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=3454",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3452",
"results": [
{
"id": "jvasp-120579",
"created_at": "2022-09-04T14:38:53.445506Z",
"updated_at": "2022-09-04T14:38:53.445540Z",
"structure_string": "Li3 Ti2 Co3 O10\n1.0\n4.754034 0.072129 1.387256\n0.511324 4.737071 1.482039\n0.116684 0.055318 7.633571\nLi Ti Co O\n3 2 3 10\ndirect\n0.513918 0.780110 0.397431 Li\n-0.000001 0.500000 0.500000 Li\n0.486079 0.219890 0.602570 Li\n-0.001421 0.869759 0.695595 Ti\n0.001419 0.130241 0.304406 Ti\n0.500000 0.000000 0.000000 Co\n0.977955 0.296345 0.904872 Co\n0.022043 0.703655 0.095129 Co\n0.218673 0.331917 0.050992 O\n0.746300 0.209637 0.774570 O\n0.792989 0.472684 0.328328 O\n0.207009 0.527316 0.671673 O\n0.227493 0.960425 0.874229 O\n0.781324 0.668083 0.949009 O\n0.774742 0.885440 0.528495 O\n0.225256 0.114561 0.471506 O\n0.253698 0.790363 0.225431 O\n0.772505 0.039576 0.125772 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.414687096581272,
"density_atomic": 0.10555751418977469,
"volume": 170.5231516501897,
"volume_molar": 5.705080122645938,
"formula_full": "Li3 Ti2 Co3 O10",
"formula_reduced": "Li3Ti2Co3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 2.9336519092592592,
"spacegroup": 2
},
{
"id": "jvasp-120578",
"created_at": "2022-09-04T14:38:46.406096Z",
"updated_at": "2022-09-04T14:38:46.406113Z",
"structure_string": "Rb1 Mn4 O8\n1.0\n5.151304 0.019932 4.871768\n4.321602 2.803583 4.871768\n0.076393 0.022770 9.815288\nRb Mn O\n1 4 8\ndirect\n0.500000 0.499999 0.000001 Rb\n0.348836 0.348836 0.485143 Mn\n0.166156 0.166156 0.182869 Mn\n0.833843 0.833842 0.817133 Mn\n0.651163 0.651162 0.514858 Mn\n0.541520 0.541519 0.291350 O\n0.154418 0.154418 0.643653 O\n0.167958 0.167958 0.373579 O\n0.201637 0.201637 0.953069 O\n0.798363 0.798361 0.046933 O\n0.832042 0.832040 0.626423 O\n0.845582 0.845580 0.356349 O\n0.458480 0.458480 0.708652 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 5.146451331610406,
"density_atomic": 0.09300332146118474,
"volume": 139.77995404632506,
"volume_molar": 6.475188913025394,
"formula_full": "Rb1 Mn4 O8",
"formula_reduced": "RbMn4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.187581305039788,
"spacegroup": 87
},
{
"id": "jvasp-120577",
"created_at": "2022-09-04T14:38:46.367292Z",
"updated_at": "2022-09-04T14:38:46.367319Z",
"structure_string": "Li2 P4 W2 O14\n1.0\n8.478305 0.000000 0.000000\n-0.000000 4.601045 1.642042\n-0.000000 0.012538 7.074897\nLi P W O\n2 4 2 14\ndirect\n0.888223 0.185827 0.329343 Li\n0.388223 0.814173 0.670657 Li\n0.461622 0.806987 0.076161 P\n0.068176 0.591214 0.532964 P\n0.568176 0.408785 0.467036 P\n0.961622 0.193013 0.923839 P\n0.245821 0.215701 0.271778 W\n0.745821 0.784299 0.728223 W\n0.544120 0.875532 0.873319 O\n0.931849 0.921968 0.869834 O\n0.712734 0.208538 0.506455 O\n0.412258 0.241673 0.487537 O\n0.563069 0.607313 0.594279 O\n0.063069 0.392687 0.405721 O\n0.044120 0.124467 0.126681 O\n0.212734 0.791462 0.493546 O\n0.431849 0.078032 0.130166 O\n0.090085 0.392579 0.764752 O\n0.590085 0.607421 0.235248 O\n0.311193 0.631623 0.080477 O\n0.912258 0.758326 0.512463 O\n0.811193 0.368376 0.919523 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.391702830664739,
"density_atomic": 0.07976489633480682,
"volume": 275.8105508926727,
"volume_molar": 7.549863457130995,
"formula_full": "Li2 P4 W2 O14",
"formula_reduced": "LiP2WO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.271224136363636,
