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=id&page=1194",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1192",
"results": [
{
"id": "jvasp-120595",
"created_at": "2022-09-04T14:38:52.914009Z",
"updated_at": "2022-09-04T14:38:52.914037Z",
"structure_string": "V4 O2 F14\n1.0\n5.262954 -0.000000 0.000000\n-0.000000 5.572079 0.872392\n-0.000000 -0.309280 8.951907\nV O F\n4 2 14\ndirect\n0.668838 0.178380 0.801471 V\n0.331162 0.178380 0.301471 V\n0.163552 0.832809 0.672146 V\n0.836448 0.832809 0.172145 V\n0.469940 0.958850 0.776869 O\n0.530059 0.958850 0.276869 O\n0.351266 0.649902 0.576063 F\n0.054679 0.611517 0.815431 F\n0.259469 0.104409 0.513578 F\n0.129683 -0.161811 0.078224 F\n-0.012253 0.076019 0.292261 F\n0.740530 0.104409 0.013578 F\n0.012253 0.076019 0.792261 F\n0.273760 0.310203 0.117492 F\n0.494330 0.417792 0.849686 F\n0.505669 0.417792 0.349686 F\n0.648733 0.649902 0.076063 F\n-0.054679 0.611517 0.315431 F\n0.870316 -0.161811 0.578225 F\n0.726240 0.310203 0.617492 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.15663738594439,
"density_atomic": 0.07577479190775815,
"volume": 263.94001879076507,
"volume_molar": 7.94741972677516,
"formula_full": "V4 O2 F14",
"formula_reduced": "V2OF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.9305293877500004,
"spacegroup": 7
},
{
"id": "jvasp-120596",
"created_at": "2022-09-04T14:38:53.582537Z",
"updated_at": "2022-09-04T14:38:53.582563Z",
"structure_string": "Li4 Nb2 Ni3 Sn3 O16\n1.0\n6.089798 -0.007593 0.087547\n3.016841 5.290026 0.087547\n0.020723 0.012020 9.760862\nLi Nb Ni Sn O\n4 2 3 3 16\ndirect\n0.676621 0.676623 0.897674 Li\n0.982477 0.982479 0.985562 Li\n0.991359 0.991362 0.499656 Li\n0.332831 0.332832 0.406835 Li\n0.674843 0.674844 0.500135 Nb\n0.351551 0.351552 0.977979 Nb\n0.829266 0.829268 0.214456 Ni\n0.661198 0.171255 0.712460 Ni\n0.171254 0.661199 0.712460 Ni\n0.170410 0.170411 0.715924 Sn\n0.832895 0.337717 0.214177 Sn\n0.337715 0.832896 0.214177 Sn\n0.161261 0.161262 0.091437 O\n0.663498 0.169718 0.092833 O\n0.336747 0.336748 0.608772 O\n0.039044 0.480855 0.851042 O\n0.480854 0.039045 0.851042 O\n0.828939 0.828941 0.594272 O\n0.516619 0.960163 0.345937 O\n0.512761 0.512763 0.342321 O\n0.335195 0.834370 0.587976 O\n0.996069 0.996071 0.802791 O\n0.994862 0.994864 0.313906 O\n0.668014 0.668015 0.100155 O\n0.489516 0.489517 0.847098 O\n0.834369 0.335196 0.587976 O\n0.960162 0.516621 0.345937 O\n0.169717 0.663499 0.092833 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Sn",
"density": 5.2866489487428625,
"density_atomic": 0.08898528467573433,
"volume": 314.65876748085975,
"volume_molar": 6.7675692469208855,
"formula_full": "Li4 Nb2 Ni3 Sn3 O16",
"formula_reduced": "Li4Nb2Ni3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.5298552535714287,
"spacegroup": 8
},
{
"id": "jvasp-120598",
"created_at": "2022-09-04T14:38:52.959753Z",
"updated_at": "2022-09-04T14:38:52.959778Z",
"structure_string": "Li4 Mn1 Fe3 P4 O16\n1.0\n6.020321 -0.000000 0.000000\n0.000000 4.711420 0.009286\n-0.000000 -0.002033 10.338697\nLi Mn Fe P O\n4 1 3 4 16\ndirect\n0.249682 0.002174 0.002387 Li\n0.750317 0.002174 0.002387 Li\n0.249031 0.498288 0.498309 Li\n0.750969 0.498288 0.498309 Li\n0.500000 0.977703 0.718533 Mn\n-0.000000 0.473121 0.782223 Fe\n-0.000000 0.024887 0.280655 Fe\n0.500000 0.527662 0.219206 Fe\n-0.000000 0.581664 0.094076 P\n0.500000 0.081563 0.403985 P\n-0.000000 0.912855 0.592431 P\n0.500000 0.423313 0.909566 P\n0.205038 0.716061 0.165653 O\n0.794962 0.716061 0.165653 O\n0.705378 0.215518 0.332580 O\n0.294622 0.215518 0.332580 O\n0.500000 0.756090 0.404210 O\n-0.000000 0.789156 0.452822 O\n0.500000 0.211229 0.542115 O\n0.500000 0.748424 0.908816 O\n0.204199 0.775025 0.662811 O\n0.795801 0.775025 0.662811 O\n0.705004 0.290592 0.837460 O\n0.294996 0.290592 0.837460 O\n-0.000000 0.256090 0.094812 O\n-0.000000 0.711002 0.955565 O\n-0.000000 0.238430 0.595149 O\n0.500000 0.291504 0.047450 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Mn-O-P",
