HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=692",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=690",
"results": [
{
"id": "jvasp-79606",
"created_at": "2022-09-04T14:37:15.228223Z",
"updated_at": "2022-09-04T14:37:15.228249Z",
"structure_string": "V1 Fe1 Co1 Si1\n1.0\n-2.828453 -2.828453 0.000000\n-2.828453 -0.000000 -2.828453\n0.000000 -2.828453 -2.828453\nV Fe Co Si\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 V\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 4,
"elements": [
"V",
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Si-V",
"density": 7.111113598734816,
"density_atomic": 0.08838592188765698,
"volume": 45.25607601948423,
"volume_molar": 6.813461500864864,
"formula_full": "V1 Fe1 Co1 Si1",
"formula_reduced": "VFeCoSi",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.4420873,
"spacegroup": 216
},
{
"id": "jvasp-98207",
"created_at": "2022-09-04T14:35:47.707404Z",
"updated_at": "2022-09-04T14:35:47.707430Z",
"structure_string": "La2 Co2 O6\n1.0\n4.702303 -0.018280 2.620181\n1.531080 4.446098 2.620181\n-0.025734 -0.018280 5.382968\nLa Co O\n2 2 6\ndirect\n0.750001 0.750001 0.750002 La\n0.249999 0.249999 0.249998 La\n0.500001 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.250007 0.805633 0.694361 O\n0.805633 0.694361 0.250007 O\n0.694362 0.250007 0.805633 O\n0.749993 0.194367 0.305639 O\n0.305638 0.749993 0.194368 O\n0.194367 0.305639 0.749993 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Co",
"O"
],
"chemical_system": "Co-La-O",
"density": 7.215919917726459,
"density_atomic": 0.08838236175940002,
"volume": 113.14474744658469,
"volume_molar": 6.813735953779836,
"formula_full": "La2 Co2 O6",
"formula_reduced": "LaCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.14064128,
"spacegroup": 167
},
{
"id": "jvasp-62041",
"created_at": "2022-09-04T14:35:56.342881Z",
"updated_at": "2022-09-04T14:35:56.342911Z",
"structure_string": "Li4 Al4 H16\n1.0\n0.000000 4.837978 0.034786\n7.832046 0.000000 0.000000\n0.000000 -2.935720 -7.187804\nLi Al H\n4 4 16\ndirect\n0.579757 0.536967 0.829382 Li\n0.420242 0.036967 0.670617 Li\n0.420242 0.463033 0.170617 Li\n0.579757 0.963034 0.329382 Li\n0.145359 0.799339 0.931983 Al\n0.854641 0.299339 0.568016 Al\n0.854641 0.200662 0.068016 Al\n0.145359 0.700662 0.431983 Al\n0.197648 0.234927 0.626189 H\n0.802351 0.734927 0.873810 H\n0.248470 0.578750 0.615659 H\n0.751529 0.078750 0.884340 H\n0.751529 0.421250 0.384340 H\n0.248471 0.921250 0.115659 H\n0.366666 0.868995 0.480633 H\n0.177071 0.597892 0.258177 H\n0.633334 0.131006 0.519366 H\n0.366665 0.631006 0.980633 H\n0.197648 0.265074 0.126189 H\n0.822928 0.097891 0.241822 H\n0.822928 0.402109 0.741821 H\n0.177071 0.902109 0.758177 H\n0.633334 0.368994 0.019366 H\n0.802351 0.765074 0.373810 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Al",
"H"
],
"chemical_system": "Al-H-Li",
"density": 0.9283505121978224,
"density_atomic": 0.08837983048916724,
"volume": 271.5551712100386,
"volume_molar": 6.8139311047198,
"formula_full": "Li4 Al4 H16",
"formula_reduced": "LiAlH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3012488000000006,
"spacegroup": 14
},
{
"id": "jvasp-119390",
"created_at": "2022-09-04T14:38:49.496547Z",
"updated_at": "2022-09-04T14:38:49.496579Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.088421 0.005991 0.088686\n-2.510973 4.798487 -0.334264\n-0.010127 -0.093335 12.509778\nLi V O F\n3 6 3 15\ndirect\n0.598209 0.224064 0.107667 Li\n0.595524 0.200357 0.586774 Li\n0.291972 0.565583 0.922928 Li\n0.331665 0.640120 0.167957 V\n0.020617 0.022457 0.003154 V\n0.319120 0.659038 0.674698 V\n0.016070 0.005082 0.494187 V\n0.648117 0.322376 0.344035 V\n0.697069 0.353947 0.829499 V\n0.390153 0.189923 0.449362 O\n0.076391 0.538387 0.786753 O\n0.275497 0.335950 0.082767 O\n0.235243 0.799928 0.032635 F\n0.455536 0.545207 0.296824 F\n0.020837 0.337741 0.580169 F\n0.388395 0.012685 0.234373 F\n0.858837 0.107460 0.371237 F\n0.789950 0.233748 0.968557 F\n0.550559 0.447105 0.696174 F\n0.900216 0.460437 0.207420 F\n0.627839 0.996567 0.754030 F\n0.951537 0.647612 0.423089 F\n0.702906 0.686835 0.915801 F\n0.592373 0.820184 0.549029 F\n0.263064 0.171077 0.873372 F\n0.156238 0.906112 0.626544 F\n0.748497 0.876619 0.124857 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5843794808284306,