"spacegroup": 4
},
{
"id": "jvasp-120576",
"created_at": "2022-09-04T14:38:46.320987Z",
"updated_at": "2022-09-04T14:38:46.321008Z",
"structure_string": "Cd2 Te2 Mo2 O12\n1.0\n5.314162 -0.000000 0.000000\n0.000000 5.314162 0.000000\n-0.000000 -0.000000 9.079614\nCd Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.763764 Te\n-0.000000 0.500000 0.236235 Te\n0.500000 0.000000 0.182863 Mo\n-0.000000 0.500000 0.817136 Mo\n0.818459 0.681540 0.933472 O\n0.305396 0.194604 0.626721 O\n0.283322 0.216677 0.284282 O\n0.694604 0.805396 0.626721 O\n0.216677 0.716677 0.715717 O\n0.194604 0.694604 0.373278 O\n0.805396 0.305396 0.373278 O\n0.181540 0.318460 0.933472 O\n0.318460 0.818459 0.066528 O\n0.681540 0.181540 0.066528 O\n0.783322 0.283322 0.715717 O\n0.716677 0.783322 0.284282 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cd",
"Te",
"Mo",
"O"
],
"chemical_system": "Cd-Mo-O-Te",
"density": 5.594650902324367,
"density_atomic": 0.07019974590343954,
"volume": 256.41118451851924,
"volume_molar": 8.578579142271419,
"formula_full": "Cd2 Te2 Mo2 O12",
"formula_reduced": "CdTeMoO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.374029379629629,
"spacegroup": 113
},
{
"id": "jvasp-120575",
"created_at": "2022-09-04T14:38:51.399522Z",
"updated_at": "2022-09-04T14:38:51.399533Z",
"structure_string": "Ca4 Mn2 Ga2 O10\n1.0\n5.069068 -0.000883 -1.706178\n-0.626163 5.244264 -1.863955\n-0.002048 -0.013092 8.378853\nCa Mn Ga O\n4 2 2 10\ndirect\n0.605791 0.135492 0.215830 Ca\n0.389981 0.864516 0.784185 Ca\n0.105792 0.580346 0.215827 Ca\n0.889981 0.419659 0.784185 Ca\n0.985639 -0.000000 -0.000003 Mn\n0.485641 0.500001 -0.000002 Mn\n0.279109 0.182343 0.500006 Ga\n0.779111 0.817659 0.500004 Ga\n0.223405 0.231061 0.971994 O\n0.251291 0.768815 0.028000 O\n0.089998 0.214775 0.283907 O\n0.806029 0.785217 0.716084 O\n0.634755 0.129967 0.500001 O\n0.306043 0.430850 0.716099 O\n0.134754 0.870041 0.500003 O\n0.723402 0.240925 0.971989 O\n0.589994 0.569151 0.283897 O\n0.751291 0.759190 0.028001 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ca-Ga-Mn-O",
"density": 4.249683648086998,
"density_atomic": 0.08087021765652354,
"volume": 222.57884944060118,
"volume_molar": 7.446673119611932,
"formula_full": "Ca4 Mn2 Ga2 O10",
"formula_reduced": "Ca2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6819286562643678,
"spacegroup": 46
},
{
"id": "jvasp-120572",
"created_at": "2022-09-04T14:38:52.559326Z",
"updated_at": "2022-09-04T14:38:52.559346Z",
"structure_string": "Yb4 Fe4 O12\n1.0\n5.168771 0.000000 0.000000\n0.000000 5.259405 0.000000\n-0.000000 -0.000000 7.357012\nYb Fe O\n4 4 12\ndirect\n0.010836 0.950212 0.750000 Yb\n0.510836 0.549787 0.250000 Yb\n0.489164 0.450212 0.750000 Yb\n0.989164 0.049787 0.250000 Yb\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.571391 0.010431 0.750000 O\n0.071391 0.489569 0.250000 O\n0.707913 0.291028 0.037282 O\n0.207914 0.208971 0.962717 O\n0.792086 0.791028 0.462717 O\n0.207914 0.208971 0.537282 O\n0.292086 0.708971 0.962717 O\n0.792086 0.791028 0.037282 O\n0.428609 0.989568 0.250000 O\n0.707913 0.291028 0.462717 O\n0.292086 0.708971 0.537282 O\n0.928609 0.510430 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Yb",
"density": 9.195605336490377,
"density_atomic": 0.10000106494162414,
"volume": 199.9978701394335,
"volume_molar": 6.022076628399347,
"formula_full": "Yb4 Fe4 O12",
"formula_reduced": "YbFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.60696934,
"spacegroup": 62
},
{
"id": "jvasp-120571",
