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=nsites&page=3540",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3538",
"results": [
{
"id": "jvasp-59603",
"created_at": "2022-09-04T14:37:13.118835Z",
"updated_at": "2022-09-04T14:37:13.118859Z",
"structure_string": "Yb4 Mn2 Se8\n1.0\n6.965018 -0.000000 4.021255\n2.321673 6.566682 4.021255\n-0.000000 -0.000000 8.042510\nYb Mn Se\n4 2 8\ndirect\n0.500000 0.500000 0.500001 Yb\n0.500000 0.000000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 0.500000 0.000001 Yb\n0.875000 0.875000 0.875001 Mn\n0.125000 0.125000 0.125000 Mn\n0.244962 0.244962 0.765116 Se\n0.755038 0.755038 0.755039 Se\n0.755038 0.755038 0.234886 Se\n0.244962 0.765115 0.244963 Se\n0.244962 0.244962 0.244962 Se\n0.234884 0.755038 0.755039 Se\n0.755038 0.234885 0.755039 Se\n0.765116 0.244962 0.244962 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"Se"
],
"chemical_system": "Mn-Se-Yb",
"density": 6.472207291832401,
"density_atomic": 0.03805994860104807,
"volume": 367.84074899182804,
"volume_molar": 15.822776912090118,
"formula_full": "Yb4 Mn2 Se8",
"formula_reduced": "Yb2MnSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1789817297208542,
"spacegroup": 227
},
{
"id": "jvasp-12439",
"created_at": "2022-09-04T14:37:19.723740Z",
"updated_at": "2022-09-04T14:37:19.723769Z",
"structure_string": "Cr4 Cd2 Se8\n1.0\n6.630632 0.000000 3.828197\n2.210210 6.251420 3.828197\n0.000000 0.000000 7.656396\nCr Cd Se\n4 2 8\ndirect\n0.500000 -0.000000 0.500001 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500001 Cr\n0.500000 0.500000 0.000000 Cr\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875000 0.875001 Cd\n0.265167 0.265167 0.704501 Se\n0.734833 0.734833 0.734834 Se\n0.265167 0.265167 0.265167 Se\n0.734833 0.734833 0.295501 Se\n0.295500 0.734833 0.734834 Se\n0.734833 0.295500 0.734834 Se\n0.704500 0.265167 0.265168 Se\n0.265167 0.704500 0.265168 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"Se"
],
"chemical_system": "Cd-Cr-Se",
"density": 5.569692567310043,
"density_atomic": 0.044113350530923925,
"volume": 317.36424079113766,
"volume_molar": 13.651515215962606,
"formula_full": "Cr4 Cd2 Se8",
"formula_reduced": "Cr2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.081538288095238,
"spacegroup": 227
},
{
"id": "jvasp-13319",
"created_at": "2022-09-04T14:37:07.662665Z",
"updated_at": "2022-09-04T14:37:07.662699Z",
"structure_string": "Co4 Sn2 O8\n1.0\n6.155032 -0.082134 -0.109254\n3.006386 5.371481 -0.109254\n2.964601 1.711612 4.841172\nCo Sn O\n4 2 8\ndirect\n0.014324 0.014324 0.985676 Co\n0.235676 0.235676 0.264324 Co\n0.625000 0.625000 0.125001 Co\n0.625000 0.625000 0.625001 Co\n0.125000 0.625000 0.625000 Sn\n0.625000 0.125000 0.625000 Sn\n0.379879 0.379879 0.381369 O\n0.379880 0.379879 0.858872 O\n0.376028 0.847192 0.388391 O\n0.847192 0.376028 0.388391 O\n0.402808 0.873971 0.861611 O\n0.873971 0.402808 0.861611 O\n0.870120 0.870120 0.391129 O\n0.870120 0.870120 0.868631 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 6.101362094184735,
"density_atomic": 0.08557055439203032,
