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=-created_at&page=1230",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1228",
"results": [
{
"id": "jvasp-64320",
"created_at": "2022-09-04T14:38:07.895096Z",
"updated_at": "2022-09-04T14:38:07.895123Z",
"structure_string": "Ba4 Ca1 V1\n1.0\n-0.000000 5.123557 5.123557\n5.123557 -0.000000 5.123557\n5.123557 5.123557 0.000000\nBa Ca V\n4 1 1\ndirect\n0.120515 0.626495 0.626495 Ba\n0.626495 0.626495 0.626495 Ba\n0.626495 0.120515 0.626495 Ba\n0.626495 0.626495 0.120515 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"V"
],
"chemical_system": "Ba-Ca-V",
"density": 3.9528154573338132,
"density_atomic": 0.02230522139742019,
"volume": 268.9953124918974,
"volume_molar": 26.998793926773207,
"formula_full": "Ba4 Ca1 V1",
"formula_reduced": "Ba4CaV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7098130833333333,
"spacegroup": 216
},
{
"id": "jvasp-46166",
"created_at": "2022-09-04T14:38:07.889118Z",
"updated_at": "2022-09-04T14:38:07.889150Z",
"structure_string": "V2 Co2 O8\n1.0\n-3.851045 4.049242 0.048167\n3.851045 0.048167 4.049242\n3.851045 4.049242 0.048167\nV Co O\n2 2 8\ndirect\n0.128262 0.250000 0.121738 V\n0.871737 0.750001 0.878262 V\n0.500000 0.000001 0.499999 Co\n-0.000001 0.500000 0.500001 Co\n0.765251 0.021447 0.256195 O\n0.746231 0.473469 0.280301 O\n0.253769 0.973468 0.272763 O\n0.222358 0.478554 0.256196 O\n0.777641 0.521447 0.743804 O\n0.746231 0.026533 0.727237 O\n0.253769 0.526532 0.719699 O\n0.234749 0.978554 0.743805 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 4.573144047569979,
"density_atomic": 0.09503567148431494,
"volume": 126.26837704809112,
"volume_molar": 6.336716167669651,
"formula_full": "V2 Co2 O8",
"formula_reduced": "VCoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8913215166666677,
"spacegroup": 74
},
{
"id": "jvasp-37192",
"created_at": "2022-09-04T14:38:07.887719Z",
"updated_at": "2022-09-04T14:38:07.887752Z",
"structure_string": "Mn2 Si1 Ni1\n1.0\n2.831259 2.831259 0.000000\n2.831259 0.000000 -2.831259\n-0.000000 2.831259 -2.831259\nMn Si Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Si\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ni"
],
"chemical_system": "Mn-Ni-Si",
"density": 7.194245817178587,
"density_atomic": 0.08812339008140661,
"volume": 45.39090014926662,
"volume_molar": 6.833759748049715,
"formula_full": "Mn2 Si1 Ni1",
"formula_reduced": "Mn2SiNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.109376370689655,
"spacegroup": 216
},
{
"id": "jvasp-45891",
"created_at": "2022-09-04T14:38:07.882152Z",
"updated_at": "2022-09-04T14:38:07.882177Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n5.003691 0.012395 0.013947\n-0.047986 5.313935 -0.003771\n0.007367 -0.064235 6.377099\nLi Fe Si O\n3 2 2 8\ndirect\n0.501893 0.176681 0.002317 Li\n0.005479 0.821332 0.501477 Li\n0.998777 0.342552 0.754176 Li\n0.005985 0.829645 0.017207 Fe\n0.501497 0.167351 0.500351 Fe\n0.009980 0.325715 0.252745 Si\n0.503419 0.678181 0.754769 Si\n0.894396 0.185685 0.035140 O\n0.333787 0.279253 0.253255 O\n0.934405 0.624263 0.254129 O\n0.891549 0.188932 0.469407 O\n0.394199 0.827575 0.547872 O\n0.836149 0.684905 0.761863 O\n0.400654 0.379838 0.746472 O\n0.385758 0.827647 0.961501 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.101226140982602,
"density_atomic": 0.08846185835401979,
"volume": 169.56460421587317,
"volume_molar": 6.807612763344519,
"formula_full": "Li3 Fe2 Si2 O8",
"formula_reduced": "Li3Fe2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.7067370800000004,
"spacegroup": 1
},
{
"id": "jvasp-30233",
"created_at": "2022-09-04T14:38:07.876341Z",
"updated_at": "2022-09-04T14:38:07.876359Z",
