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=spacegroup&page=952",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=950",
"results": [
{
"id": "jvasp-30201",
"created_at": "2022-09-04T14:36:46.729205Z",
"updated_at": "2022-09-04T14:36:46.729218Z",
"structure_string": "Mg4 Sn2 O8\n1.0\n5.185709 -0.000000 0.000000\n0.000000 9.916012 0.000000\n0.000000 0.000000 3.099973\nMg Sn O\n4 2 8\ndirect\n0.020508 0.288489 0.499999 Mg\n0.479492 0.788489 0.499999 Mg\n0.520508 0.211511 0.499999 Mg\n0.979492 0.711511 0.499999 Mg\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.220195 0.823746 0.000000 O\n0.210996 0.089345 0.499999 O\n0.289004 0.589345 0.499999 O\n0.279805 0.323746 0.000000 O\n0.720195 0.676253 0.000000 O\n0.710996 0.410655 0.499999 O\n0.789004 0.910655 0.499999 O\n0.779806 0.176253 0.000000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.819307897786334,
"density_atomic": 0.08782637108198858,
"volume": 159.40542490285264,
"volume_molar": 6.856870761947056,
"formula_full": "Mg4 Sn2 O8",
"formula_reduced": "Mg2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0110433999999997,
"spacegroup": 55
},
{
"id": "jvasp-34648",
"created_at": "2022-09-04T14:36:51.641497Z",
"updated_at": "2022-09-04T14:36:51.641517Z",
"structure_string": "Rb4 C4 O8\n1.0\n3.575016 0.000000 0.000000\n0.000000 6.324077 -0.000000\n0.000000 0.000000 11.322484\nRb C O\n4 4 8\ndirect\n0.500001 0.093528 0.151821 Rb\n0.500001 0.406472 0.651820 Rb\n0.500001 0.906473 0.848179 Rb\n0.500001 0.593528 0.348179 Rb\n0.000000 0.067587 0.440955 C\n0.000000 0.567588 0.059045 C\n0.000000 0.932413 0.559045 C\n0.000000 0.432413 0.940955 C\n0.000000 0.465708 0.155581 O\n0.000000 0.266852 0.451657 O\n0.000000 0.233148 0.951657 O\n0.000000 0.965709 0.344419 O\n0.000000 0.034292 0.655581 O\n0.000000 0.534292 0.844419 O\n0.000000 0.733148 0.548342 O\n0.000000 0.766852 0.048342 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.3595868186833875,
"density_atomic": 0.06250332598700675,
"volume": 255.98637748215344,
"volume_molar": 9.63491248650014,
"formula_full": "Rb4 C4 O8",
"formula_reduced": "RbCO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.05979425,
"spacegroup": 55
},
{
"id": "jvasp-107393",
"created_at": "2022-09-04T14:36:53.756767Z",
"updated_at": "2022-09-04T14:36:53.756782Z",
"structure_string": "Mn2 F8\n1.0\n2.929326 -0.000000 0.000000\n0.000000 4.526094 0.000000\n-0.000000 -0.000000 8.884203\nMn F\n2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n-0.000000 0.290448 0.131844 F\n-0.000000 0.790447 0.368156 F\n0.500001 0.177510 0.898788 F\n0.500001 0.322489 0.398788 F\n0.500001 0.677510 0.601212 F\n0.500001 0.822489 0.101212 F\n-0.000000 0.209552 0.631844 F\n-0.000000 0.709551 0.868156 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.6915946746607435,
"density_atomic": 0.08489659086618571,
"volume": 117.7903599893903,
"volume_molar": 7.093501280271805,
"formula_full": "Mn2 F8",
"formula_reduced": "MnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.3265276742758619,
"spacegroup": 55
},
{
"id": "jvasp-50222",
"created_at": "2022-09-04T14:36:57.409230Z",
"updated_at": "2022-09-04T14:36:57.409252Z",