"volume": 163.60768139774845,
"volume_molar": 7.037632048531963,
"formula_full": "Co4 Sn2 O8",
"formula_reduced": "Co2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.545559642857143,
"spacegroup": 74
},
{
"id": "jvasp-52142",
"created_at": "2022-09-04T14:37:13.801835Z",
"updated_at": "2022-09-04T14:37:13.801856Z",
"structure_string": "Li3 Mn3 O8\n1.0\n5.785373 0.043928 0.031062\n2.930729 4.988316 0.031062\n2.930729 1.692058 4.692676\nLi Mn O\n3 3 8\ndirect\n0.004545 0.004545 0.004545 Li\n0.245455 0.245455 0.245455 Li\n0.624999 0.625001 0.625000 Li\n0.125000 0.625001 0.625000 Mn\n0.624999 0.125001 0.625000 Mn\n0.625000 0.625001 0.125000 Mn\n0.385580 0.385581 0.385580 O\n0.375482 0.375483 0.834742 O\n0.375482 0.834743 0.375482 O\n0.834741 0.375483 0.375482 O\n0.415257 0.874519 0.874518 O\n0.874517 0.874519 0.415258 O\n0.874517 0.415259 0.874518 O\n0.864419 0.864421 0.864420 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.880103152854771,
"density_atomic": 0.10430409957902037,
"volume": 134.22291220100755,
"volume_molar": 5.773637646368492,
"formula_full": "Li3 Mn3 O8",
"formula_reduced": "Li3Mn3O8",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 2.867483551724137,
"spacegroup": 166
},
{
"id": "jvasp-58076",
"created_at": "2022-09-04T14:37:32.304945Z",
"updated_at": "2022-09-04T14:37:32.304959Z",
"structure_string": "Sr3 Co2 Cu2 S2 O5\n1.0\n3.846203 -0.000000 -0.000000\n-0.000000 3.846203 -0.000000\n-1.923101 -1.923101 13.397702\nSr Co Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.638621 0.638621 0.277243 Sr\n0.361378 0.361378 0.722757 Sr\n0.069528 0.069528 0.139055 Co\n0.930472 0.930472 0.860945 Co\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.195635 0.195635 0.391270 S\n0.804364 0.804364 0.608729 S\n0.078524 0.578524 0.157048 O\n0.578524 0.078524 0.157048 O\n0.921475 0.421476 0.842951 O\n0.421476 0.921475 0.842951 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Co",
"Cu",
"S",
"O"
],
"chemical_system": "Co-Cu-O-S-Sr",
"density": 5.46217484569786,
"density_atomic": 0.07063717423179841,
"volume": 198.19592377886607,
"volume_molar": 8.525455364675448,
"formula_full": "Sr3 Co2 Cu2 S2 O5",
"formula_reduced": "Sr3Co2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy_above_hull": 1.633342795,
"spacegroup": 139
},
{
"id": "jvasp-11509",
"created_at": "2022-09-04T14:37:13.765799Z",
"updated_at": "2022-09-04T14:37:13.765811Z",
"structure_string": "Ba1 Ca1 Fe4 O8\n1.0\n2.736694 -4.740093 0.000000\n2.736694 4.740093 0.000000\n-0.000000 0.000000 7.727735\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.757370 Fe\n0.666666 0.333332 0.757370 Fe\n0.333332 0.666666 0.242631 Fe\n0.666666 0.333332 0.242631 Fe\n0.328043 0.328043 0.696352 O\n0.671956 -0.000000 0.696352 O\n-0.000000 0.671956 0.696352 O\n0.671956 0.671956 0.303649 O\n-0.000000 0.328043 0.303649 O\n0.328043 -0.000000 0.303649 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Fe",
"O"
],
"chemical_system": "Ba-Ca-Fe-O",
"density": 4.379544698236411,
"density_atomic": 0.06982850058540027,
"volume": 200.4912017676507,
"volume_molar": 8.624187415616808,
