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=4196",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4194",
"results": [
{
"id": "jvasp-62415",
"created_at": "2022-09-04T14:35:52.340379Z",
"updated_at": "2022-09-04T14:35:52.340405Z",
"structure_string": "Ca2 B4 H16\n1.0\n-2.924649 2.924649 6.364967\n2.924649 -2.924649 6.364967\n2.924649 2.924649 -6.364967\nCa B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ca\n0.228192 0.228192 0.000000 B\n0.771808 0.771808 0.000000 B\n0.521808 0.021808 0.500000 B\n0.978192 0.478192 0.500000 B\n0.591882 0.077272 0.738325 H\n0.338947 0.853558 0.261675 H\n0.827272 0.841882 0.238325 H\n0.603558 0.588947 0.761675 H\n0.411053 0.172728 0.014610 H\n0.158118 0.396442 0.985390 H\n0.785411 0.320558 0.258360 H\n0.472951 0.214590 0.535149 H\n0.679442 0.937803 0.464852 H\n0.922729 0.661053 0.514610 H\n0.687802 0.929442 0.964852 H\n0.964590 0.722951 0.035149 H\n0.277049 0.312198 0.241640 H\n0.070558 0.035410 0.758360 H\n0.062198 0.527049 0.741640 H\n0.146442 0.408118 0.485390 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"B",
"H"
],
"chemical_system": "B-Ca-H",
"density": 1.0639073932284169,
"density_atomic": 0.1010227134156125,
"volume": 217.77280827422342,
"volume_molar": 5.961175023308483,
"formula_full": "Ca2 B4 H16",
"formula_reduced": "Ca(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.167617780606061,
"spacegroup": 122
},
{
"id": "jvasp-59143",
"created_at": "2022-09-04T14:38:11.928139Z",
"updated_at": "2022-09-04T14:38:11.928169Z",
"structure_string": "Hg8 O2 F12\n1.0\n3.930702 -6.808176 -0.000000\n3.930702 6.808176 0.000000\n-0.000000 0.000000 6.113729\nHg O F\n8 2 12\ndirect\n0.666667 0.333333 0.475669 Hg\n0.333333 0.666667 0.975669 Hg\n0.364050 0.182024 0.001069 Hg\n0.182024 0.364050 0.501069 Hg\n0.182024 0.817975 0.501069 Hg\n0.817975 0.182024 0.001069 Hg\n0.817975 0.635950 0.001069 Hg\n0.635950 0.817975 0.501069 Hg\n0.666667 0.333333 0.126222 O\n0.333333 0.666667 0.626222 O\n0.923406 0.461702 0.725340 F\n0.076593 0.538297 0.225340 F\n0.461702 0.538297 0.225340 F\n0.538297 0.076593 0.725340 F\n0.746369 0.873184 0.896594 F\n0.253631 0.126816 0.396594 F\n0.873184 0.126815 0.396594 F\n0.126815 0.873184 0.896594 F\n0.126816 0.253631 0.896594 F\n0.538297 0.461702 0.725340 F\n0.873184 0.746369 0.396594 F\n0.461702 0.923406 0.225340 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O",
"density": 9.462827217120678,
"density_atomic": 0.06723348250704356,
"volume": 327.2179155333092,
"volume_molar": 8.957056120615357,
"formula_full": "Hg8 O2 F12",
"formula_reduced": "Hg4OF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-59038",
"created_at": "2022-09-04T14:38:30.450535Z",
