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=-energy_above_hull&page=1568",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1566",
"results": [
{
"id": "jvasp-31829",
"created_at": "2022-09-04T14:38:01.345087Z",
"updated_at": "2022-09-04T14:38:01.345102Z",
"structure_string": "Co1 Sn1 H12 O6 F6\n1.0\n6.471602 0.089035 -0.692306\n-0.779639 6.425085 -0.692307\n0.077798 0.089036 6.508062\nCo Sn H O F\n1 1 12 6 6\ndirect\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.347094 0.182599 0.695404 H\n0.695404 0.347093 0.182597 H\n0.182599 0.695404 0.347094 H\n0.304596 0.652907 0.817401 H\n0.817401 0.304595 0.652907 H\n0.687723 0.899162 0.545508 H\n0.454491 0.312277 0.100838 H\n0.100838 0.454490 0.312277 H\n0.312277 0.100839 0.454491 H\n0.545509 0.687725 0.899161 H\n0.899161 0.545511 0.687722 H\n0.652906 0.817403 0.304594 H\n0.602672 0.799330 0.440789 O\n0.559210 0.397328 0.200671 O\n0.397328 0.200672 0.559209 O\n0.440790 0.602672 0.799329 O\n0.200670 0.559211 0.397328 O\n0.799330 0.440791 0.602671 O\n0.865851 0.062814 0.726023 F\n0.062813 0.726023 0.865850 F\n0.726023 0.865850 0.062812 F\n0.134148 0.937187 0.273975 F\n0.273977 0.134149 0.937188 F\n0.937187 0.273977 0.134148 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Co",
"Sn",
"H",
"O",
"F"
],
"chemical_system": "Co-F-H-O-Sn",
"density": 2.4416470656913845,
"density_atomic": 0.09564130814111793,
"volume": 271.8490629763995,
"volume_molar": 6.296589702761471,
"formula_full": "Co1 Sn1 H12 O6 F6",
"formula_reduced": "CoSnH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy_above_hull": 2.3152767421153846,
"spacegroup": 148
},
{
"id": "jvasp-58433",
"created_at": "2022-09-04T14:37:58.222934Z",
"updated_at": "2022-09-04T14:37:58.222948Z",
"structure_string": "Al4 Si2 O10\n1.0\n4.717194 0.000000 0.000000\n-2.358597 4.408935 -1.749872\n0.000000 -0.024430 6.675149\nAl Si O\n4 2 10\ndirect\n0.875633 0.232393 0.272299 Al\n0.143240 0.767606 0.227701 Al\n0.856758 0.232393 0.772299 Al\n0.124365 0.767606 0.727701 Al\n0.499999 0.499999 0.500000 Si\n0.499999 0.499999 0.000000 Si\n0.312198 0.499999 0.750000 O\n0.687800 0.499999 0.250000 O\n0.907897 0.663311 0.952172 O\n0.744586 0.336688 0.547828 O\n0.092101 0.336688 0.047828 O\n0.255412 0.663311 0.452172 O\n0.536772 0.860627 0.145392 O\n0.176145 0.139372 0.354608 O\n0.463226 0.139372 0.854608 O\n0.823853 0.860627 0.645392 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 3.8821219705817893,
"density_atomic": 0.11541782437446882,
"volume": 138.6267683238301,
"volume_molar": 5.217686949687589,
"formula_full": "Al4 Si2 O10",
"formula_reduced": "Al2SiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3152152125,
"spacegroup": 15
},
{
"id": "jvasp-35344",
"created_at": "2022-09-04T14:37:36.957009Z",
"updated_at": "2022-09-04T14:37:36.957025Z",
"structure_string": "Th2 Si2 Pt2\n1.0\n4.183200 0.000000 0.000000\n0.000000 4.183200 0.000000\n-2.091600 -2.091600 7.411455\nTh Si Pt\n2 2 2\ndirect\n0.580761 0.580761 0.161521 Th\n0.830760 0.330760 0.661521 Th\n-0.000013 -0.000013 -0.000026 Si\n0.249987 0.749987 0.499974 Si\n0.166252 0.166252 0.332504 Pt\n0.416252 0.916252 0.832504 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Th",
"density": 11.65649080838235,
"density_atomic": 0.046262651112373855,
"volume": 129.6942534794592,
"volume_molar": 13.017284170273719,
"formula_full": "Th2 Si2 Pt2",
"formula_reduced": "ThSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3150752,