"structure_string": "Ca4 Pr2 O8\n1.0\n3.614849 0.000000 0.000000\n0.000000 5.950256 0.000000\n0.000000 -0.000000 9.902252\nCa Pr O\n4 2 8\ndirect\n0.500000 0.058229 0.324720 Ca\n0.500000 0.441771 0.824720 Ca\n0.500000 0.558230 0.175280 Ca\n0.500000 0.941771 0.675280 Ca\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.164949 0.783301 O\n0.500000 0.252673 0.037700 O\n0.500000 0.247328 0.537700 O\n0.000000 0.335051 0.283301 O\n0.000000 0.664950 0.716699 O\n0.500000 0.752673 0.462300 O\n0.500000 0.747328 0.962300 O\n0.000000 0.835051 0.216699 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Pr",
"O"
],
"chemical_system": "Ca-O-Pr",
"density": 4.444853919351679,
"density_atomic": 0.06573069885316457,
"volume": 212.99028071000006,
"volume_molar": 9.161838935339523,
"formula_full": "Ca4 Pr2 O8",
"formula_reduced": "Ca2PrO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2777120985714283,
"spacegroup": 55
},
{
"id": "jvasp-50211",
"created_at": "2022-09-04T14:36:58.270933Z",
"updated_at": "2022-09-04T14:36:58.270968Z",
"structure_string": "Ca4 Ce2 O8\n1.0\n3.523854 0.000000 0.000000\n0.000000 5.831381 -0.000000\n0.000000 -0.000000 9.947251\nCa Ce O\n4 2 8\ndirect\n0.499999 0.060172 0.678564 Ca\n0.499999 0.439828 0.178564 Ca\n0.499999 0.560172 0.821436 Ca\n0.499999 0.939827 0.321436 Ca\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.155023 0.203731 O\n0.499999 0.241283 0.960800 O\n0.499999 0.258717 0.460800 O\n0.000000 0.344977 0.703731 O\n0.000000 0.655023 0.296269 O\n0.499999 0.741283 0.539199 O\n0.499999 0.758717 0.039200 O\n0.000000 0.844977 0.796269 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"O"
],
"chemical_system": "Ca-Ce-O",
"density": 4.618671887955162,
"density_atomic": 0.06849133558492737,
"volume": 204.40541683758505,
"volume_molar": 8.792558516445794,
"formula_full": "Ca4 Ce2 O8",
"formula_reduced": "Ca2CeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2977743342857138,
"spacegroup": 55
},
{
"id": "jvasp-12186",
"created_at": "2022-09-04T14:37:05.175055Z",
"updated_at": "2022-09-04T14:37:05.175079Z",
"structure_string": "Si8 As16\n1.0\n15.011172 0.000000 0.000000\n0.000000 10.242490 0.000000\n0.000000 0.000000 3.711829\nSi As\n8 16\ndirect\n0.264886 0.196155 0.500001 Si\n0.735115 0.803844 0.500001 Si\n0.764885 0.303845 0.500001 Si\n0.235115 0.696155 0.500001 Si\n0.143661 0.413529 0.000000 Si\n0.856340 0.586470 0.000000 Si\n0.643660 0.086470 0.000000 Si\n0.356339 0.913529 0.000000 Si\n0.704909 0.658886 0.000000 As\n0.295090 0.341115 0.000000 As\n0.106712 0.553566 0.500001 As\n0.893288 0.446433 0.500001 As\n0.606711 0.946432 0.500001 As\n0.393288 0.053567 0.500001 As\n0.458439 0.730551 0.000000 As\n0.386575 0.600467 0.500001 As\n0.958439 0.769449 0.000000 As\n0.041561 0.230551 0.000000 As\n0.795090 0.158886 0.000000 As\n0.613424 0.399533 0.500001 As\n0.886576 0.899534 0.500001 As\n0.113424 0.100467 0.500001 As\n0.541560 0.269450 0.000000 As\n0.204910 0.841114 0.000000 As\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"As"
],
"chemical_system": "As-Si",
"density": 4.14168418652534,
"density_atomic": 0.04205359533904488,
"volume": 570.7003124585896,
"volume_molar": 14.3201567225067,
"formula_full": "Si8 As16",
"formula_reduced": "SiAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2806273666666668,
"spacegroup": 55
