 4.459294\nAl Ga N\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Al\n0.000000 0.000000 0.000000 Ga\n0.500001 0.000000 0.261881 N\n0.000000 0.500001 0.738118 N\n",
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"elements": [
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"formula_full": "Al1 Ga1 N2",
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{
"id": "jvasp-100595",
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"updated_at": "2022-09-04T14:36:34.455872Z",
"structure_string": "Al1 Ga1 Ir2\n1.0\n3.723797 0.000000 2.149935\n1.241266 3.510830 2.149935\n-0.000000 0.000000 4.299870\nAl Ga Ir\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750000 0.750001 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Ga-Ir",
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"density_atomic": 0.07115556432335933,
"volume": 56.2148587821242,
"volume_molar": 8.463344809736853,
"formula_full": "Al1 Ga1 Ir2",
"formula_reduced": "AlGaIr2",
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"energy_above_hull": 2.46074683125,
"spacegroup": 225
},
{
"id": "jvasp-100143",
"created_at": "2022-09-04T14:36:40.696448Z",
"updated_at": "2022-09-04T14:36:40.696471Z",
"structure_string": "Al1 Ga1 Co2\n1.0\n3.507848 0.000000 2.025257\n1.169282 3.307231 2.025257\n0.000000 0.000000 4.050514\nAl Ga Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
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"elements": [
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"Ga",
"Co"
],
"chemical_system": "Al-Co-Ga",
"density": 7.582362508425937,
"density_atomic": 0.08512253665078746,
"volume": 46.99108082751192,
"volume_molar": 7.074672580195352,
"formula_full": "Al1 Ga1 Co2",
"formula_reduced": "AlGaCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8436742312500003,
"spacegroup": 225
},
{
"id": "jvasp-105555",
"created_at": "2022-09-04T14:36:56.895327Z",
"updated_at": "2022-09-04T14:36:56.895348Z",
"structure_string": "Al1 Ga1 Co2\n1.0\n2.863644 0.000000 0.000000\n0.000000 2.863644 0.000000\n-0.000000 -0.000000 5.701899\nAl Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Ga\n0.499999 0.499999 0.249466 Co\n0.499999 0.499999 0.750534 Co\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Co-Ga",
"density": 7.62013042045651,
"density_atomic": 0.0855465338511948,
"volume": 46.75817733255984,
"volume_molar": 7.039608139442917,
"formula_full": "Al1 Ga1 Co2",
"formula_reduced": "AlGaCo2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-96782",
"created_at": "2022-09-04T14:35:58.348785Z",
"updated_at": "2022-09-04T14:35:58.348803Z",
"structure_string": "Al4 Ga4 Cl16\n1.0\n7.148255 0.187942 0.000000\n-0.269104 9.413469 0.000000\n0.000000 0.000000 9.492050\nAl Ga Cl\n4 4 16\ndirect\n0.250083 0.682970 0.499777 Al\n0.249918 0.817030 0.999777 Al\n0.749918 0.317030 0.500223 Al\n0.750083 0.182970 0.000223 Al\n0.823792 0.750182 0.749878 Ga\n0.676210 0.749818 0.249878 Ga\n0.176209 0.249818 0.250122 Ga\n0.323791 0.250182 0.750122 Ga\n0.669003 0.053301 0.822175 Cl\n0.830998 0.446699 0.322175 Cl\n0.509029 0.184419 0.456331 Cl\n-0.009029 0.315581 -0.043669 Cl\n0.490972 0.815581 0.543669 Cl\n0.009029 0.684419 0.043669 Cl\n0.830691 0.053485 0.178390 Cl\n0.010020 0.815582 0.455900 Cl\n0.169310 0.946515 0.821610 Cl\n0.330691 0.553486 0.321610 Cl\n0.169003 0.553301 0.677825 Cl\n0.489981 0.684418 0.955900 Cl\n0.989981 0.184418 0.544100 Cl\n0.510020 0.315582 0.044100 Cl\n0.669310 0.446514 0.678390 Cl\n0.330998 0.946699 0.177825 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Ga",
"Cl"
],
"chemical_system": "Al-Cl-Ga",
"density": 2.478514919519226,
"density_atomic": 0.03754699564367134,
"volume": 639.1989449106635,
"volume_molar": 16.03894174956459,
"formula_full": "Al4 Ga4 Cl16",
"formula_reduced": "AlGaCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 52
},
{
"id": "jvasp-106381",
"created_at": "2022-09-04T14:37:48.948218Z",
"updated_at": "2022-09-04T14:37:48.948240Z",
"structure_string": "Al1 Ga1 As2\n1.0\n3.878622 -0.000110 5.843662\n1.762747 3.454914 5.843662\n-0.000180 -0.000110 7.013708\nAl Ga As\n1 1 2\ndirect\n0.999621 0.999619 0.999621 Al\n0.500238 0.500237 0.500238 Ga\n0.124685 0.124685 0.124685 As\n0.625458 0.625457 0.625458 As\n",
"nsites": 4,
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"elements": [
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"Ga",
"As"
],
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"density": 4.355704221604801,
"density_atomic": 0.04255673013176865,
"volume": 93.99218378890428,
"volume_molar": 14.150854027914294,
"formula_full": "Al1 Ga1 As2",
"formula_reduced": "AlGaAs2",