"spacegroup": 109
},
{
"id": "jvasp-41210",
"created_at": "2022-09-04T14:37:37.849644Z",
"updated_at": "2022-09-04T14:37:37.849664Z",
"structure_string": "Mn1 In1 Rh2\n1.0\n0.000004 3.139021 3.139028\n3.139026 -0.000001 3.139032\n3.139027 3.139026 -0.000001\nMn In Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750001 Mn\n0.250001 0.250001 0.250001 In\n0.000000 0.000001 0.000000 Rh\n0.500001 0.500000 0.500002 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"In",
"Rh"
],
"chemical_system": "In-Mn-Rh",
"density": 10.08141985298112,
"density_atomic": 0.06466140226578344,
"volume": 61.86070607560362,
"volume_molar": 9.313346987506806,
"formula_full": "Mn1 In1 Rh2",
"formula_reduced": "MnInRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3150408028448277,
"spacegroup": 225
},
{
"id": "jvasp-120414",
"created_at": "2022-09-04T14:38:54.000983Z",
"updated_at": "2022-09-04T14:38:54.001009Z",
"structure_string": "Mn4 Bi4 O12\n1.0\n5.297043 0.047471 1.588762\n2.354497 4.745235 1.588762\n-0.109485 -0.068578 9.708765\nMn Bi O\n4 4 12\ndirect\n0.239366 0.770774 0.756936 Mn\n0.770774 0.239366 0.256936 Mn\n0.505064 0.005062 0.006931 Mn\n0.005063 0.505064 0.506931 Mn\n0.359176 0.916436 0.380362 Bi\n0.916436 0.359175 0.880363 Bi\n0.093691 0.650997 0.133492 Bi\n0.650997 0.093691 0.633492 Bi\n0.824429 0.889895 0.848745 O\n0.889895 0.824429 0.348745 O\n0.314402 0.389544 0.880147 O\n0.389544 0.314401 0.380147 O\n0.620599 0.695740 0.633708 O\n0.897928 0.288056 0.421470 O\n0.722095 0.112207 0.092380 O\n0.112208 0.722096 0.592380 O\n0.185723 0.120200 0.165108 O\n0.288057 0.897928 0.921470 O\n0.695739 0.620599 0.133708 O\n0.120201 0.185723 0.665109 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O",
"density": 8.48787192788629,
"density_atomic": 0.08193721037273935,
"volume": 244.08934486563913,
"volume_molar": 7.349701963985312,
"formula_full": "Mn4 Bi4 O12",
"formula_reduced": "MnBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.315022408275862,
"spacegroup": 15
},
{
"id": "jvasp-37981",
"created_at": "2022-09-04T14:38:17.885253Z",
"updated_at": "2022-09-04T14:38:17.885270Z",
"structure_string": "Co1 Te1 O3\n1.0\n3.790715 -0.000000 -0.000000\n-0.000000 3.790715 -0.000000\n-0.000000 0.000000 3.790715\nCo Te O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Co\n0.000000 0.000000 0.000000 Te\n0.499999 0.499999 0.000000 O\n0.000000 0.499999 0.499999 O\n0.499999 0.000000 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 7.149681291701809,
"density_atomic": 0.09179237419929702,
"volume": 54.470755807493774,
"volume_molar": 6.560611175526299,
"formula_full": "Co1 Te1 O3",
"formula_reduced": "CoTeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3150118333333336,
"spacegroup": 221
},
{
"id": "jvasp-15954",
"created_at": "2022-09-04T14:37:51.625297Z",
"updated_at": "2022-09-04T14:37:51.625323Z",
"structure_string": "Ho3 Ga1 C1\n1.0\n5.230017 0.000000 -0.000000\n0.000000 5.230017 0.000000\n0.000000 0.000000 5.230017\nHo Ga C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"C"
],
"chemical_system": "C-Ga-Ho",
"density": 6.6920269952978,
"density_atomic": 0.03495108825815893,
"volume": 143.05706200243444,
"volume_molar": 17.230195281814154,
"formula_full": "Ho3 Ga1 C1",
"formula_reduced": "Ho3GaC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.314975805,
"spacegroup": 221
},
{
"id": "jvasp-56647",
"created_at": "2022-09-04T14:38:28.581679Z",
"updated_at": "2022-09-04T14:38:28.581703Z",