"structure_string": "Mn2 C4 O12\n1.0\n4.216599 0.000000 4.303042\n0.000000 7.561963 0.000000\n-2.203642 0.000000 4.318680\nMn C O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.122724 0.271280 0.773863 C\n0.377277 0.771280 0.726136 C\n0.622724 0.228720 0.273863 C\n0.877276 0.728719 0.226136 C\n0.803161 0.579424 0.353125 O\n0.696839 0.079425 0.146874 O\n0.552386 0.356500 0.147100 O\n0.609714 0.260819 0.541138 O\n0.390287 0.739180 0.458861 O\n0.196839 0.420575 0.646874 O\n0.303161 0.920575 0.853125 O\n0.947614 0.856500 0.352900 O\n0.052386 0.143500 0.647100 O\n0.109714 0.239180 0.041139 O\n0.447615 0.643499 0.852900 O\n0.890287 0.760819 0.958860 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"C",
"O"
],
"chemical_system": "C-Mn-O",
"density": 2.7746662085662437,
"density_atomic": 0.0859559017773786,
"volume": 209.40970460200722,
"volume_molar": 7.00608176457393,
"formula_full": "Mn2 C4 O12",
"formula_reduced": "Mn(CO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.9143686934865904,
"spacegroup": 14
},
{
"id": "jvasp-64989",
"created_at": "2022-09-04T14:38:07.869677Z",
"updated_at": "2022-09-04T14:38:07.869695Z",
"structure_string": "Mg1 Be2 Sb1\n1.0\n-1.932265 1.932265 4.383330\n1.932265 -1.932265 4.383330\n1.932265 1.932265 -4.383330\nMg Be Sb\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Sb"
],
"chemical_system": "Be-Mg-Sb",
"density": 4.162286738149974,
"density_atomic": 0.06110298929376711,
"volume": 65.46324568130458,
"volume_molar": 9.855722002481958,
"formula_full": "Mg1 Be2 Sb1",
"formula_reduced": "MgBe2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2281093375,
"spacegroup": 119
},
{
"id": "jvasp-30457",
"created_at": "2022-09-04T14:38:07.867374Z",
"updated_at": "2022-09-04T14:38:07.867404Z",
"structure_string": "V2 O2 F2\n1.0\n3.264646 0.000000 0.000000\n-1.632324 0.942422 7.030601\n1.632324 -2.827267 0.000000\nV O F\n2 2 2\ndirect\n0.606697 0.820087 0.606698 V\n0.393304 0.179913 0.393304 V\n0.296233 0.888695 0.296233 O\n0.703768 0.111304 0.703769 O\n0.113379 0.340139 0.113379 F\n0.886621 0.659861 0.886622 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.398205829270764,
"density_atomic": 0.09246042364167416,
"volume": 64.89262934001586,
"volume_molar": 6.513209136201357,
"formula_full": "V2 O2 F2",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1767959941666666,
"spacegroup": 166
},
{
"id": "jvasp-48312",
"created_at": "2022-09-04T14:38:07.865036Z",
"updated_at": "2022-09-04T14:38:07.865051Z",
"structure_string": "Li1 Mn2 F6\n1.0\n4.359874 0.030756 0.028479\n-0.055094 5.212425 0.011843\n-0.031554 -2.285252 4.685274\nLi Mn F\n1 2 6\ndirect\n0.006560 -0.000346 0.000278 Li\n0.505299 0.327280 0.676079 Mn\n0.505321 0.675535 0.327806 Mn\n0.261618 0.989564 0.329498 F\n0.749170 0.012962 0.673920 F\n0.261618 0.328995 -0.009835 F\n0.735889 0.361171 0.361669 F\n0.749192 0.673474 0.013490 F\n0.274350 0.642434 0.642973 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.595036225704465,
"density_atomic": 0.08442027230358334,
"volume": 106.60946422483859,
"volume_molar": 7.133524443446247,
"formula_full": "Li1 Mn2 F6",
"formula_reduced": "LiMn2F6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8006362419731801,
"spacegroup": 12
},
{
"id": "jvasp-46916",
"created_at": "2022-09-04T14:38:07.861292Z",
"updated_at": "2022-09-04T14:38:07.861304Z",
"structure_string": "Li2 V3 Co1 O8\n1.0\n-2.894101 1.670910 4.726046\n0.000000 3.341820 -4.726046\n-2.906032 -1.677799 -4.730917\nLi V Co O\n2 3 1 8\ndirect\n0.874821 0.125179 0.624462 Li\n0.125178 0.874821 0.375538 Li\n0.500000 0.500000 -0.000000 V\n0.500000 -0.000000 -0.000000 V\n-0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Co\n0.738630 0.715692 0.761570 O\n0.738631 0.261369 0.761570 O\n0.259706 0.740293 0.779120 O\n0.284308 0.261369 0.761570 O\n0.715692 0.738631 0.238430 O\n0.740293 0.259707 0.220880 O\n0.261369 0.738631 0.238430 O\n0.261369 0.284308 0.238430 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.269210020962283,