"updated_at": "2022-09-04T14:38:30.450559Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.313943 0.026095 -0.076156\n-0.146171 9.249209 0.020547\n-3.062022 -3.212645 10.285143\nNb Te Cl\n2 2 18\ndirect\n0.118796 0.255737 0.702407 Nb\n0.881203 0.744262 0.297593 Nb\n0.301380 0.322549 0.168134 Te\n0.698619 0.677450 0.831866 Te\n0.378717 0.143152 0.607309 Cl\n0.621283 0.856847 0.392691 Cl\n0.399747 0.302685 0.917481 Cl\n0.600253 0.697314 0.082518 Cl\n0.877962 0.392895 0.829556 Cl\n0.122037 0.607104 0.170443 Cl\n0.972759 0.035871 0.721214 Cl\n0.027241 0.964128 0.278786 Cl\n0.746564 0.490594 0.294587 Cl\n0.057481 0.804953 0.937795 Cl\n0.849862 0.245374 0.509575 Cl\n0.150137 0.754625 0.490425 Cl\n0.719046 0.639517 0.618748 Cl\n0.280954 0.360482 0.381252 Cl\n0.520285 0.902820 0.834617 Cl\n0.479714 0.097179 0.165382 Cl\n0.253436 0.509405 0.705412 Cl\n0.942518 0.195046 0.062204 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Cl"
],
"chemical_system": "Cl-Nb-Te",
"density": 2.992131796305705,
"density_atomic": 0.036733790321074676,
"volume": 598.9036200105465,
"volume_molar": 16.394008642623017,
"formula_full": "Nb2 Te2 Cl18",
"formula_reduced": "NbTeCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7158967067424241,
"spacegroup": 2
},
{
"id": "jvasp-44245",
"created_at": "2022-09-04T14:38:12.509999Z",
"updated_at": "2022-09-04T14:38:12.510022Z",
"structure_string": "Dy4 Mn4 O14\n1.0\n0.000000 4.976997 4.976997\n4.976997 0.000000 4.976997\n4.976997 4.976997 0.000000\nDy Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.921707 0.328294 0.921707 O\n0.625000 0.625000 0.625000 O\n0.328294 0.328294 0.921707 O\n0.921707 0.921707 0.328294 O\n0.328294 0.921707 0.328294 O\n0.671707 0.078294 0.671707 O\n0.078294 0.078294 0.671707 O\n0.375000 0.375000 0.375000 O\n0.671707 0.671707 0.078294 O\n0.078294 0.671707 0.671707 O\n0.921707 0.328294 0.328294 O\n0.671707 0.078294 0.078294 O\n0.078294 0.671707 0.078294 O\n0.328294 0.921707 0.921707 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"O"
],
"chemical_system": "Dy-Mn-O",
"density": 7.366014359832816,
"density_atomic": 0.0892258200791167,
"volume": 246.56539979674673,
"volume_molar": 6.74932520055311,
"formula_full": "Dy4 Mn4 O14",
"formula_reduced": "Dy2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8407083620689653,
"spacegroup": 227
},
{
"id": "jvasp-56646",
"created_at": "2022-09-04T14:38:28.275868Z",
"updated_at": "2022-09-04T14:38:28.275894Z",
"structure_string": "Na4 Fe2 Ni2 F14\n1.0\n6.268557 -0.000000 3.566828\n2.145128 6.049201 3.521806\n-0.016633 0.000589 7.321014\nNa Fe Ni F\n4 2 2 14\ndirect\n0.250166 0.495813 0.504187 Na\n0.750867 0.997069 0.501199 Na\n0.749835 0.495813 0.504187 Na\n0.249134 0.498801 0.002931 Na\n0.250086 0.997501 0.502327 Fe\n0.749915 0.497673 0.002499 Fe\n0.250098 0.997706 0.002294 Ni\n0.749903 0.997706 0.002294 Ni\n0.000000 0.893724 0.106276 F\n0.343771 0.671557 0.640901 F\n0.156098 0.323540 0.364265 F\n0.665552 0.315233 0.950935 F\n0.931720 0.049065 0.684767 F\n0.568209 0.946379 0.319785 F\n0.500001 0.101876 0.898123 F\n0.656230 0.359099 0.328443 F\n0.165628 0.946379 0.319785 F\n0.834374 0.680216 0.053621 F\n0.843903 0.635735 0.676460 F\n0.068281 0.315233 0.950935 F\n0.334449 0.049065 0.684767 F\n0.431792 0.680216 0.053621 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Fe",
"Ni",
"F"
],
"chemical_system": "F-Fe-Na-Ni",
"density": 3.5068127358119936,