"density": 3.5680968564113735,
"density_atomic": 0.0954817974760594,
"volume": 293.2496113410577,
"volume_molar": 6.307108704682649,
"formula_full": "Li4 Mn1 Fe3 P4 O16",
"formula_reduced": "Li4MnFe3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 3.031790062192118,
"spacegroup": 6
},
{
"id": "jvasp-120599",
"created_at": "2022-09-04T14:38:53.711936Z",
"updated_at": "2022-09-04T14:38:53.711955Z",
"structure_string": "V6 F24\n1.0\n7.378026 -0.084857 -0.883830\n-0.985950 7.312343 -0.883830\n-0.075049 -0.084857 7.430396\nV F\n6 24\ndirect\n0.551007 0.924028 0.808292 V\n0.924030 0.808291 0.551007 V\n0.191708 0.448992 0.075971 V\n0.808292 0.551006 0.924030 V\n0.075971 0.191708 0.448993 V\n0.448993 0.075971 0.191708 V\n0.045132 0.310404 0.236918 F\n0.270870 0.340082 0.553106 F\n0.659917 0.446894 0.729131 F\n0.310405 0.236917 0.045132 F\n0.962179 0.354446 0.906156 F\n0.897602 0.292503 0.530997 F\n0.707496 0.469002 0.102398 F\n0.645554 0.093844 0.037822 F\n0.236918 0.045132 0.310405 F\n0.553106 0.270869 0.340083 F\n0.292504 0.530996 0.897602 F\n0.340083 0.553105 0.270870 F\n0.729131 0.659916 0.446895 F\n0.093845 0.037821 0.645554 F\n0.689596 0.763082 0.954868 F\n0.446895 0.729130 0.659917 F\n0.102398 0.707495 0.469003 F\n0.037822 0.645553 0.093845 F\n0.354446 0.906154 0.962179 F\n0.763083 0.954867 0.689596 F\n0.906156 0.962177 0.354446 F\n0.530997 0.897601 0.292504 F\n0.954868 0.689594 0.763083 F\n0.469003 0.102398 0.707496 F\n",
"nsites": 30,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 3.168561687524472,
"density_atomic": 0.07516251443237254,
"volume": 399.13513041121706,
"volume_molar": 8.012159791991019,
"formula_full": "V6 F24",
"formula_reduced": "VF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.2298690660000001,
"spacegroup": 148
},
{
"id": "jvasp-12060",
"created_at": "2022-09-04T14:37:06.899353Z",
"updated_at": "2022-09-04T14:37:06.899378Z",
"structure_string": "Cu2 Br2 O4\n1.0\n-0.000000 -0.000000 3.753260\n6.360810 0.143604 -0.000000\n-2.518748 5.842639 0.000000\nCu Br O\n2 2 4\ndirect\n0.500000 0.264690 0.264690 Cu\n0.000000 0.735309 0.735309 Cu\n0.750000 0.641191 0.358808 Br\n0.250000 0.358808 0.641191 Br\n0.214373 -0.002230 0.183142 O\n0.285628 0.816858 0.002230 O\n0.785628 0.183142 -0.002230 O\n0.714373 0.002230 0.816858 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Br",
"O"
],
"chemical_system": "Br-Cu-O",
"density": 4.1370710700050894,
"density_atomic": 0.05680067193689377,
"volume": 140.84340426268366,
"volume_molar": 10.602235069843314,
"formula_full": "Cu2 Br2 O4",
"formula_reduced": "CuBrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.02426538875,
"spacegroup": 20
},
{
"id": "jvasp-120601",
"created_at": "2022-09-04T14:38:51.592668Z",
"updated_at": "2022-09-04T14:38:51.592689Z",
"structure_string": "Li1 V4 O5 F7\n1.0\n5.009992 0.012329 -0.019900\n-0.276342 5.277519 -0.312218\n-0.025035 -0.053118 7.313621\nLi V O F\n1 4 5 7\ndirect\n0.514476 0.075100 0.194416 Li\n0.986494 0.969564 0.495691 V\n0.495631 0.520019 0.016573 V\n0.465415 0.487014 0.497106 V\n0.007173 0.006752 0.987778 V\n0.202606 0.293992 0.546325 O\n0.409193 0.506383 0.253769 O\n0.293314 0.210076 0.962054 O\n0.810697 0.696399 0.455850 O\n0.704277 0.812306 0.050561 O\n0.192950 0.696572 0.929624 F\n0.867873 0.020952 0.744033 F\n0.799988 0.307125 0.068557 F\n0.688362 0.182297 0.425070 F\n0.611499 0.497164 0.749909 F\n0.313510 0.807345 0.565900 F\n0.144982 0.984642 0.249496 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.639468158173515,