},
{
"id": "jvasp-29594",
"created_at": "2022-09-04T14:37:05.549167Z",
"updated_at": "2022-09-04T14:37:05.549191Z",
"structure_string": "Cu4 Hg4 Se4 Cl4\n1.0\n4.230120 0.000000 0.000000\n0.000000 7.214025 0.000000\n0.000000 0.000000 12.847759\nCu Hg Se Cl\n4 4 4 4\ndirect\n0.500000 0.804924 0.473292 Cu\n0.500000 0.304925 0.026708 Cu\n0.500000 0.195075 0.526708 Cu\n0.500000 0.695075 0.973292 Cu\n0.000000 0.589312 0.250649 Hg\n0.000000 0.089312 0.249351 Hg\n0.000000 0.410687 0.749351 Hg\n0.000000 0.910687 0.750649 Hg\n0.000000 0.840458 0.391420 Se\n0.000000 0.659541 0.891420 Se\n0.000000 0.159541 0.608580 Se\n0.000000 0.340458 0.108580 Se\n0.500000 0.835791 0.128804 Cl\n0.500000 0.335791 0.371196 Cl\n0.500000 0.164209 0.871196 Cl\n0.500000 0.664208 0.628804 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"Se",
"Cl"
],
"chemical_system": "Cl-Cu-Hg-Se",
"density": 6.413180744957963,
"density_atomic": 0.04080959366296584,
"volume": 392.0646731290487,
"volume_molar": 14.756679053790757,
"formula_full": "Cu4 Hg4 Se4 Cl4",
"formula_reduced": "CuHgSeCl",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 55
},
{
"id": "jvasp-8170",
"created_at": "2022-09-04T14:37:05.969367Z",
"updated_at": "2022-09-04T14:37:05.969387Z",
"structure_string": "Rb4 Te4\n1.0\n4.869587 0.000000 0.000000\n0.000000 5.785928 0.000000\n0.000000 -0.000000 11.085864\nRb Te\n4 4\ndirect\n0.500000 0.670650 0.865951 Rb\n0.500000 0.329350 0.134048 Rb\n0.500000 0.170650 0.634048 Rb\n0.500000 0.829351 0.365951 Rb\n0.000000 0.145945 0.894536 Te\n0.000000 0.854055 0.105463 Te\n0.000000 0.645945 0.605463 Te\n0.000000 0.354055 0.394537 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 4.530980673094086,
"density_atomic": 0.0256126954928353,
"volume": 312.3451025386164,
"volume_molar": 23.512327164802265,
"formula_full": "Rb4 Te4",
"formula_reduced": "RbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0110594416666667,
"spacegroup": 55
},
{
"id": "jvasp-9556",
"created_at": "2022-09-04T14:37:08.067073Z",
"updated_at": "2022-09-04T14:37:08.067110Z",
"structure_string": "Mg4 Sn4 O10\n1.0\n3.944622 0.000000 0.000000\n0.000000 5.564451 -0.000000\n0.000000 -0.000000 10.474199\nMg Sn O\n4 4 10\ndirect\n0.500000 0.135130 0.892016 Mg\n0.500000 0.864869 0.107985 Mg\n0.500000 0.635130 0.607985 Mg\n0.500000 0.364870 0.392016 Mg\n0.000000 0.156156 0.611237 Sn\n0.000000 0.843843 0.388763 Sn\n0.000000 0.343844 0.111237 Sn\n0.000000 0.656156 0.888763 Sn\n0.500000 0.266650 0.596613 O\n0.000000 0.791141 0.703028 O\n0.500000 0.766650 0.903387 O\n0.500000 0.233350 0.096613 O\n0.000000 0.500000 0.500000 O\n0.000000 0.708859 0.203028 O\n0.000000 0.208859 0.296972 O\n0.000000 0.000000 0.000000 O\n0.000000 0.291141 0.796972 O\n0.500000 0.733349 0.403387 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.287418419988506,
"density_atomic": 0.07829318655146263,
"volume": 229.9050631713461,
"volume_molar": 7.691781399191879,
"formula_full": "Mg4 Sn4 O10",
"formula_reduced": "Mg2Sn2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.2674287777777775,
"spacegroup": 55
},
{
"id": "jvasp-9555",
"created_at": "2022-09-04T14:37:07.921325Z",
"updated_at": "2022-09-04T14:37:07.921351Z",