"formula_full": "Ba1 Ca1 Fe4 O8",
"formula_reduced": "BaCa(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.7224947421428567,
"spacegroup": 162
},
{
"id": "jvasp-13113",
"created_at": "2022-09-04T14:37:07.546719Z",
"updated_at": "2022-09-04T14:37:07.546739Z",
"structure_string": "Tl4 Zn2 I8\n1.0\n0.000000 7.809705 -0.064539\n8.062050 0.000000 0.000000\n0.000000 -2.829790 -8.781700\nTl Zn I\n4 2 8\ndirect\n0.250871 0.027492 0.563785 Tl\n0.749128 0.527492 0.436216 Tl\n0.236150 0.017090 0.058406 Tl\n0.763849 0.517090 0.941594 Tl\n0.784341 0.972001 0.198610 Zn\n0.215658 0.472001 0.801390 Zn\n0.034406 0.736319 0.266573 I\n0.965593 0.236319 0.733427 I\n0.975596 0.246611 0.250131 I\n0.024403 0.746611 0.749869 I\n0.410572 0.447314 0.612500 I\n0.589427 0.947314 0.387500 I\n0.405274 0.440505 0.089063 I\n0.594725 0.940505 0.910937 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"I"
],
"chemical_system": "I-Tl-Zn",
"density": 5.881465523638133,
"density_atomic": 0.025253079995472365,
"volume": 554.3878213077401,
"volume_molar": 23.847153539606698,
"formula_full": "Tl4 Zn2 I8",
"formula_reduced": "Tl2ZnI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 4
},
{
"id": "jvasp-9363",
"created_at": "2022-09-04T14:37:20.223125Z",
"updated_at": "2022-09-04T14:37:20.223155Z",
"structure_string": "Ba1 Zn1 Fe4 O8\n1.0\n2.689628 -4.658573 -0.000000\n2.689628 4.658573 -0.000000\n-0.000000 -0.000000 7.246895\nBa Zn Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.740883 Fe\n0.666667 0.333333 0.740883 Fe\n0.333333 0.666667 0.259118 Fe\n0.666667 0.333333 0.259118 Fe\n0.315330 0.315330 0.676863 O\n0.684670 0.000000 0.676863 O\n0.000000 0.684670 0.676863 O\n0.684671 0.684671 0.323138 O\n0.000000 0.315330 0.323138 O\n0.315330 0.000000 0.323138 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Zn",
"density": 5.06662706590097,
"density_atomic": 0.07709051528241262,
"volume": 181.60470128799295,
"volume_molar": 7.811779098814621,
"formula_full": "Ba1 Zn1 Fe4 O8",
"formula_reduced": "BaZn(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.642876883571428,
"spacegroup": 162
},
{
"id": "jvasp-10171",
"created_at": "2022-09-04T14:37:07.190302Z",
"updated_at": "2022-09-04T14:37:07.190323Z",
"structure_string": "Zn2 Bi4 O8\n1.0\n3.539047 -0.023707 -0.017502\n-1.728201 6.123957 0.106970\n-1.735892 -2.270444 9.969307\nZn Bi O\n2 4 8\ndirect\n0.359609 0.733558 0.239036 Zn\n0.620831 0.233377 0.739083 Zn\n0.666182 0.289355 0.076544 Bi\n0.707507 0.789255 0.576458 Bi\n0.272942 0.177687 0.401659 Bi\n0.314265 0.677582 0.901568 Bi\n0.679013 0.554315 0.762860 O\n0.646210 0.054510 0.262928 O\n0.334232 0.912426 0.715186 O\n0.301435 0.412623 0.215255 O\n0.107052 0.318439 0.904388 O\n0.123703 0.818520 0.404365 O\n0.873406 0.648498 0.073726 O\n0.856743 0.148416 0.573750 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zn",
"density": 8.405649183518793,
"density_atomic": 0.06473531636315154,
"volume": 216.26525962216573,
"volume_molar": 9.302713106733046,
"formula_full": "Zn2 Bi4 O8",
"formula_reduced": "Zn(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4128589999999996,