"density_atomic": 0.0879400364158167,
"volume": 193.31354287388513,
"volume_molar": 6.848008035299007,
"formula_full": "Li1 V4 O5 F7",
"formula_reduced": "LiV4O5F7",
"formula_anonymous": "AB4C5D7",
"energy_above_hull": 1.9851615457352945,
"spacegroup": 1
},
{
"id": "jvasp-120602",
"created_at": "2022-09-04T14:38:47.476666Z",
"updated_at": "2022-09-04T14:38:47.476690Z",
"structure_string": "Fe10 O9 F11\n1.0\n4.651021 0.028210 0.000618\n0.132308 4.641246 0.003274\n-0.008672 0.004529 15.187239\nFe O F\n10 9 11\ndirect\n0.991581 0.011601 0.999476 Fe\n0.040750 0.978204 0.790154 Fe\n0.978150 0.065769 0.599684 Fe\n0.049960 0.999079 0.403206 Fe\n0.048834 0.981187 0.209262 Fe\n0.495971 0.514195 0.907170 Fe\n0.479820 0.491567 0.500707 Fe\n0.462912 0.478081 0.701705 Fe\n0.465347 0.488082 0.297556 Fe\n0.494406 0.518293 0.092034 Fe\n0.664799 0.332449 0.599893 O\n0.702680 0.304168 -0.000187 O\n0.311841 0.683666 0.197950 O\n0.311971 0.679144 0.404012 O\n0.320544 0.685345 0.798773 O\n0.289459 0.720262 0.998499 O\n0.205636 0.176990 0.300873 O\n0.199146 0.214874 0.500560 O\n0.189290 0.210088 0.699032 O\n0.199474 0.199654 0.897497 F\n0.199223 0.198574 0.101626 F\n0.269074 0.727063 0.602281 F\n0.711471 0.285424 0.802760 F\n0.711155 0.280977 0.396705 F\n0.712109 0.282266 0.199060 F\n0.811864 0.805520 0.895861 F\n0.785589 0.801832 0.500816 F\n0.784231 0.801540 0.698056 F\n0.811462 0.809179 0.103998 F\n0.801256 0.774943 0.300985 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.6172612199705645,
"density_atomic": 0.09152393750046997,
"volume": 327.7831004576912,
"volume_molar": 6.579853232351457,
"formula_full": "Fe10 O9 F11",
"formula_reduced": "Fe10O9F11",
"formula_anonymous": "A9B10C11",
"energy_above_hull": 2.27312932025,
"spacegroup": 1
},
{
"id": "jvasp-120605",
"created_at": "2022-09-04T14:38:52.839058Z",
"updated_at": "2022-09-04T14:38:52.839089Z",
"structure_string": "Te4 O8\n1.0\n3.897427 0.000000 0.000000\n0.000000 5.472855 0.000000\n0.000000 -0.000000 8.001768\nTe O\n4 8\ndirect\n0.250000 0.255334 0.429614 Te\n0.250000 0.755333 0.070386 Te\n0.750001 0.744665 0.570386 Te\n0.750001 0.244666 0.929614 Te\n0.250000 0.121332 -0.001992 O\n0.250000 0.621331 0.501992 O\n0.750001 0.878668 0.001992 O\n0.750001 0.378668 0.498008 O\n0.250000 0.076542 0.630782 O\n0.250000 0.576542 0.869218 O\n0.750001 0.923457 0.369218 O\n0.750001 0.423457 0.130782 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 6.210989907781065,
"density_atomic": 0.07030777580380836,
"volume": 170.67813428610833,
"volume_molar": 8.565397911042721,
"formula_full": "Te4 O8",
"formula_reduced": "TeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3432915888888892,
"spacegroup": 62
},
{
"id": "jvasp-120606",
"created_at": "2022-09-04T14:38:53.023062Z",
"updated_at": "2022-09-04T14:38:53.023088Z",
"structure_string": "Sr3 Ta2 Zn1 O9\n1.0\n5.701998 -0.000000 0.000000\n-2.850998 4.938075 0.000000\n-0.000000 -0.000000 7.023579\nSr Ta Zn O\n3 2 1 9\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333334 0.340555 Sr\n0.333334 0.666667 0.659445 Sr\n0.666667 0.333334 0.823542 Ta\n0.333334 0.666667 0.176458 Ta\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.500000 -0.000000 O\n0.830302 0.660604 0.673945 O\n0.830302 0.169698 0.673945 O\n0.339397 0.169698 0.673945 O\n0.169698 0.339397 0.326055 O\n0.169698 0.830302 0.326055 O\n0.660604 0.830302 0.326055 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"Zn",