"density_atomic": 0.1017820856303534,
"volume": 137.5487632552985,
"volume_molar": 5.916700097766595,
"formula_full": "Li2 V3 Co1 O8",
"formula_reduced": "Li2V3CoO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.106413678571428,
"spacegroup": 166
},
{
"id": "jvasp-46477",
"created_at": "2022-09-04T14:38:07.857268Z",
"updated_at": "2022-09-04T14:38:07.857300Z",
"structure_string": "Li4 V2 B2 O8\n1.0\n4.630864 0.000000 0.000000\n0.000000 5.355729 0.000000\n0.000000 0.000000 5.837016\nLi V B O\n4 2 2 8\ndirect\n0.010508 0.659355 0.255130 Li\n0.510508 0.340646 0.244871 Li\n0.010508 0.659355 0.744871 Li\n0.510508 0.340646 0.755130 Li\n0.020966 0.141584 0.000000 V\n0.520966 0.858416 0.500000 V\n0.495923 0.823223 0.000000 B\n0.995923 0.176777 0.500000 B\n0.174510 0.819981 0.000000 O\n0.593141 0.093412 0.000000 O\n0.097222 0.308488 0.288764 O\n0.597221 0.691512 0.211236 O\n0.093141 0.906589 0.500000 O\n0.674509 0.180019 0.500000 O\n0.597221 0.691512 0.788764 O\n0.097222 0.308488 0.711237 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 3.2032649275288194,
"density_atomic": 0.11052193466583192,
"volume": 144.76764316854138,
"volume_molar": 5.448819529090054,
"formula_full": "Li4 V2 B2 O8",
"formula_reduced": "Li2VBO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.596025097916667,
"spacegroup": 31
},
{
"id": "jvasp-9497",
"created_at": "2022-09-04T14:38:07.857023Z",
"updated_at": "2022-09-04T14:38:07.857055Z",
"structure_string": "Mn2 Zn2 Si2 O10\n1.0\n5.155341 -0.061568 -0.045824\n-1.144134 5.231379 0.008713\n-1.915281 -2.394428 6.283152\nMn Zn Si O\n2 2 2 10\ndirect\n0.004250 0.494927 0.514556 Mn\n0.004245 0.494913 0.014557 Mn\n0.304203 0.171069 0.786959 Zn\n0.704310 0.818802 0.242135 Zn\n0.688971 0.830187 0.748960 Si\n0.319528 0.159647 0.280148 Si\n0.753463 0.693477 0.934857 O\n0.942930 0.838560 0.645714 O\n0.255012 0.296339 0.094239 O\n0.065584 0.151295 0.383406 O\n0.632463 0.297950 0.469016 O\n0.319676 0.841344 0.167722 O\n0.376041 0.691898 0.560088 O\n0.688816 0.148483 0.861399 O\n0.881494 0.533289 0.247698 O\n0.127003 0.456563 0.781414 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"Zn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si-Zn",
"density": 4.501333017427448,
"density_atomic": 0.09493574414098299,
"volume": 168.53504593843417,
"volume_molar": 6.343386060214479,
"formula_full": "Mn2 Zn2 Si2 O10",
"formula_reduced": "MnZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.332706717672414,
"spacegroup": 2
},
{
"id": "jvasp-47021",
"created_at": "2022-09-04T14:38:07.854899Z",
"updated_at": "2022-09-04T14:38:07.854929Z",
"structure_string": "Li2 V2 Si1 Ge1 O10\n1.0\n6.396969 0.041316 0.000000\n0.041316 6.396969 0.000000\n0.000000 0.000000 4.543102\nLi V Si Ge O\n2 2 1 1 10\ndirect\n0.011056 0.511056 0.000000 Li\n0.488945 0.988944 0.000000 Li\n0.250000 0.250000 0.612969 V\n0.750001 0.750001 0.387031 V\n0.250001 0.750000 0.500000 Si\n0.750000 0.250001 0.500000 Ge\n0.040262 0.745191 0.289734 O\n0.245191 0.540262 0.710266 O\n0.250000 0.250000 0.254796 O\n0.254810 0.959738 0.710266 O\n0.459739 0.754809 0.289734 O\n0.529637 0.241872 0.735856 O\n0.741871 0.029638 0.264143 O\n0.758129 0.470363 0.264143 O\n0.750001 0.750001 0.745203 O\n0.970363 0.258129 0.735856 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"V",
"Si",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Si-V",
"density": 3.3628952155672978,
"density_atomic": 0.08606709006623288,
"volume": 185.9014867086503,
"volume_molar": 6.997030752829758,
"formula_full": "Li2 V2 Si1 Ge1 O10",
"formula_reduced": "Li2V2SiGeO10",
"formula_anonymous": "ABC2D2E10",
"energy_above_hull": 2.826796121875,
"spacegroup": 21
}
]
}