"density_atomic": 0.08837903343611561,
"volume": 305.5023227824372,
"volume_molar": 6.813992556677007,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1312614791666666,
"spacegroup": 1
},
{
"id": "jvasp-106310",
"created_at": "2022-09-04T14:38:17.400949Z",
"updated_at": "2022-09-04T14:38:17.400979Z",
"structure_string": "Zr1 Ti1 C1 N1\n1.0\n3.041839 -0.000578 4.567602\n1.381309 2.710123 4.567602\n-0.000943 -0.000578 5.487783\nZr Ti C N\n1 1 1 1\ndirect\n0.250187 0.250186 0.250187 Zr\n0.748782 0.748777 0.748779 Ti\n0.005499 0.005499 0.005499 C\n0.495536 0.495533 0.495534 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"C",
"N"
],
"chemical_system": "C-N-Ti-Zr",
"density": 6.057590696754429,
"density_atomic": 0.08837748740809855,
"volume": 45.26039512222495,
"volume_molar": 6.814111756981401,
"formula_full": "Zr1 Ti1 C1 N1",
"formula_reduced": "ZrTiCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.470169020833334,
"spacegroup": 160
},
{
"id": "jvasp-104783",
"created_at": "2022-09-04T14:36:47.069989Z",
"updated_at": "2022-09-04T14:36:47.070016Z",
"structure_string": "La2 Co2 O6\n1.0\n4.708347 -0.007017 2.607851\n1.530872 4.455491 2.603370\n-0.011995 -0.001672 5.384297\nLa Co O\n2 2 6\ndirect\n0.750005 0.749942 0.250045 La\n0.249997 0.250058 0.749955 La\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.249897 0.694577 0.305425 O\n0.750105 0.305423 0.694574 O\n0.805767 0.250574 0.194232 O\n0.194234 0.749427 0.805768 O\n0.694100 0.805893 0.749583 O\n0.305901 0.194106 0.250417 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Co",
"O"
],
"chemical_system": "Co-La-O",
"density": 7.214754725823061,
"density_atomic": 0.08836809020241224,
"volume": 113.163020464677,
"volume_molar": 6.814836380650455,
"formula_full": "La2 Co2 O6",
"formula_reduced": "LaCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.14065128,
"spacegroup": 167
},
{
"id": "jvasp-111764",
"created_at": "2022-09-04T14:38:38.624121Z",
"updated_at": "2022-09-04T14:38:38.624147Z",
"structure_string": "V2 P2 O10\n1.0\n4.779935 0.223845 1.693879\n-0.714042 4.731599 1.693879\n0.116783 0.142333 7.053580\nV P O\n2 2 10\ndirect\n-0.000000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.616790 0.383211 0.250000 P\n0.383211 0.616789 0.750000 P\n0.750883 0.263767 0.067119 O\n0.263767 0.750882 0.567119 O\n0.705414 0.687340 0.655804 O\n0.687341 0.705414 0.155804 O\n0.249118 0.736233 0.932881 O\n0.736234 0.249119 0.432881 O\n0.294587 0.312660 0.344196 O\n0.312660 0.294587 0.844197 O\n0.938386 0.061614 0.750000 O\n0.061614 0.938386 0.250000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.393858783521452,
"density_atomic": 0.08836147767915263,
"volume": 158.44008461283417,
"volume_molar": 6.8153463683199815,
"formula_full": "V2 P2 O10",
"formula_reduced": "VPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.8330510285714285,
"spacegroup": 15
},
{
"id": "jvasp-57640",
"created_at": "2022-09-04T14:37:54.064780Z",
"updated_at": "2022-09-04T14:37:54.064808Z",
"structure_string": "Mn10 Si6\n1.0\n3.370552 -5.837967 -0.000000\n3.370552 5.837967 0.000000\n-0.000000 0.000000 4.601316\nMn Si\n10 6\ndirect\n0.235602 0.235602 0.750001 Mn\n0.764397 0.764397 0.250000 Mn\n0.235602 -0.000000 0.250000 Mn\n-0.000000 0.764398 0.750001 Mn\n0.764398 -0.000000 0.750001 Mn\n-0.000000 0.235602 0.250000 Mn\n0.333333 0.666667 0.500000 Mn\n0.666667 0.333333 0.000000 Mn\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.000000 Mn\n-0.000000 0.392919 0.750001 Si\n0.607081 -0.000000 0.250000 Si\n0.392919 0.392919 0.250000 Si\n0.607080 0.607080 0.750001 Si\n0.392919 -0.000000 0.750001 Si\n-0.000000 0.607081 0.250000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"Si"