"created_at": "2022-09-04T14:38:46.185630Z",
"updated_at": "2022-09-04T14:38:46.185660Z",
"structure_string": "Zr4 Cr4 O16\n1.0\n4.713025 -0.026130 0.001816\n0.063671 11.643426 -0.053256\n-0.001766 0.022665 4.893096\nZr Cr O\n4 4 16\ndirect\n-0.000019 0.170345 0.249990 Zr\n0.999979 0.829656 0.749968 Zr\n0.500027 0.670346 0.249995 Zr\n0.499979 0.329655 0.750028 Zr\n0.000027 0.565799 0.750029 Cr\n0.499991 0.065797 0.749964 Cr\n0.000008 0.434203 0.250036 Cr\n0.499982 0.934202 0.249977 Cr\n0.775002 0.552278 0.069524 O\n0.775008 0.447714 0.569528 O\n0.225023 0.552284 0.430530 O\n0.225031 0.447724 0.930534 O\n0.274982 0.947711 0.930478 O\n0.274969 0.052273 0.430482 O\n0.776907 0.315869 0.091359 O\n0.276910 0.815861 0.408636 O\n0.723107 0.815878 0.091340 O\n0.723082 0.184138 0.591345 O\n0.724989 0.052290 0.069474 O\n0.276886 0.184124 0.908645 O\n0.223101 0.684137 0.908657 O\n0.223100 0.315869 0.408660 O\n0.776908 0.684126 0.591357 O\n0.725001 0.947726 0.569469 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Zr",
"density": 5.12565347898542,
"density_atomic": 0.08937674749242275,
"volume": 268.5262182094363,
"volume_molar": 6.737927849198753,
"formula_full": "Zr4 Cr4 O16",
"formula_reduced": "ZrCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.993439316666667,
"spacegroup": 60
},
{
"id": "jvasp-120570",
"created_at": "2022-09-04T14:38:46.108456Z",
"updated_at": "2022-09-04T14:38:46.108481Z",
"structure_string": "Ba4 Co4 O12\n1.0\n5.684054 -0.000834 0.013814\n2.842708 4.922152 0.009343\n-0.024772 -0.005137 9.512067\nBa Co O\n4 4 12\ndirect\n0.333297 0.333358 0.500007 Ba\n0.333371 0.333292 -0.000001 Ba\n0.666655 0.666673 0.250009 Ba\n0.666663 0.666671 0.749998 Ba\n-0.000027 0.000023 0.625001 Co\n0.000032 -0.000032 0.874997 Co\n0.000023 -0.000026 0.125000 Co\n-0.000036 0.000028 0.374999 Co\n0.149185 0.701582 0.749976 O\n0.149208 0.701590 0.250009 O\n0.850836 0.298368 0.000002 O\n0.850763 0.298450 0.500009 O\n0.298453 0.850748 0.000018 O\n0.850837 0.850743 0.999968 O\n0.701582 0.149233 0.749994 O\n0.701576 0.149203 0.249965 O\n0.149188 0.149220 0.250028 O\n0.850736 0.850839 0.499975 O\n0.298373 0.850812 0.500019 O\n0.149227 0.149189 0.750025 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Co",
"O"
],
"chemical_system": "Ba-Co-O",
"density": 6.095801353508241,
"density_atomic": 0.07514536769250298,
"volume": 266.1508036242577,
"volume_molar": 8.01398801406199,
"formula_full": "Ba4 Co4 O12",
"formula_reduced": "BaCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.777859474,
"spacegroup": 194
},
{
"id": "jvasp-12057",
"created_at": "2022-09-04T14:36:54.706162Z",
"updated_at": "2022-09-04T14:36:54.706183Z",
"structure_string": "Zr1 Ti1 Te4\n1.0\n3.889366 0.000000 0.000000\n0.000000 6.660041 -0.003141\n0.000000 0.002984 6.748742\nZr Ti Te\n1 1 4\ndirect\n0.500000 -0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.741658 0.843549 Te\n0.500000 0.258342 0.156451 Te\n0.000000 0.731944 0.323297 Te\n0.000000 0.268055 0.676703 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Te"
],
"chemical_system": "Te-Ti-Zr",
"density": 6.169409566325359,
"density_atomic": 0.03432200245485265,
"volume": 174.81497496809612,
"volume_molar": 17.546006436895855,
"formula_full": "Zr1 Ti1 Te4",
"formula_reduced": "ZrTiTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.045522316666667,
"spacegroup": 10
},
{
"id": "jvasp-120568",
"created_at": "2022-09-04T14:38:46.040065Z",
"updated_at": "2022-09-04T14:38:46.040089Z",
