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&page=3585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3583",
"results": [
{
"id": "jvasp-42706",
"created_at": "2022-09-04T14:37:11.994442Z",
"updated_at": "2022-09-04T14:37:11.994461Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.196092 -0.025117 0.058785\n-0.141980 5.966928 0.187177\n0.012278 -1.632817 7.668217\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.406577 0.701593 0.018155 Li\n0.593423 0.298406 0.981846 Li\n0.914133 0.211961 0.519237 Li\n0.085866 0.788039 0.480765 Li\n0.083812 0.079228 0.831565 Mn\n0.916188 0.920772 0.168436 Mn\n0.564929 0.561893 0.353818 Fe\n0.435071 0.438107 0.646183 Fe\n0.418361 0.068907 0.335318 B\n0.581639 0.931093 0.664684 B\n0.927053 0.584600 0.829138 B\n0.072947 0.415400 0.170864 B\n0.066935 0.755808 0.936561 O\n0.662660 0.564067 0.849436 O\n0.427825 0.761027 0.564259 O\n0.941894 0.571989 0.291956 O\n0.337340 0.435933 0.150565 O\n0.933065 0.244192 0.063441 O\n0.464856 0.094269 0.785166 O\n0.058106 0.428011 0.708045 O\n0.572175 0.238973 0.435743 O\n0.157177 0.062576 0.363306 O\n0.535144 0.905730 0.214835 O\n0.842822 0.937423 0.636696 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.3621910804710216,
"density_atomic": 0.10028380414820393,
"volume": 239.32079764875812,
"volume_molar": 6.005098042651243,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 3.1273340756704977,
"spacegroup": 2
},
{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Rb",
"density": 1.8827946772816673,
"density_atomic": 0.03342510149449524,
"volume": 239.3410832669428,
"volume_molar": 18.016821163555125,
"formula_full": "Rb1 Ca1 Mg6",
"formula_reduced": "RbCaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-64074",
"created_at": "2022-09-04T14:36:08.220251Z",
"updated_at": "2022-09-04T14:36:08.220285Z",
"structure_string": "Ba4 Zr1 Si1\n1.0\n-0.000000 4.927965 4.927965\n4.927965 0.000000 4.927965\n4.927965 4.927965 0.000000\nBa Zr Si\n4 1 1\ndirect\n0.127391 0.624203 0.624203 Ba\n0.624203 0.624203 0.624203 Ba\n0.624203 0.127391 0.624203 Ba\n0.624203 0.624203 0.127391 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Si"
],
"chemical_system": "Ba-Si-Zr",
"density": 4.638675551229826,
"density_atomic": 0.025067926387625446,
"volume": 239.34967365158076,
"volume_molar": 24.023290426498043,
"formula_full": "Ba4 Zr1 Si1",
"formula_reduced": "Ba4ZrSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.33483783,
"spacegroup": 216
},
{
"id": "jvasp-64127",
"created_at": "2022-09-04T14:36:15.381513Z",
"updated_at": "2022-09-04T14:36:15.381532Z",
"structure_string": "Ba4 Si1 Br1\n1.0\n-0.000000 4.928179 4.928179\n4.928179 0.000000 4.928179\n4.928179 4.928179 -0.000000\nBa Si Br\n4 1 1\ndirect\n0.122629 0.625790 0.625790 Ba\n0.625790 0.625790 0.625790 Ba\n0.625790 0.122629 0.625790 Ba\n0.625790 0.625790 0.122629 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Br"
],
"chemical_system": "Ba-Br-Si",
"density": 4.5595466237238975,
"density_atomic": 0.02506466089951997,
"volume": 239.38085673901577,
"volume_molar": 24.026420242195794,
"formula_full": "Ba4 Si1 Br1",
"formula_reduced": "Ba4SiBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4013077641666666,
"spacegroup": 216
},
{
"id": "jvasp-63923",
"created_at": "2022-09-04T14:37:51.928969Z",
"updated_at": "2022-09-04T14:37:51.928993Z",
"structure_string": "Ba4 Cd1 Pd1\n1.0\n0.000000 4.928214 4.928214\n4.928214 -0.000000 4.928214\n4.928214 4.928214 -0.000000\nBa Cd Pd\n4 1 1\ndirect\n0.123279 0.625574 0.625574 Ba\n0.625574 0.625574 0.625574 Ba\n0.625574 0.123279 0.625574 Ba\n0.625574 0.625574 0.123279 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Pd"
],
"chemical_system": "Ba-Cd-Pd",
"density": 5.3283193127987625,
"density_atomic": 0.025064126878330227,
"volume": 239.38595703437167,
