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=density&page=1552",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1550",
"results": [
{
"id": "jvasp-104819",
"created_at": "2022-09-04T14:36:56.548571Z",
"updated_at": "2022-09-04T14:36:56.548595Z",
"structure_string": "Rb2 Al1 Ag1 F6\n1.0\n5.217107 -0.000000 3.012098\n1.739036 4.918736 3.012098\n-0.000000 -0.000000 6.024197\nRb Al Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750000 Rb\n0.000000 0.000000 0.000000 Al\n0.500001 0.500000 0.500000 Ag\n0.215038 0.215038 0.784963 F\n0.215038 0.784963 0.784963 F\n0.784963 0.784963 0.215037 F\n0.215038 0.784963 0.215037 F\n0.784963 0.215038 0.784963 F\n0.784963 0.215038 0.215038 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Ag",
"F"
],
"chemical_system": "Ag-Al-F-Rb",
"density": 4.509039384979651,
"density_atomic": 0.064687084410083,
"volume": 154.59036515860134,
"volume_molar": 9.309649391248971,
"formula_full": "Rb2 Al1 Ag1 F6",
"formula_reduced": "Rb2AlAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20127",
"created_at": "2022-09-04T14:38:27.773270Z",
"updated_at": "2022-09-04T14:38:27.773281Z",
"structure_string": "U2 Be26\n1.0\n6.217054 0.000000 3.589418\n2.072352 5.861495 3.589418\n0.000000 0.000000 7.178835\nU Be\n2 26\ndirect\n0.250000 0.250000 0.250000 U\n0.749999 0.750001 0.750001 U\n0.940221 0.708077 0.291924 Be\n0.208076 0.559778 0.440223 Be\n0.559777 0.440223 0.208077 Be\n0.440222 0.208077 0.559778 Be\n0.208076 0.440223 0.791924 Be\n0.208076 0.791924 0.559778 Be\n0.791923 0.440223 0.559779 Be\n0.291923 0.708077 0.059778 Be\n0.291923 0.940223 0.708077 Be\n0.940222 0.059778 0.708078 Be\n0.708076 0.059778 0.291924 Be\n0.059777 0.708077 0.940223 Be\n0.059777 0.291924 0.708077 Be\n0.940222 0.291924 0.059778 Be\n0.791923 0.559778 0.208077 Be\n0.559777 0.791924 0.440223 Be\n0.559777 0.208077 0.791924 Be\n0.440222 0.791924 0.208077 Be\n0.791923 0.208077 0.440223 Be\n0.440222 0.559778 0.791924 Be\n0.291923 0.059778 0.940223 Be\n0.499999 0.500000 0.500001 Be\n0.000000 0.000000 0.000000 Be\n0.708075 0.940223 0.059778 Be\n0.059777 0.940223 0.291924 Be\n0.708076 0.291924 0.940224 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"U",
"Be"
],
"chemical_system": "Be-U",
"density": 4.509096010479075,
"density_atomic": 0.10703135446434398,
"volume": 261.6055840845013,
"volume_molar": 5.62652018199601,
"formula_full": "U2 Be26",
"formula_reduced": "UBe13",
"formula_anonymous": "AB13",
"energy_above_hull": 2.6321810928571425,
"spacegroup": 226
},
{
"id": "jvasp-48823",
"created_at": "2022-09-04T14:35:54.753455Z",
"updated_at": "2022-09-04T14:35:54.753490Z",
"structure_string": "Fe4 O3 F5\n1.0\n-0.235987 4.793464 2.943041\n-0.235987 4.793464 -2.943041\n-4.793464 0.235987 -2.943041\nFe O F\n4 3 5\ndirect\n0.767905 0.722903 0.509192 Fe\n0.232095 0.258714 0.509191 Fe\n0.500000 0.528124 0.971875 Fe\n0.000000 0.989301 0.010699 Fe\n0.500000 0.821918 0.678082 O\n0.000000 0.287102 0.712898 O\n0.000000 0.695255 0.304745 O\n0.547711 0.249807 0.801868 F\n0.051676 0.745843 0.801868 F\n0.500000 0.205378 0.294622 F\n0.948324 0.249807 0.202482 F\n0.452289 0.745842 0.202482 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.5091832286567595,