"structure_string": "Ca4 Sb4 O10\n1.0\n4.263723 0.000000 0.000000\n0.000000 6.403400 0.000000\n0.000000 0.000000 10.168807\nCa Sb O\n4 4 10\ndirect\n0.500000 0.154821 0.860881 Ca\n0.500000 0.845179 0.139119 Ca\n0.500000 0.654821 0.639119 Ca\n0.500000 0.345179 0.360881 Ca\n0.000000 0.216343 0.605184 Sb\n0.000000 0.783657 0.394816 Sb\n0.000000 0.283657 0.105184 Sb\n0.000000 0.716343 0.894816 Sb\n0.500000 0.286174 0.616176 O\n0.000000 0.814704 0.709294 O\n0.500000 0.786174 0.883825 O\n0.500000 0.213826 0.116175 O\n0.000000 0.500000 0.500000 O\n0.000000 0.685296 0.209294 O\n0.000000 0.185296 0.290706 O\n0.000000 0.000000 0.000000 O\n0.000000 0.314704 0.790706 O\n0.500000 0.713826 0.383825 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 4.8287995405577,
"density_atomic": 0.06483401042576543,
"volume": 277.63206196553114,
"volume_molar": 9.288551981363728,
"formula_full": "Ca4 Sb4 O10",
"formula_reduced": "Ca2Sb2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.6554445044444444,
"spacegroup": 55
},
{
"id": "jvasp-9554",
"created_at": "2022-09-04T14:37:08.039386Z",
"updated_at": "2022-09-04T14:37:08.039403Z",
"structure_string": "Ca4 Ti4 O10\n1.0\n0.000000 5.294483 -0.001358\n3.966058 0.000000 0.000000\n0.000000 -0.002648 -10.479811\nCa Ti O\n4 4 10\ndirect\n0.771334 0.500000 0.117470 Ca\n0.228668 0.500000 0.882531 Ca\n0.271338 0.500000 0.382534 Ca\n0.728656 0.500000 0.617467 Ca\n0.776663 0.000000 0.371902 Ti\n0.223335 0.000000 0.628099 Ti\n0.723339 0.000000 0.871899 Ti\n0.276662 0.000000 0.128101 Ti\n0.788620 0.500000 0.384846 O\n0.111386 0.000000 0.291191 O\n0.288621 0.500000 0.115160 O\n0.711387 0.500000 0.884840 O\n0.499996 0.000000 0.499999 O\n0.388608 0.000000 0.791195 O\n0.888607 0.000000 0.708805 O\n-0.000001 0.000000 0.000001 O\n0.611388 0.000000 0.208807 O\n0.211384 0.500000 0.615155 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.861812803403669,
"density_atomic": 0.08179681761485973,
"volume": 220.05746097302944,
"volume_molar": 7.362316695932165,
"formula_full": "Ca4 Ti4 O10",
"formula_reduced": "Ca2Ti2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.125992778518518,
"spacegroup": 55
},
{
"id": "jvasp-9557",
"created_at": "2022-09-04T14:37:08.482391Z",
"updated_at": "2022-09-04T14:37:08.482414Z",
"structure_string": "Ca4 Sn4 O10\n1.0\n4.143274 0.000000 0.000000\n0.000000 5.564560 0.000000\n0.000000 -0.000000 10.599151\nCa Sn O\n4 4 10\ndirect\n0.499999 0.141741 0.853019 Ca\n0.499999 0.858259 0.146981 Ca\n0.499999 0.641741 0.646981 Ca\n0.499999 0.358259 0.353019 Ca\n0.000000 0.164523 0.604023 Sn\n0.000000 0.835477 0.395977 Sn\n0.000000 0.335477 0.104023 Sn\n0.000000 0.664523 0.895977 Sn\n0.499999 0.214193 0.624666 O\n0.000000 0.853942 0.722782 O\n0.499999 0.714193 0.875334 O\n0.499999 0.285807 0.124666 O\n0.000000 0.500000 0.500000 O\n0.000000 0.646058 0.222782 O\n0.000000 0.146058 0.277218 O\n0.000000 0.000000 0.000000 O\n0.000000 0.353942 0.777218 O\n0.499999 0.785807 0.375334 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.4031921511435606,
"density_atomic": 0.07365919046032449,
"volume": 244.36869163930677,
"volume_molar": 8.175681435494113,
"formula_full": "Ca4 Sn4 O10",
"formula_reduced": "Ca2Sn2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.3412074925925923,
"spacegroup": 55
}
]
}