"volume_molar": 24.026932153804974,
"formula_full": "Ba4 Cd1 Pd1",
"formula_reduced": "Ba4CdPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-42335",
"created_at": "2022-09-04T14:36:13.031293Z",
"updated_at": "2022-09-04T14:36:13.031319Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.162624 0.015872 0.105455\n2.549811 4.512348 -0.040086\n2.349455 1.413302 10.313140\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.346944 0.579669 0.848982 Li\n0.078791 0.984784 0.664620 Li\n0.921208 0.015215 0.335380 Li\n0.653054 0.420330 0.151018 Li\n0.759885 0.655070 0.617961 Mn\n0.240114 0.344929 0.382039 Mn\n0.661786 0.914072 0.896542 Fe\n0.338212 0.085927 0.103458 Fe\n0.574018 0.686539 0.365868 B\n0.998757 0.750576 0.122608 B\n0.001242 0.249423 0.877392 B\n0.425980 0.313460 0.634132 B\n0.750776 0.744295 0.094538 O\n0.740508 0.516011 0.861648 O\n0.249222 0.255705 0.905462 O\n0.024945 0.983054 0.858627 O\n0.685596 0.051869 0.657633 O\n0.391127 0.584991 0.652492 O\n0.193753 0.299346 0.594326 O\n0.806245 0.700654 0.405674 O\n0.608872 0.415008 0.347508 O\n0.314402 0.948130 0.342367 O\n0.975053 0.016945 0.141373 O\n0.259491 0.483989 0.138352 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.3612756650560662,
"density_atomic": 0.10025650012591891,
"volume": 239.38597467353017,
"volume_molar": 6.0067334810574735,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 3.126807409003831,
"spacegroup": 2
},
{
"id": "jvasp-64247",
"created_at": "2022-09-04T14:35:50.492109Z",
"updated_at": "2022-09-04T14:35:50.492131Z",
"structure_string": "Ba4 Pd1 Cl1\n1.0\n-0.000000 4.928248 4.928248\n4.928248 -0.000000 4.928248\n4.928248 4.928248 0.000000\nBa Pd Cl\n4 1 1\ndirect\n0.125261 0.624913 0.624913 Ba\n0.624913 0.624913 0.624913 Ba\n0.624913 0.125261 0.624913 Ba\n0.624913 0.624913 0.125261 Ba\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Cl"
],
"chemical_system": "Ba-Cl-Pd",
"density": 4.794388577889077,
"density_atomic": 0.02506360812941498,
"volume": 239.39091167637278,
"volume_molar": 24.027429446330743,
"formula_full": "Ba4 Pd1 Cl1",
"formula_reduced": "Ba4PdCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1689839412499999,
"spacegroup": 216
},
{
"id": "jvasp-116887",
"created_at": "2022-09-04T14:38:34.626685Z",
"updated_at": "2022-09-04T14:38:34.626712Z",
"structure_string": "Ti1 V4 Co1 O12\n1.0\n6.484152 0.030738 1.749744\n0.251766 6.479335 1.749744\n0.010477 0.010126 5.704596\nTi V Co O\n1 4 1 12\ndirect\n0.087750 0.912251 0.499999 Ti\n0.799912 0.609753 0.007267 V\n0.610956 0.797035 0.512206 V\n0.390248 0.200088 -0.007268 V\n0.202966 0.389045 0.487793 V\n0.912594 0.087406 -0.000001 Co\n0.186897 0.027518 0.123395 O\n0.376410 0.336032 0.682973 O\n0.364964 0.914517 0.515800 O\n0.345699 0.382922 0.183861 O\n0.663969 0.623592 0.317026 O\n0.811097 0.967782 0.395504 O\n0.617079 0.654302 0.816137 O\n0.085485 0.635037 0.484198 O\n0.911859 0.372584 0.019425 O\n0.972483 0.813104 0.876604 O\n0.627417 0.088142 0.980574 O\n0.032219 0.188904 0.604495 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"V",
"Co",
"O"
],
"chemical_system": "Co-O-Ti-V",
"density": 3.4859586072151556,
"density_atomic": 0.07518973998702037,
"volume": 239.39436421920396,
"volume_molar": 8.009258658215298,
"formula_full": "Ti1 V4 Co1 O12",
"formula_reduced": "TiV4CoO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.6004660018518515,
"spacegroup": 5
},
{
"id": "jvasp-106376",
"created_at": "2022-09-04T14:38:39.157132Z",
"updated_at": "2022-09-04T14:38:39.157150Z",
"structure_string": "Ca1 Dy2 Te4\n1.0\n4.383841 0.000000 0.000000\n0.000000 7.134737 2.311990\n0.000000 0.021414 7.662128\nCa Dy Te\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.760130 0.247568 Te\n0.000000 0.252076 0.241497 Te\n0.500000 0.239870 0.752432 Te\n0.000000 0.747924 0.758503 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Dy",