"density_atomic": 0.08894261030755765,
"volume": 134.91845987547245,
"volume_molar": 6.770816304104227,
"formula_full": "Fe4 O3 F5",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.9069144927083328,
"spacegroup": 44
},
{
"id": "jvasp-85205",
"created_at": "2022-09-04T14:37:15.157735Z",
"updated_at": "2022-09-04T14:37:15.157757Z",
"structure_string": "Pd2 N4\n1.0\n2.882321 -0.000000 0.000000\n0.000000 4.997153 0.000000\n0.000000 0.000000 6.874135\nPd N\n2 4\ndirect\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.113844 0.500000 N\n0.500000 0.886156 0.500000 N\n0.000000 0.386156 0.000000 N\n-0.000000 0.613844 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 4.5092387070471,
"density_atomic": 0.06059938279548606,
"volume": 99.0109094056141,
"volume_molar": 9.937627220270267,
"formula_full": "Pd2 N4",
"formula_reduced": "PdN2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.6532007333333327,
"spacegroup": 71
},
{
"id": "jvasp-119144",
"created_at": "2022-09-04T14:38:35.495055Z",
"updated_at": "2022-09-04T14:38:35.495066Z",
"structure_string": "Sr2 Ca2 Ti4 O12\n1.0\n5.495092 0.000000 0.000000\n0.000000 5.522604 0.000000\n-0.000000 -0.000000 7.752269\nSr Ca Ti O\n2 2 4 12\ndirect\n0.252033 0.984309 0.500000 Sr\n0.747967 0.484310 0.500000 Sr\n0.244287 0.038409 -0.000000 Ca\n0.755713 0.538409 -0.000000 Ca\n0.253904 0.510445 0.755117 Ti\n0.746096 0.010446 0.244883 Ti\n0.253904 0.510445 0.244883 Ti\n0.746096 0.010446 0.755117 Ti\n0.679331 0.976887 -0.000000 O\n0.320669 0.476887 -0.000000 O\n0.968913 0.274443 0.789074 O\n0.031087 0.774443 0.210926 O\n0.528425 0.715742 0.272881 O\n0.968913 0.274443 0.210926 O\n0.528425 0.715742 0.727119 O\n0.471574 0.215742 0.272881 O\n0.202147 0.499128 0.500000 O\n0.031087 0.774443 0.789074 O\n0.471574 0.215742 0.727119 O\n0.797852 -0.000871 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Sr-Ti",
"density": 4.509256231804023,
"density_atomic": 0.08501240265491525,
"volume": 235.25979004716015,
"volume_molar": 7.083837854160227,
"formula_full": "Sr2 Ca2 Ti4 O12",
"formula_reduced": "SrCaTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1881014396666667,
"spacegroup": 26
},
{
"id": "jvasp-44437",
"created_at": "2022-09-04T14:38:08.572235Z",
"updated_at": "2022-09-04T14:38:08.572268Z",
"structure_string": "Li4 V3 Fe5 O16\n1.0\n5.594040 -0.056416 -0.036986\n2.726034 4.871071 -0.065302\n0.109758 0.016556 9.618277\nLi V Fe O\n4 3 5 16\ndirect\n0.664181 0.665744 0.898044 Li\n0.004205 0.001945 0.994117 Li\n0.009876 -0.001689 0.492655 Li\n0.332412 0.340644 0.390344 Li\n0.809804 0.815796 0.218306 V\n0.170006 0.638383 0.716056 V\n0.643325 0.166073 0.714274 V\n0.338584 0.333812 0.004033 Fe\n0.182235 0.178599 0.710884 Fe\n0.830530 0.348144 0.213358 Fe\n0.661066 0.653121 0.496244 Fe\n0.342187 0.835051 0.211680 Fe\n0.160431 0.677575 0.104996 O\n0.341132 0.335542 0.588222 O\n0.483643 0.031638 0.840622 O\n0.029515 0.484543 0.839931 O\n0.836103 0.830993 0.604011 O\n0.165592 0.163930 0.108669 O\n0.969287 0.522049 0.340487 O\n0.515830 0.527558 0.328930 O\n0.844553 0.318360 0.605885 O\n0.002642 0.001873 0.806314 O\n-0.002892 0.005177 0.306103 O\n0.663769 0.663262 0.094043 O\n0.484526 0.486036 0.831904 O\n0.325731 0.838265 0.605330 O\n0.512430 0.977932 0.336580 O\n0.678997 0.159945 0.105815 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.509320879841742,