"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-41842",
"created_at": "2022-09-04T14:37:34.063553Z",
"updated_at": "2022-09-04T14:37:34.063572Z",
"structure_string": "Al1 Fe2 W1\n1.0\n0.000105 2.925319 2.925319\n2.925319 0.000105 2.925319\n2.925319 2.925319 0.000105\nAl Fe W\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.000005 0.000005 0.000005 Fe\n0.499996 0.499996 0.499996 Fe\n0.750001 0.750001 0.750001 W\n",
"nsites": 4,
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"elements": [
"Al",
"Fe",
"W"
],
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"density": 10.697149030753538,
"density_atomic": 0.0798975906360424,
"volume": 50.064087892477325,
"volume_molar": 7.537324607737755,
"formula_full": "Al1 Fe2 W1",
"formula_reduced": "AlFe2W",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-81518",
"created_at": "2022-09-04T14:37:18.618710Z",
"updated_at": "2022-09-04T14:37:18.618736Z",
"structure_string": "Al2 Fe1 Tc1\n1.0\n-11.026654 2.602747 -2.209968\n-7.533338 1.063367 0.634824\n-6.570920 3.757743 -0.994509\nAl Fe Tc\n2 1 1\ndirect\n0.726971 0.015351 0.015352 Al\n0.273050 0.984627 0.984630 Al\n0.999989 0.000009 0.000012 Fe\n0.499993 0.000006 0.000008 Tc\n",
"nsites": 4,
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"elements": [
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"Fe",
"Tc"
],
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"density": 6.305334004034852,
"density_atomic": 0.07308976520232094,
"volume": 54.72722465214571,
"volume_molar": 8.239376256484087,
"formula_full": "Al2 Fe1 Tc1",
"formula_reduced": "Al2FeTc",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-12985",
"created_at": "2022-09-04T14:36:57.941294Z",
"updated_at": "2022-09-04T14:36:57.941317Z",
"structure_string": "Al4 Fe6 Si6\n1.0\n4.628344 -0.001163 -0.000435\n-1.172537 6.233632 -0.005873\n-2.165146 -1.979078 6.894743\nAl Fe Si\n4 6 6\ndirect\n0.414374 0.675499 0.053410 Al\n0.950099 0.357749 0.728839 Al\n0.049900 0.642251 0.271162 Al\n0.585624 0.324501 0.946590 Al\n0.634508 0.972918 0.767174 Fe\n0.365490 0.027082 0.232827 Fe\n0.863685 0.681846 0.943835 Fe\n0.136313 0.318154 0.056166 Fe\n0.958887 0.707425 0.582662 Fe\n0.041111 0.292575 0.417339 Fe\n0.542235 0.411629 0.347508 Si\n0.274551 0.040052 0.531087 Si\n0.457763 0.588371 0.652492 Si\n0.822919 0.024854 0.114270 Si\n0.177079 0.975146 0.885731 Si\n0.725447 0.959948 0.468914 Si\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.106463638219447,
"density_atomic": 0.08046150767696543,
"volume": 198.85284854761042,
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"formula_full": "Al4 Fe6 Si6",
"formula_reduced": "Al2(FeSi)3",
"formula_anonymous": "A2B3C3",
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"spacegroup": 2
},
{
"id": "jvasp-111687",
"created_at": "2022-09-04T14:38:40.986543Z",
"updated_at": "2022-09-04T14:38:40.986576Z",
"structure_string": "Al12 Fe8 Si4\n1.0\n6.598257 -0.000000 3.809505\n2.199419 6.220896 3.809505\n-0.000000 -0.000000 7.619010\nAl Fe Si\n12 8 4\ndirect\n0.799313 0.799313 0.200688 Al\n0.049313 0.450688 0.450687 Al\n0.049313 0.450688 0.049313 Al\n0.450687 0.049313 0.450687 Al\n0.049313 0.049313 0.450687 Al\n0.450687 0.450688 0.049313 Al\n0.450687 0.049313 0.049313 Al\n0.200687 0.799313 0.799313 Al\n0.200687 0.799313 0.200688 Al\n0.799313 0.200687 0.799313 Al\n0.200687 0.200687 0.799313 Al\n0.799313 0.200687 0.200688 Al\n0.840715 0.840715 0.840715 Fe\n0.840715 0.840715 0.477858 Fe\n0.840715 0.477858 0.840715 Fe\n0.477857 0.840715 0.840715 Fe\n0.409286 0.409286 0.409286 Fe\n0.409286 0.772143 0.409286 Fe\n0.772143 0.409286 0.409286 Fe\n0.409286 0.409286 0.772143 Fe\n0.625000 0.625000 0.125000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.625000 Si\n",
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"elements": [
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"density": 4.687813144270441,
"density_atomic": 0.07674154352123813,
"volume": 312.7380412065601,
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"formula_full": "Al12 Fe8 Si4",
"formula_reduced": "Al3Fe2Si",
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"spacegroup": 227
},
{
"id": "jvasp-40588",
"created_at": "2022-09-04T14:37:58.273794Z",
"updated_at": "2022-09-04T14:37:58.273828Z",
"structure_string": "Al1 Fe2 Si1\n1.0\n-0.000000 2.807299 2.807299\n2.807299 0.000000 2.807299\n2.807299 2.807299 0.000000\nAl Fe Si\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Al\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.749999 0.749999 0.749999 Si\n",
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"spacegroup": 225
}
]
}