"structure_string": "Ho4 Mo4 O16 F4\n1.0\n0.000000 5.201656 -0.000247\n12.270368 0.000000 0.000000\n0.000000 -2.620497 -6.117880\nHo Mo O F\n4 4 16 4\ndirect\n0.360984 0.050798 0.199850 Ho\n0.360984 0.449202 0.699850 Ho\n0.639017 0.949202 0.800150 Ho\n0.639017 0.550798 0.300150 Ho\n0.923131 0.855921 0.371158 Mo\n0.923130 0.644080 0.871158 Mo\n0.076870 0.355921 0.128843 Mo\n0.076870 0.144079 0.628843 Mo\n0.240264 0.654321 0.094831 O\n0.759737 0.154320 0.405170 O\n0.308153 0.434564 0.037630 O\n0.691848 0.934564 0.462370 O\n0.003203 0.430741 0.336657 O\n0.691848 0.565436 0.962370 O\n0.240264 0.845680 0.594831 O\n0.810143 0.778318 0.794343 O\n0.996798 0.930741 0.163343 O\n0.759736 0.345680 0.905170 O\n0.308152 0.065436 0.537630 O\n0.189858 0.221682 0.205658 O\n0.810143 0.721682 0.294343 O\n0.189857 0.278318 0.705658 O\n0.003203 0.069259 0.836657 O\n0.996798 0.569259 0.663343 O\n0.453820 0.900406 0.036402 F\n0.546181 0.400406 0.463599 F\n0.453819 0.599595 0.536402 F\n0.546181 0.099595 0.963599 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ho",
"Mo",
"O",
"F"
],
"chemical_system": "F-Ho-Mo-O",
"density": 5.849109217676998,
"density_atomic": 0.07170493202035656,
"volume": 390.48917851356424,
"volume_molar": 8.39850285094804,
"formula_full": "Ho4 Mo4 O16 F4",
"formula_reduced": "HoMoO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.314850821309524,
"spacegroup": 14
},
{
"id": "jvasp-57994",
"created_at": "2022-09-04T14:37:10.220673Z",
"updated_at": "2022-09-04T14:37:10.220693Z",
"structure_string": "Ni9 O13\n1.0\n2.868826 -0.000839 -0.000579\n-1.433768 4.764483 -0.053941\n-1.430805 -2.336225 16.025572\nNi O\n9 13\ndirect\n0.000001 0.500000 0.500000 Ni\n0.397149 0.751371 0.042823 Ni\n0.602854 0.248629 0.957177 Ni\n0.667914 0.919599 0.415977 Ni\n0.332088 0.080401 0.584023 Ni\n0.186736 0.247090 0.125908 Ni\n0.813267 0.752910 0.874092 Ni\n0.329050 0.334720 0.322589 Ni\n0.670952 0.665280 0.677411 Ni\n0.996761 0.384170 0.609574 O\n0.003241 0.615830 0.390426 O\n0.300897 0.922182 0.680239 O\n0.699106 0.077818 0.319761 O\n0.428012 -0.003353 0.859698 O\n0.344803 0.463755 0.225391 O\n0.228286 0.524849 0.931896 O\n0.771716 0.475151 0.068104 O\n0.655200 0.536246 0.774609 O\n0.336936 0.202503 0.471408 O\n0.000000 0.000000 0.000000 O\n0.571992 0.003354 0.140302 O\n0.663066 0.797497 0.528592 O\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 5.591112265118367,
"density_atomic": 0.10061358740022218,
"volume": 218.65833997637003,
"volume_molar": 5.985415007661978,
"formula_full": "Ni9 O13",
"formula_reduced": "Ni9O13",
"formula_anonymous": "A9B13",
"energy_above_hull": 2.314771231818182,
"spacegroup": 12
},
{
"id": "jvasp-97413",
"created_at": "2022-09-04T14:35:52.669428Z",
"updated_at": "2022-09-04T14:35:52.669458Z",
"structure_string": "Na6 Si6 B6 O24\n1.0\n8.068432 0.000000 0.000000\n-4.034216 6.987467 -0.000000\n-0.000000 0.000000 7.702520\nNa Si B O\n6 6 6 24\ndirect\n0.000000 0.000000 0.231101 Na\n0.333333 0.666667 0.266421 Na\n0.666667 0.333333 0.766421 Na\n0.666667 0.333333 0.197393 Na\n0.000000 0.000000 0.731101 Na\n0.333333 0.666667 0.697393 Na\n0.683580 0.660926 0.512394 Si\n0.339074 0.022655 0.512394 Si\n0.316420 0.339074 0.012394 Si\n0.022654 0.683580 0.012394 Si\n0.977345 0.316420 0.512394 Si\n0.660925 0.977346 0.012394 Si\n0.661674 0.981167 0.392866 B\n0.981167 0.319493 0.892866 B\n0.680507 0.661675 0.892866 B\n0.319492 0.338326 0.392866 B\n0.338325 0.018833 0.892866 