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=894",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=892",
"results": [
{
"id": "jvasp-21618",
"created_at": "2022-09-04T14:37:58.812730Z",
"updated_at": "2022-09-04T14:37:58.812755Z",
"structure_string": "Sc1 F3\n1.0\n4.051229 -0.000000 0.000000\n0.000000 4.051229 0.000000\n-0.000000 -0.000000 4.051229\nSc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"F"
],
"chemical_system": "F-Sc",
"density": 2.5461308963799296,
"density_atomic": 0.060158862074485404,
"volume": 66.49061937121449,
"volume_molar": 10.010396726825908,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0020299999999999,
"spacegroup": 221
},
{
"id": "jvasp-12019",
"created_at": "2022-09-04T14:36:03.160566Z",
"updated_at": "2022-09-04T14:36:03.160593Z",
"structure_string": "Co1 O2\n1.0\n2.795650 0.000735 0.357348\n1.374542 2.434398 0.357348\n0.053104 0.031010 9.780457\nCo O\n1 2\ndirect\n0.999665 0.999670 0.006667 Co\n0.362534 0.362537 0.910092 O\n0.636797 0.636800 0.103241 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 2.270916042696434,
"density_atomic": 0.04511869359509649,
"volume": 66.49128689147243,
"volume_molar": 13.347329632466327,
"formula_full": "Co1 O2",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0885759666666672,
"spacegroup": 166
},
{
"id": "jvasp-57479",
"created_at": "2022-09-04T14:37:09.087740Z",
"updated_at": "2022-09-04T14:37:09.087763Z",
"structure_string": "Sc1 F3\n1.0\n4.051272 -0.004685 0.004495\n0.004486 4.051272 0.004495\n-0.004696 -0.004685 4.051272\nSc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 -0.000140 0.000140 F\n-0.000140 0.000139 0.500000 F\n0.000140 0.500000 -0.000139 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"F"
],
"chemical_system": "F-Sc",
"density": 2.546040022039601,
"density_atomic": 0.06015671493550141,
"volume": 66.49299258260203,
"volume_molar": 10.010754022151634,
"formula_full": "Sc1 F3",
"formula_reduced": "ScF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0020599999999999,
"spacegroup": 221
},
{
"id": "jvasp-20134",
"created_at": "2022-09-04T14:38:29.238229Z",
"updated_at": "2022-09-04T14:38:29.238262Z",
"structure_string": "Mg2 F4\n1.0\n4.652103 0.000000 0.000000\n-0.000000 4.652103 0.000000\n0.000000 0.000000 3.072442\nMg F\n2 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.697167 0.697167 0.000000 F\n0.197167 0.802832 0.500000 F\n0.302832 0.302832 0.000000 F\n0.802832 0.197167 0.500000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"F"
],
"chemical_system": "F-Mg",
"density": 3.111697675712191,
"density_atomic": 0.09023373074546749,
"volume": 66.49398124660145,
"volume_molar": 6.673935245997236,
"formula_full": "Mg2 F4",
"formula_reduced": "MgF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002299999999999,
"spacegroup": 136
},
{
"id": "jvasp-93455",
"created_at": "2022-09-04T14:35:54.875188Z",
"updated_at": "2022-09-04T14:35:54.875211Z",
"structure_string": "Nb1 Cr1 O4\n1.0\n3.065401 0.000000 0.000000\n0.000000 4.657612 -0.035423\n0.000000 -0.035423 4.657612\nNb Cr O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Cr\n0.000000 0.692722 0.692722 O\n0.500000 0.798892 0.201108 O\n0.500000 0.201108 0.798892 O\n0.000000 0.307278 0.307278 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Nb-O",
"density": 5.216736684509303,
"density_atomic": 0.09023239043133177,
"volume": 66.49496894982619,
"volume_molar": 6.674034380794711,
"formula_full": "Nb1 Cr1 O4",
"formula_reduced": "NbCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2738151333333336,
"spacegroup": 65
},
{
"id": "jvasp-1231",
"created_at": "2022-09-04T14:37:16.446664Z",
"updated_at": "2022-09-04T14:37:16.446686Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.051447 0.001750 0.010947\n0.010922 4.051433 0.010947\n0.001754 0.001750 4.051461\nBa Ti O\n1 1 3\ndirect\n0.999306 0.999306 0.999308 Ba\n0.486016 0.486016 0.486017 Ti\n0.020290 0.511644 0.511644 O\n0.511644 0.511644 0.020291 O\n0.511644 0.020291 0.511644 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.8228305291613704,
"density_atomic": 0.07518670238617134,
"volume": 66.50112109345045,