"density_atomic": 0.07914765519359329,
"volume": 277.96148788221865,
"volume_molar": 7.60874184493525,
"formula_full": "Na4 Fe2 Ni2 F14",
"formula_reduced": "Na2FeNiF7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 0.0027452615909091,
"spacegroup": 74
},
{
"id": "jvasp-45901",
"created_at": "2022-09-04T14:38:07.287382Z",
"updated_at": "2022-09-04T14:38:07.287414Z",
"structure_string": "Li4 Co4 Sn2 O12\n1.0\n5.142150 -0.012633 -0.000000\n2.547113 4.426697 -0.000000\n-0.000000 -0.000000 9.829995\nLi Co Sn O\n4 4 2 12\ndirect\n0.500000 0.170643 0.750000 Li\n0.499999 0.329357 0.250000 Li\n0.499999 0.670644 0.750000 Li\n0.499999 0.829358 0.250000 Li\n0.328153 0.335923 0.000000 Co\n0.328152 0.835923 0.500000 Co\n0.671847 0.164078 0.500000 Co\n0.671846 0.664078 0.000000 Co\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.640650 0.354381 0.893955 O\n0.640650 0.004969 0.106045 O\n0.359349 0.645620 0.106045 O\n0.359349 0.495032 0.606046 O\n0.359349 0.145620 0.393955 O\n-0.000000 0.146283 0.602549 O\n0.359348 0.995034 0.893955 O\n-0.000001 0.646284 0.897452 O\n-0.000000 0.353717 0.102548 O\n0.640650 0.504968 0.393955 O\n-0.000001 0.853718 0.397452 O\n0.640650 0.854381 0.606046 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn",
"density": 5.1349277655745285,
"density_atomic": 0.09818188280251332,
"volume": 224.07392659449826,
"volume_molar": 6.133657848172619,
"formula_full": "Li4 Co4 Sn2 O12",
"formula_reduced": "Li2Co2SnO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.364874045454545,
"spacegroup": 64
},
{
"id": "jvasp-46780",
"created_at": "2022-09-04T14:38:07.157831Z",
"updated_at": "2022-09-04T14:38:07.157869Z",
"structure_string": "Li14 Sb4 S4\n1.0\n5.649114 0.040604 0.023592\n2.122624 8.537792 0.044453\n2.093309 3.363136 9.009261\nLi Sb S\n14 4 4\ndirect\n0.551516 0.438536 0.870336 Li\n0.448483 0.561464 0.129663 Li\n0.898492 0.741380 0.200887 Li\n0.442000 0.059472 0.120971 Li\n0.659889 0.110914 0.447128 Li\n0.205618 0.348188 0.480851 Li\n0.393390 0.745099 0.330281 Li\n0.925601 0.079185 0.127753 Li\n0.794381 0.651812 0.519148 Li\n0.340110 0.889086 0.552871 Li\n0.074398 0.920815 0.872246 Li\n0.557999 0.940528 0.879029 Li\n0.101507 0.258620 0.799112 Li\n0.606609 0.254901 0.669718 Li\n0.884125 0.632172 0.876561 Sb\n0.250489 0.568660 0.634254 Sb\n0.749510 0.431340 0.365745 Sb\n0.115874 0.367828 0.123438 Sb\n0.650644 0.923330 0.336554 S\n0.734453 0.151744 0.905399 S\n0.349355 0.076670 0.663446 S\n0.265546 0.848256 0.094600 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.7344914007531704,
"density_atomic": 0.050848848774382144,
"volume": 432.65482956388365,
"volume_molar": 11.843219473306894,
"formula_full": "Li14 Sb4 S4",
"formula_reduced": "Li7(SbS)2",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.2176602000000003,
"spacegroup": 2
},
{
"id": "jvasp-46790",
"created_at": "2022-09-04T14:38:07.149167Z",
"updated_at": "2022-09-04T14:38:07.149195Z",