"O"
],
"chemical_system": "O-Sr-Ta-Zn",
"density": 7.004141491531955,
"density_atomic": 0.07584868312130119,
"volume": 197.7621678152436,
"volume_molar": 7.939677410574258,
"formula_full": "Sr3 Ta2 Zn1 O9",
"formula_reduced": "Sr3Ta2ZnO9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.4329452820000004,
"spacegroup": 164
},
{
"id": "jvasp-120608",
"created_at": "2022-09-04T14:38:47.651181Z",
"updated_at": "2022-09-04T14:38:47.651202Z",
"structure_string": "Li4 Nd4 Ge6\n1.0\n9.628892 0.001859 0.000000\n-8.605814 4.319203 0.000000\n-0.000000 0.000000 6.933408\nLi Nd Ge\n4 4 6\ndirect\n0.808886 0.191114 0.438009 Li\n0.191114 0.808885 0.561992 Li\n0.808886 0.191114 0.061992 Li\n0.191114 0.808885 0.938009 Li\n0.552065 0.447934 0.750000 Nd\n0.447935 0.552065 0.250000 Nd\n0.342606 0.657393 0.750000 Nd\n0.657394 0.342606 0.250000 Nd\n0.937445 0.062555 0.934416 Ge\n0.062555 0.937444 0.065585 Ge\n0.937445 0.062555 0.565585 Ge\n0.062555 0.937444 0.434416 Ge\n0.720283 0.279717 0.750000 Ge\n0.279717 0.720282 0.250000 Ge\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Nd",
"Ge"
],
"chemical_system": "Ge-Li-Nd",
"density": 5.990009552996016,
"density_atomic": 0.04853268488109779,
"volume": 288.46539263795466,
"volume_molar": 12.40842284896022,
"formula_full": "Li4 Nd4 Ge6",
"formula_reduced": "Li2Nd2Ge3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.04210155,
"spacegroup": 63
},
{
"id": "jvasp-120609",
"created_at": "2022-09-04T14:38:53.528116Z",
"updated_at": "2022-09-04T14:38:53.528132Z",
"structure_string": "Tb4 Sb6 Rh7\n1.0\n7.183375 -0.000000 -2.539707\n-3.591688 6.220985 -2.539707\n-0.000000 -0.000000 7.619120\nTb Sb Rh\n4 6 7\ndirect\n0.500000 0.000000 -0.000000 Tb\n0.000000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.316394 0.316394 -0.000000 Sb\n0.000000 0.683607 0.683606 Sb\n0.316394 0.000000 0.316394 Sb\n0.683607 0.000000 0.683606 Sb\n0.000000 0.316394 0.316394 Sb\n0.683607 0.683607 -0.000000 Sb\n0.500000 0.250000 0.750000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.750001 0.250000 Rh\n0.750001 0.500000 0.250000 Rh\n0.250000 0.750001 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.750001 0.250000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb-Tb",
"density": 10.176437576826654,
"density_atomic": 0.049929407753306766,
"volume": 340.480705959788,
"volume_molar": 12.061310219729496,
"formula_full": "Tb4 Sb6 Rh7",
"formula_reduced": "Tb4Sb6Rh7",
"formula_anonymous": "A4B6C7",
"energy_above_hull": 2.5764541882352945,
"spacegroup": 229
},
{
"id": "jvasp-12061",
"created_at": "2022-09-04T14:36:53.092150Z",
"updated_at": "2022-09-04T14:36:53.092170Z",
"structure_string": "Cu2 Cl2 O4\n1.0\n0.000000 0.000000 3.658752\n6.135534 0.141178 0.000000\n-2.349108 5.669779 -0.000000\nCu Cl O\n2 2 4\ndirect\n0.500000 0.271661 0.271661 Cu\n0.000000 0.728338 0.728339 Cu\n0.750000 0.635578 0.364422 Cl\n0.250000 0.364421 0.635579 Cl\n0.286891 0.810029 0.005259 O\n0.713108 0.005259 0.810030 O\n0.213109 -0.005259 0.189971 O\n0.786891 0.189970 -0.005259 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O",
"density": 3.385874817873142,
"density_atomic": 0.0622612433369655,
"volume": 128.4908487404117,
"volume_molar": 9.67237471858285,
"formula_full": "Cu2 Cl2 O4",
"formula_reduced": "CuClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.044982879375,
"spacegroup": 20
}
]
}