"spacegroup": 15
},
{
"id": "jvasp-11800",
"created_at": "2022-09-04T14:37:07.370685Z",
"updated_at": "2022-09-04T14:37:07.370716Z",
"structure_string": "Ba1 Mn1 V2 Ag2 O8\n1.0\n2.775925 -4.808043 -0.000000\n2.775925 4.808043 0.000000\n0.000000 -0.000000 7.326711\nBa Mn V Ag O\n1 1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mn\n0.333332 0.666666 0.251640 V\n0.666666 0.333332 0.748359 V\n0.666666 0.333332 0.312215 Ag\n0.333332 0.666666 0.687785 Ag\n0.333332 0.666666 0.019163 O\n0.666666 0.333332 0.980837 O\n0.079995 0.749359 0.323598 O\n0.669363 0.920003 0.323598 O\n0.250640 0.330635 0.323598 O\n0.920003 0.250640 0.676402 O\n0.749358 0.669363 0.676402 O\n0.330635 0.079995 0.676402 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-Mn-O-V",
"density": 5.41592589279954,
"density_atomic": 0.07158349647105323,
"volume": 195.5758057398228,
"volume_molar": 8.41275022439735,
"formula_full": "Ba1 Mn1 V2 Ag2 O8",
"formula_reduced": "BaMnV2(AgO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.6271660093842364,
"spacegroup": 147
},
{
"id": "jvasp-11648",
"created_at": "2022-09-04T14:37:07.186115Z",
"updated_at": "2022-09-04T14:37:07.186138Z",
"structure_string": "Al2 Ni4 O8\n1.0\n5.748562 -0.024022 -0.024721\n-0.026222 5.748532 0.024207\n-2.878403 -2.844617 4.082636\nAl Ni O\n2 4 8\ndirect\n0.000000 0.500000 0.000000 Al\n0.500001 0.500000 0.500001 Al\n0.374969 0.124962 0.750004 Ni\n0.625033 0.875038 0.249998 Ni\n0.000001 0.500000 0.500001 Ni\n0.000000 0.000000 0.000000 Ni\n0.755143 0.736574 0.518537 O\n0.218035 0.736607 0.981461 O\n0.758222 0.727512 0.969316 O\n0.244858 0.263426 0.481465 O\n0.241800 0.711093 0.469315 O\n0.781966 0.263393 0.018541 O\n0.758201 0.288908 0.530686 O\n0.241780 0.272488 0.030686 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ni-O",
"density": 5.129798671257522,
"density_atomic": 0.10378211967325189,
"volume": 134.89799634154386,
"volume_molar": 5.802676587219587,
"formula_full": "Al2 Ni4 O8",
"formula_reduced": "Al(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9359802285714285,
"spacegroup": 74
},
{
"id": "jvasp-10059",
"created_at": "2022-09-04T14:37:31.050819Z",
"updated_at": "2022-09-04T14:37:31.050851Z",
"structure_string": "Ca2 V4 O8\n1.0\n6.187346 -0.014755 -0.076323\n3.080895 5.365776 -0.076323\n3.027096 1.747695 4.943227\nCa V O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Ca\n0.625000 0.125000 0.625001 Ca\n0.994454 0.994454 0.005547 V\n0.255546 0.255546 0.244455 V\n0.625000 0.625000 0.125001 V\n0.625000 0.625000 0.625001 V\n0.390824 0.390825 0.338059 O\n0.395566 0.877144 0.363645 O\n0.390824 0.390825 0.880294 O\n0.877144 0.395567 0.363645 O\n0.372854 0.854433 0.886358 O\n0.854433 0.372855 0.886358 O\n0.859175 0.859175 0.369708 O\n0.859175 0.859176 0.911943 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.120586945741439,
"density_atomic": 0.08433893135200089,
"volume": 165.99688632013783,
"volume_molar": 7.140404393868488,
"formula_full": "Ca2 V4 O8",
"formula_reduced": "CaV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.556558974285714,
"spacegroup": 74
}
]
}