B\n0.018833 0.680508 0.392866 B\n0.529647 0.074056 0.968322 O\n0.749228 0.888456 0.492740 O\n0.728178 0.631625 0.713309 O\n0.809722 0.599302 0.389196 O\n0.544408 0.470353 0.968322 O\n0.455592 0.529648 0.468322 O\n0.860772 0.749228 0.992740 O\n0.271821 0.368376 0.213309 O\n0.903445 0.271821 0.713309 O\n0.925944 0.455592 0.968322 O\n0.250772 0.111544 0.992740 O\n0.139228 0.250772 0.492740 O\n0.210420 0.809723 0.889196 O\n0.470352 0.925945 0.468322 O\n0.111544 0.860773 0.492740 O\n0.400698 0.210421 0.389196 O\n0.631624 0.903446 0.213309 O\n0.888455 0.139228 0.992740 O\n0.368375 0.096554 0.713309 O\n0.599301 0.789580 0.889196 O\n0.096554 0.728179 0.213309 O\n0.190277 0.400698 0.889196 O\n0.074055 0.544408 0.468322 O\n0.789579 0.190278 0.389196 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Na",
"Si",
"B",
"O"
],
"chemical_system": "B-Na-O-Si",
"density": 2.888209442500244,
"density_atomic": 0.09671805243048864,
"volume": 434.25192034532995,
"volume_molar": 6.226490927666392,
"formula_full": "Na6 Si6 B6 O24",
"formula_reduced": "NaSiBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.314733454761905,
"spacegroup": 173
},
{
"id": "jvasp-42370",
"created_at": "2022-09-04T14:37:28.845296Z",
"updated_at": "2022-09-04T14:37:28.845319Z",
"structure_string": "Fe8 O12 F4\n1.0\n0.000000 -0.000000 -5.780669\n4.603219 4.603219 0.000000\n4.312315 -4.312315 2.890335\nFe O F\n8 12 4\ndirect\n0.500045 0.031707 0.000091 Fe\n0.000045 0.968294 0.000091 Fe\n0.749965 0.500000 0.999932 Fe\n0.249965 0.500000 0.999932 Fe\n0.500033 -0.000000 0.500066 Fe\n0.000033 0.000000 0.500066 Fe\n0.749954 0.531707 0.499908 Fe\n0.249954 0.468293 0.499908 Fe\n0.751763 0.809698 0.503528 O\n0.597875 0.500000 0.695752 O\n0.097875 0.500000 0.695752 O\n0.902213 0.500000 0.304426 O\n0.402213 0.500000 0.304426 O\n0.152123 0.000000 0.804247 O\n0.251763 0.190302 0.503528 O\n0.998235 0.690302 0.996470 O\n0.498235 0.309698 0.996470 O\n0.847786 -0.000000 0.195574 O\n0.347786 -0.000000 0.195574 O\n0.652123 -0.000000 0.804247 O\n0.748247 0.224279 0.496495 F\n0.001753 0.275721 0.003505 F\n0.501753 0.724279 0.003505 F\n0.248246 0.775722 0.496495 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.171551686072826,
"density_atomic": 0.10457575997586101,
"volume": 229.49869076294416,
"volume_molar": 5.758639250042339,
"formula_full": "Fe8 O12 F4",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.314663630416667,
"spacegroup": 64
},
{
"id": "jvasp-35165",
"created_at": "2022-09-04T14:37:31.240607Z",
"updated_at": "2022-09-04T14:37:31.240647Z",
"structure_string": "Li4 P2 N2 O4\n1.0\n0.000000 0.000000 -4.724073\n-4.515835 -2.695217 0.000000\n-4.515835 2.695217 0.000000\nLi P N O\n4 2 2 4\ndirect\n0.497804 0.007965 0.325193 Li\n0.497804 0.674808 0.992036 Li\n0.997804 0.992036 0.674808 Li\n0.997804 0.325193 0.007965 Li\n0.500243 0.344375 0.655626 P\n0.000243 0.655626 0.344375 P\n0.656098 0.615624 0.384377 N\n0.156098 0.384377 0.615624 N\n0.583525 0.332464 0.948406 O\n0.583525 0.051595 0.667537 O\n0.083525 0.667537 0.051595 O\n0.083525 0.948406 0.332464 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"P",
"N",
"O"
],
"chemical_system": "Li-N-O-P",
"density": 2.6240944303742504,
"density_atomic": 0.10435249754316743,
"volume": 114.99485189643849,
"volume_molar": 5.770959873297547,
"formula_full": "Li4 P2 N2 O4",
"formula_reduced": "Li2PNO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.314500958333333,
"spacegroup": 36
}
]
}