"structure_string": "Li4 Ti2 Cr4 O12\n1.0\n5.090984 0.003029 0.000000\n-2.555784 4.402964 -0.000000\n0.000000 0.000000 9.987324\nLi Ti Cr O\n4 2 4 12\ndirect\n0.147994 0.647993 0.750000 Li\n0.352006 0.852005 0.250000 Li\n0.647994 0.147994 0.750000 Li\n0.852005 0.352006 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.163623 0.836376 0.500000 Cr\n0.336377 0.663622 0.000000 Cr\n0.663622 0.336377 0.000000 Cr\n0.836377 0.163623 0.500000 Cr\n0.505946 0.165724 0.392588 O\n0.828949 0.828949 0.398959 O\n0.334276 0.994053 0.892588 O\n0.671051 0.671050 0.898959 O\n0.328949 0.328949 0.101041 O\n0.005946 0.665724 0.107412 O\n0.494054 0.834275 0.607412 O\n0.165724 0.505946 0.392588 O\n0.994053 0.334276 0.892588 O\n0.834275 0.494054 0.607412 O\n0.171051 0.171051 0.601041 O\n0.665724 0.005946 0.107412 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.8814968635770883,
"density_atomic": 0.09823736646183573,
"volume": 223.94737147749973,
"volume_molar": 6.130193608497784,
"formula_full": "Li4 Ti2 Cr4 O12",
"formula_reduced": "Li2TiCr2O6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.996172193939393,
"spacegroup": 64
},
{
"id": "jvasp-30273",
"created_at": "2022-09-04T14:38:28.904967Z",
"updated_at": "2022-09-04T14:38:28.904981Z",
"structure_string": "Mn6 F16\n1.0\n6.387784 0.026243 0.000144\n3.216433 5.518968 -0.000144\n-0.000178 0.000307 8.545942\nMn F\n6 16\ndirect\n0.167949 0.167926 0.752478 Mn\n0.167973 0.666538 0.751542 Mn\n0.333462 0.832026 0.251542 Mn\n0.666559 0.167954 0.751534 Mn\n0.832046 0.333440 0.251534 Mn\n0.832074 0.832051 0.252478 Mn\n0.865472 0.293927 0.647593 F\n0.531628 0.955007 0.358038 F\n0.662661 0.662634 0.119175 F\n0.521194 0.521197 0.358594 F\n0.293974 0.865439 0.647594 F\n0.706073 0.134527 0.147593 F\n0.478802 0.478805 0.858594 F\n0.134561 0.706025 0.147594 F\n0.468384 0.045004 0.858035 F\n0.954996 0.531615 0.358035 F\n0.044992 0.468372 0.858038 F\n0.145829 0.145774 0.147192 F\n0.997933 0.997924 0.880792 F\n0.002076 0.002065 0.380792 F\n0.337365 0.337338 0.619175 F\n0.854225 0.854171 0.647192 F\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.500573272326752,
"density_atomic": 0.07319741130342766,
"volume": 300.55707720048554,
"volume_molar": 8.227259205979594,
"formula_full": "Mn6 F16",
"formula_reduced": "Mn3F8",
"formula_anonymous": "A3B8",
"energy_above_hull": 1.0513339985579933,
"spacegroup": 36
},
{
"id": "jvasp-46041",
"created_at": "2022-09-04T14:38:12.155923Z",
"updated_at": "2022-09-04T14:38:12.155950Z",
"structure_string": "Sr8 Br12 O2\n1.0\n9.631297 -0.000000 -0.000000\n-0.000000 9.631297 -0.000000\n0.000000 0.000000 7.246558\nSr Br O\n8 12 2\ndirect\n0.500000 0.732282 0.845766 Sr\n0.232282 0.000000 0.345766 Sr\n0.767719 0.000000 0.345766 Sr\n0.500000 0.267719 0.845766 Sr\n0.000000 0.232282 0.654234 Sr\n0.732282 0.500000 0.154234 Sr\n0.267719 0.500000 0.154234 Sr\n0.000000 0.767719 0.654234 Sr\n0.701115 0.701115 0.500000 Br\n0.298885 0.701115 0.500000 Br\n0.000000 0.500000 0.878768 Br\n0.000000 0.500000 0.378768 Br\n0.701115 0.298885 0.500000 Br\n0.298885 0.298885 0.500000 Br\n0.500000 0.000000 0.121232 Br\n0.798885 0.201115 0.000000 Br\n0.500000 0.000000 0.621233 Br\n0.798885 0.798885 0.000000 Br\n0.201115 0.798885 0.000000 Br\n0.201115 0.201115 0.000000 Br\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Br",