"Te"
],
"chemical_system": "Ca-Dy-Te",
"density": 6.07163508957001,
"density_atomic": 0.029235422038894336,
"volume": 239.43557204980016,
"volume_molar": 20.5987816833574,
"formula_full": "Ca1 Dy2 Te4",
"formula_reduced": "Ca(DyTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7652263552380953,
"spacegroup": 10
},
{
"id": "jvasp-112543",
"created_at": "2022-09-04T14:38:40.673776Z",
"updated_at": "2022-09-04T14:38:40.673811Z",
"structure_string": "Ho4 Ni4 B16\n1.0\n6.261097 -0.007734 -2.647591\n-2.753797 5.622988 -2.647591\n0.004831 0.007734 6.797871\nHo Ni B\n4 4 16\ndirect\n0.794804 0.794805 0.000001 Ho\n0.205196 0.205196 0.000000 Ho\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.271278 0.500000 0.771278 Ni\n0.728722 0.500001 0.228722 Ni\n0.500000 0.728722 0.228722 Ni\n0.500000 0.271278 0.771278 Ni\n0.418890 0.418890 0.531542 B\n0.887348 0.887348 0.468458 B\n0.581111 0.112653 0.000000 B\n0.112652 0.581111 0.000000 B\n0.581111 0.581111 0.468458 B\n0.112652 0.112652 0.531542 B\n0.888942 0.724983 0.613925 B\n0.724983 0.111059 0.836042 B\n0.888942 0.275018 0.163959 B\n0.111058 0.724983 0.836041 B\n0.887348 0.418890 0.000001 B\n0.275017 0.888942 0.163959 B\n0.724983 0.888942 0.613925 B\n0.275017 0.111059 0.386076 B\n0.111059 0.275017 0.386076 B\n0.418890 0.887348 0.000000 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"B"
],
"chemical_system": "B-Ho-Ni",
"density": 7.403067951557176,
"density_atomic": 0.100234641961633,
"volume": 239.43817756326726,
"volume_molar": 6.00804336918279,
"formula_full": "Ho4 Ni4 B16",
"formula_reduced": "HoNiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.661001383333333,
"spacegroup": 139
},
{
"id": "jvasp-66175",
"created_at": "2022-09-04T14:36:05.752960Z",
"updated_at": "2022-09-04T14:36:05.752974Z",
"structure_string": "Ba4 Tc1 Pb1\n1.0\n0.000000 4.928653 4.928653\n4.928653 0.000000 4.928653\n4.928653 4.928653 -0.000000\nBa Tc Pb\n4 1 1\ndirect\n0.125150 0.624950 0.624950 Ba\n0.624950 0.624950 0.624950 Ba\n0.624950 0.125150 0.624950 Ba\n0.624950 0.624950 0.125150 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tc",
"Pb"
],
"chemical_system": "Ba-Pb-Tc",
"density": 5.92584798143889,
"density_atomic": 0.025057430015109943,
"volume": 239.44993546353018,
"volume_molar": 24.033353605571577,
"formula_full": "Ba4 Tc1 Pb1",
"formula_reduced": "Ba4TcPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0192293666666663,
"spacegroup": 216
},
{
"id": "jvasp-29437",
"created_at": "2022-09-04T14:37:54.026989Z",
"updated_at": "2022-09-04T14:37:54.027009Z",
"structure_string": "Sm2 Ti3 Bi2 O12\n1.0\n3.792748 0.000385 -0.437102\n-0.050718 3.792407 -0.437131\n-0.002176 -0.002328 16.648242\nSm Ti Bi O\n2 3 2 12\ndirect\n0.065415 0.065411 0.130923 Sm\n0.934584 0.934591 0.869077 Sm\n0.373267 0.373267 0.746432 Ti\n0.500000 0.500001 0.000000 Ti\n0.626731 0.626734 0.253568 Ti\n0.210595 0.210590 0.421103 Bi\n0.789404 0.789412 0.578897 Bi\n0.558715 0.558719 0.117463 O\n0.318633 0.318630 0.637102 O\n0.386745 0.886740 0.773391 O\n0.886741 0.386744 0.773391 O\n0.613255 0.113261 0.226609 O\n0.249997 0.750003 0.500000 O\n0.750001 0.249998 0.500000 O\n0.441284 0.441283 0.882537 O\n0.113257 0.613258 0.226609 O\n0.681365 0.681371 0.362898 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000001 0.000000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sm",
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sm-Ti",
"density": 7.311030212499835,
"density_atomic": 0.07934678574771087,
"volume": 239.45519432144286,
"volume_molar": 7.589646767983588,
"formula_full": "Sm2 Ti3 Bi2 O12",
"formula_reduced": "Sm2Ti3(BiO6)2",
"formula_anonymous": "A2B2C3D12",
"energy_above_hull": 2.8506385973684205,
"spacegroup": 139
}
]
}