"structure_string": "Li8 Cr4 O8\n1.0\n4.631364 0.084794 -0.861140\n-1.286175 6.528788 -0.061045\n0.081271 0.039900 6.653932\nLi Cr O\n8 4 8\ndirect\n0.749959 0.957805 0.542201 Li\n0.000037 0.707800 0.292195 Li\n0.500038 0.207799 0.792195 Li\n0.249959 0.457805 0.042201 Li\n0.000039 0.292195 0.707799 Li\n0.249961 0.042200 0.457804 Li\n0.749961 0.542201 0.957805 Li\n0.500039 0.792195 0.207800 Li\n0.749973 0.249988 0.249989 Cr\n0.000026 0.000010 0.000012 Cr\n0.500026 0.500010 0.500006 Cr\n0.249970 0.749994 0.749992 Cr\n0.625003 0.229132 0.520873 O\n0.875004 0.979134 0.270871 O\n0.375004 0.479131 0.770873 O\n0.125006 0.729132 0.020871 O\n0.124996 0.020867 0.729127 O\n0.374994 0.770866 0.479129 O\n0.874994 0.270866 0.979128 O\n0.624991 0.520867 0.229129 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.2114864252940847,
"density_atomic": 0.09879769030605638,
"volume": 202.43388218938944,
"volume_molar": 6.0954266656888,
"formula_full": "Li8 Cr4 O8",
"formula_reduced": "Li2CrO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.95928888,
"spacegroup": 71
},
{
"id": "jvasp-120566",
"created_at": "2022-09-04T14:38:53.391338Z",
"updated_at": "2022-09-04T14:38:53.391359Z",
"structure_string": "Na4 Ni4 O8\n1.0\n3.038800 -0.013279 -0.000080\n0.363519 5.049503 0.000122\n0.000223 -0.000260 10.435964\nNa Ni O\n4 4 8\ndirect\n0.480083 0.160057 0.249999 Na\n0.980081 0.660056 0.250000 Na\n0.019918 0.339943 0.749999 Na\n0.519918 0.839941 0.750000 Na\n0.500005 0.499996 0.499999 Ni\n-0.000003 0.000004 0.000000 Ni\n-0.000005 0.000004 0.500000 Ni\n0.500004 0.499996 0.000000 Ni\n0.967569 0.322540 0.402645 O\n0.467573 0.822544 0.402643 O\n0.532430 0.177456 0.597355 O\n0.032425 0.677458 0.597357 O\n0.532429 0.177458 0.902643 O\n0.032429 0.677455 0.902641 O\n0.967568 0.322542 0.097356 O\n0.467572 0.822543 0.097358 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 4.71390417228704,
"density_atomic": 0.09988494972163825,
"volume": 160.18429247438357,
"volume_molar": 6.029077230135917,
"formula_full": "Na4 Ni4 O8",
"formula_reduced": "NaNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9597771,
"spacegroup": 63
},
{
"id": "jvasp-120565",
"created_at": "2022-09-04T14:38:45.964279Z",
"updated_at": "2022-09-04T14:38:45.964296Z",
"structure_string": "Rb8 Co4 O12\n1.0\n6.550448 -0.004739 -3.227654\n3.437276 7.376772 -1.295790\n-0.010071 0.047148 8.240704\nRb Co O\n8 4 12\ndirect\n0.816965 0.208997 0.531032 Rb\n0.816959 0.709001 0.031040 Rb\n0.505072 0.959003 0.281027 Rb\n0.505072 0.458996 0.781025 Rb\n0.494930 0.531029 0.208998 Rb\n0.494921 0.031036 0.709003 Rb\n0.183043 0.281028 0.959000 Rb\n0.183039 0.781027 0.458993 Rb\n0.927844 0.119995 0.119996 Co\n0.072159 0.369997 0.369997 Co\n0.927838 0.619996 0.619997 Co\n0.072162 0.869996 0.869996 Co\n0.119707 0.625282 0.864724 O\n0.679378 0.119963 0.119968 O\n0.679370 0.619963 0.619968 O\n0.320627 0.369975 0.369969 O\n0.320631 0.869973 0.869970 O\n0.880292 0.114724 0.875281 O\n0.880299 0.614725 0.375285 O\n0.880258 0.864724 0.625282 O\n0.880247 0.364725 0.125282 O\n0.119748 0.875282 0.114725 O\n0.119755 0.375286 0.614727 O\n0.119699 0.125282 0.364726 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Co",
"O"
],
"chemical_system": "Co-O-Rb",
"density": 4.6376039265917495,
"density_atomic": 0.06030576674581084,
"volume": 397.9718905019505,
"volume_molar": 9.986011429691887,
"formula_full": "Rb8 Co4 O12",
"formula_reduced": "Rb2CoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3609335666666666,
"spacegroup": 63
}
]
}