],
"chemical_system": "Mn-Si",
"density": 6.583159315316855,
"density_atomic": 0.08835787440276814,
"volume": 181.08176671460015,
"volume_molar": 6.81562430140503,
"formula_full": "Mn10 Si6",
"formula_reduced": "Mn5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 4.424529000862068,
"spacegroup": 193
},
{
"id": "jvasp-80112",
"created_at": "2022-09-04T14:37:16.450813Z",
"updated_at": "2022-09-04T14:37:16.450832Z",
"structure_string": "Al1 Cr1 Fe2\n1.0\n-2.828826 -2.828826 -0.000000\n-2.828826 0.000000 -2.828826\n0.000000 -2.828826 -2.828826\nAl Cr Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 Cr\n0.250000 0.250000 0.250000 Fe\n0.750001 0.750001 0.750001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Fe"
],
"chemical_system": "Al-Cr-Fe",
"density": 6.993223120476529,
"density_atomic": 0.08835096363783225,
"volume": 45.273982708290276,
"volume_molar": 6.816157415878251,
"formula_full": "Al1 Cr1 Fe2",
"formula_reduced": "AlCrFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2813778,
"spacegroup": 225
},
{
"id": "jvasp-17417",
"created_at": "2022-09-04T14:38:30.938221Z",
"updated_at": "2022-09-04T14:38:30.938248Z",
"structure_string": "Al1 Cr1 Fe2\n1.0\n3.464621 -0.000000 2.000300\n1.154874 3.266476 2.000300\n-0.000000 -0.000000 4.000599\nAl Cr Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.500001 0.500000 Cr\n0.250000 0.250000 0.250000 Fe\n0.749999 0.750001 0.750000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Fe"
],
"chemical_system": "Al-Cr-Fe",
"density": 6.993037518109487,
"density_atomic": 0.08834861877514175,
"volume": 45.27518432609002,
"volume_molar": 6.816338323666496,
"formula_full": "Al1 Cr1 Fe2",
"formula_reduced": "AlCrFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2813728,
"spacegroup": 225
},
{
"id": "jvasp-9720",
"created_at": "2022-09-04T14:37:17.774106Z",
"updated_at": "2022-09-04T14:37:17.774127Z",
"structure_string": "Al10 C6 N2\n1.0\n1.673104 -2.897900 0.000000\n1.673104 2.897900 -0.000000\n0.000000 -0.000000 21.012059\nAl C N\n10 6 2\ndirect\n0.333332 0.666666 0.248759 Al\n0.000000 0.000000 0.152501 Al\n0.333332 0.666666 0.046519 Al\n0.666666 0.333332 0.546519 Al\n0.333332 0.666666 0.450992 Al\n0.000000 0.000000 0.652501 Al\n0.000000 0.000000 0.345008 Al\n0.000000 0.000000 0.845008 Al\n0.666666 0.333332 0.748759 Al\n0.666666 0.333332 0.950992 Al\n0.333332 0.666666 0.138577 C\n0.666666 0.333332 0.638577 C\n0.666666 0.333332 0.858933 C\n0.333332 0.666666 0.358933 C\n0.000000 0.000000 0.498756 C\n0.000000 0.000000 0.998756 C\n0.000000 0.000000 0.248756 N\n0.000000 0.000000 0.748756 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"C",
"N"
],
"chemical_system": "Al-C-N",
"density": 3.014534468693751,
"density_atomic": 0.08834206881855976,
"volume": 203.75343526275202,
"volume_molar": 6.816843708254668,
"formula_full": "Al10 C6 N2",
"formula_reduced": "Al5C3N",
"formula_anonymous": "AB3C5",
"energy_above_hull": 4.110160805555556,
"spacegroup": 194
},
{
"id": "jvasp-35053",
"created_at": "2022-09-04T14:37:34.511600Z",
"updated_at": "2022-09-04T14:37:34.511614Z",
"structure_string": "Re2 N4\n1.0\n0.000000 2.923803 0.018250\n4.809242 0.000000 0.000000\n0.000000 -2.842355 -4.848076\nRe N\n2 4\ndirect\n0.120834 0.750549 0.990415 Re\n0.120834 0.249450 0.490414 Re\n0.916512 0.958565 0.204186 N\n0.916511 0.041434 0.704187 N\n0.492652 0.455342 0.294399 N\n0.492652 0.544658 0.794400 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 10.474612942099805,
"density_atomic": 0.0883383565229666,
"volume": 67.92066590507707,
"volume_molar": 6.817130176555116,
"formula_full": "Re2 N4",
"formula_reduced": "ReN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.131794833333332,
"spacegroup": 102
}
]
}