"volume_molar": 8.009582238451273,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6323609606666667,
"spacegroup": 160
},
{
"id": "jvasp-37784",
"created_at": "2022-09-04T14:38:34.967426Z",
"updated_at": "2022-09-04T14:38:34.967454Z",
"structure_string": "Ga1 Si3\n1.0\n-0.000000 3.215641 3.215641\n3.215641 -0.000000 3.215641\n3.215641 3.215641 0.000000\nGa Si\n1 3\ndirect\n0.749999 0.749999 0.749999 Ga\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Si"
],
"chemical_system": "Ga-Si",
"density": 3.844849411688223,
"density_atomic": 0.06014884933693452,
"volume": 66.50168779777125,
"volume_molar": 10.012063117393822,
"formula_full": "Ga1 Si3",
"formula_reduced": "GaSi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3829295312499994,
"spacegroup": 225
},
{
"id": "jvasp-116258",
"created_at": "2022-09-04T14:38:41.372620Z",
"updated_at": "2022-09-04T14:38:41.372645Z",
"structure_string": "Mg1 Al1 O1\n1.0\n3.267657 0.000000 -0.000000\n0.000000 3.267657 -0.000000\n-0.000000 -0.000000 6.228961\nMg Al O\n1 1 1\ndirect\n-0.000000 -0.000000 -0.019283 Mg\n0.000000 0.000000 0.419246 Al\n0.000000 0.000000 0.687243 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 1.6799055866409653,
"density_atomic": 0.04510583393909151,
"volume": 66.5102435319351,
"volume_molar": 13.351134951039757,
"formula_full": "Mg1 Al1 O1",
"formula_reduced": "MgAlO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6557851166666668,
"spacegroup": 99
},
{
"id": "jvasp-40558",
"created_at": "2022-09-04T14:38:04.083860Z",
"updated_at": "2022-09-04T14:38:04.083883Z",
"structure_string": "Sc1 In1 Rh2\n1.0\n0.000000 3.215796 3.215796\n3.215796 0.000000 3.215796\n3.215796 3.215796 0.000000\nSc In Rh\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Sc\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Rh"
],
"chemical_system": "In-Rh-Sc",
"density": 9.127290924549712,
"density_atomic": 0.06014015230924401,
"volume": 66.51130478406137,
"volume_molar": 10.013510988521974,
"formula_full": "Sc1 In1 Rh2",
"formula_reduced": "ScInRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7623103050000002,
"spacegroup": 225
},
{
"id": "jvasp-67560",
"created_at": "2022-09-04T14:35:42.565703Z",
"updated_at": "2022-09-04T14:35:42.565739Z",
"structure_string": "Be1 P2 Br1\n1.0\n-2.273921 2.273921 3.215816\n2.273921 -2.273921 3.215816\n2.273921 2.273921 -3.215816\nBe P Br\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Be\n0.000000 0.000000 0.000000 P\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Br"
],
"chemical_system": "Be-Br-P",
"density": 3.766447702517923,
"density_atomic": 0.06013925771538447,
"volume": 66.51229416449455,
"volume_molar": 10.013659943227818,
"formula_full": "Be1 P2 Br1",
"formula_reduced": "BeP2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.14827280125,
"spacegroup": 216
},
{
"id": "jvasp-37152",
"created_at": "2022-09-04T14:38:07.792063Z",
"updated_at": "2022-09-04T14:38:07.792076Z",
"structure_string": "Nb3 Fe1\n1.0\n4.051730 0.000000 0.000000\n-0.000000 4.051730 0.000000\n-0.000000 -0.000000 4.051730\nNb Fe\n3 1\ndirect\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Fe"
],
"chemical_system": "Fe-Nb",
"density": 8.352317517986668,
"density_atomic": 0.06013654874418012,
"volume": 66.51529034391271,
"volume_molar": 10.014111028582779,
"formula_full": "Nb3 Fe1",
"formula_reduced": "Nb3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 5.047870925,
"spacegroup": 221
},
{
"id": "jvasp-43226",
"created_at": "2022-09-04T14:35:56.025266Z",
"updated_at": "2022-09-04T14:35:56.025296Z",
"structure_string": "Ti1 Mn1 O4\n1.0\n5.401709 0.243803 0.000000\n2.583268 4.750224 0.000000\n-3.992489 -2.497014 2.657604\nTi Mn O\n1 1 4\ndirect\n0.750000 0.249999 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.537900 0.037900 0.499999 O\n0.201271 0.201270 -0.000000 O\n0.962100 0.462099 0.499999 O\n0.798731 0.798728 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.163985933376882,
"density_atomic": 0.09020040211756114,
"volume": 66.51855046255784,
"volume_molar": 6.676401233944774,
"formula_full": "Ti1 Mn1 O4",
"formula_reduced": "TiMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.860758262452108,
"spacegroup": 119
}
]
}