"O"
],
"chemical_system": "Br-O-Sr",
"density": 4.179251820730112,
"density_atomic": 0.03272814250313052,
"volume": 672.2043573935078,
"volume_molar": 18.40049663504114,
"formula_full": "Sr8 Br12 O2",
"formula_reduced": "Sr4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0094363636363636,
"spacegroup": 137
},
{
"id": "jvasp-59770",
"created_at": "2022-09-04T14:38:28.432463Z",
"updated_at": "2022-09-04T14:38:28.432483Z",
"structure_string": "Yb4 Ti4 O14\n1.0\n6.210402 0.000000 3.585577\n2.070134 5.855222 3.585577\n0.000000 0.000000 7.171154\nYb Ti O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 -0.000000 0.000000 Yb\n-0.000000 0.500000 0.000000 Yb\n-0.000000 -0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000001 Ti\n-0.000000 0.500000 0.500000 Ti\n0.500000 -0.000000 0.500000 Ti\n0.576274 0.173725 0.173726 O\n0.173725 0.173725 0.576275 O\n0.576274 0.576274 0.173726 O\n0.423725 0.826274 0.826275 O\n0.125000 0.125000 0.125000 O\n0.576274 0.173725 0.576275 O\n0.173725 0.576274 0.173726 O\n0.423725 0.826274 0.423726 O\n0.423725 0.423725 0.826275 O\n0.826274 0.826274 0.423726 O\n0.826274 0.423725 0.826275 O\n0.173725 0.576274 0.576275 O\n0.874999 0.875000 0.875001 O\n0.826274 0.423725 0.423726 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Yb",
"Ti",
"O"
],
"chemical_system": "O-Ti-Yb",
"density": 7.053222783475869,
"density_atomic": 0.08436660108082278,
"volume": 260.76669817389126,
"volume_molar": 7.1380625541982194,
"formula_full": "Yb4 Ti4 O14",
"formula_reduced": "Yb2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.248946596969697,
"spacegroup": 227
},
{
"id": "jvasp-34417",
"created_at": "2022-09-04T14:38:16.511390Z",
"updated_at": "2022-09-04T14:38:16.511409Z",
"structure_string": "Ba3 Si6 N4 O9\n1.0\n3.654241 -6.329331 0.000000\n3.654241 6.329331 -0.000000\n0.000000 -0.000000 6.838524\nBa Si N O\n3 6 4 9\ndirect\n0.333333 0.666667 0.690989 Ba\n0.000000 0.000000 0.557118 Ba\n0.666667 0.333333 0.748311 Ba\n0.926992 0.378098 0.256657 Si\n0.213534 0.253143 0.043941 Si\n0.746857 0.960391 0.043941 Si\n0.039609 0.786466 0.043941 Si\n0.451106 0.073008 0.256657 Si\n0.621902 0.548894 0.256657 Si\n0.868854 0.575194 0.192895 N\n0.706339 0.131146 0.192895 N\n0.424806 0.293661 0.192895 N\n0.000000 0.000000 0.094666 N\n0.118718 0.411432 0.102669 O\n0.292714 0.881282 0.102669 O\n0.280068 0.287498 0.815846 O\n0.712501 0.992570 0.815846 O\n0.390838 0.013827 0.483586 O\n0.007430 0.719931 0.815846 O\n0.986173 0.377012 0.483586 O\n0.622987 0.609161 0.483586 O\n0.588568 0.707286 0.102669 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Si",
"N",
"O"
],
"chemical_system": "Ba-N-O-Si",
"density": 4.097162682830391,
"density_atomic": 0.06954650591459337,
"volume": 316.3350870138194,
"volume_molar": 8.659156460563947,
"formula_full": "Ba3 Si6 N4 O9",
"formula_reduced": "Ba3Si6N4O9",
"formula_anonymous": "A3B4C6D9",
"energy_above_hull": 3.370708818636364,
"spacegroup": 143
}
]
}