"density_atomic": 0.1062248225015758,
"volume": 263.5918737316283,
"volume_molar": 5.669240595728616,
"formula_full": "Li4 V3 Fe5 O16",
"formula_reduced": "Li4V3Fe5O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.210088789285715,
"spacegroup": 1
},
{
"id": "jvasp-122012",
"created_at": "2022-09-04T14:38:53.603510Z",
"updated_at": "2022-09-04T14:38:53.603537Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.817996 0.071958 0.358569\n1.093191 7.385841 1.222430\n0.023921 -0.020669 11.102129\nLi Mn Co O\n8 2 4 14\ndirect\n0.776959 0.366577 0.079895 Li\n0.942999 0.779316 0.333701 Li\n0.068258 0.219114 0.644556 Li\n0.209015 0.634044 0.947834 Li\n0.357558 0.070259 0.214376 Li\n0.503516 0.498801 0.493556 Li\n0.640907 0.929352 0.789414 Li\n0.577011 0.702663 0.142983 Li\n0.000663 0.993420 0.005629 Mn\n0.286598 0.857431 0.569390 Mn\n0.713268 0.143858 0.429615 Co\n0.856889 0.572691 0.713546 Co\n0.141110 0.433443 0.284094 Co\n0.428131 0.287481 0.856404 Co\n0.884264 0.689363 0.542527 O\n0.403903 0.169075 0.022978 O\n0.545277 0.589560 0.319195 O\n0.686840 0.024617 0.601293 O\n0.833024 0.454650 0.878987 O\n0.962520 0.909590 0.165609 O\n0.117757 0.307218 0.456813 O\n0.259949 0.741976 0.737737 O\n0.179304 0.523519 0.117820 O\n0.311827 0.973672 0.403212 O\n0.452310 0.406973 0.688845 O\n0.598012 0.839445 0.965315 O\n0.736830 0.261097 0.265491 O\n0.025312 0.120795 0.829187 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509338249570783,
"density_atomic": 0.12163329421183601,
"volume": 230.2001288498799,
"volume_molar": 4.951062781800406,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5554138243842366,
"spacegroup": 8
},
{
"id": "jvasp-97633",
"created_at": "2022-09-04T14:35:56.581163Z",
"updated_at": "2022-09-04T14:35:56.581187Z",
"structure_string": "Nd8 Ge6 S24\n1.0\n10.453003 -0.005702 -4.830749\n-7.552491 7.226699 -4.830749\n-0.002290 -0.005702 11.515269\nNd Ge S\n8 6 24\ndirect\n0.475841 0.937585 0.713763 Nd\n0.975840 0.213763 0.437585 Nd\n0.998557 0.998558 0.998557 Nd\n0.213763 0.437585 0.975841 Nd\n0.713763 0.475841 0.937585 Nd\n0.937585 0.713763 0.475841 Nd\n0.437585 0.975841 0.213763 Nd\n0.498557 0.498557 0.498557 Nd\n0.143775 0.969084 0.355542 Ge\n0.855542 0.469085 0.643775 Ge\n0.969084 0.355542 0.143775 Ge\n0.643775 0.855542 0.469084 Ge\n0.469084 0.643775 0.855542 Ge\n0.355542 0.143775 0.969085 Ge\n0.685856 0.872548 0.688857 S\n0.814722 0.282311 0.884351 S\n0.782310 0.314722 0.384350 S\n0.384350 0.782310 0.314722 S\n0.314722 0.384351 0.782310 S\n0.585209 0.609676 0.295640 S\n0.688857 0.685856 0.872548 S\n0.795639 0.109676 0.085209 S\n0.185855 0.188857 0.372548 S\n0.295640 0.585209 0.609676 S\n0.633796 0.351197 0.086645 S\n0.586645 0.851197 0.133796 S\n0.085209 0.795640 0.109676 S\n0.282311 0.884351 0.814722 S\n0.351197 0.086645 0.633796 S\n0.133796 0.586645 0.851197 S\n0.109676 0.085209 0.795640 S\n0.188856 0.372548 0.185855 S\n0.884350 0.814722 0.282310 S\n0.872548 0.688857 0.685856 S\n0.086645 0.633796 0.351197 S\n0.609676 0.295640 0.585209 S\n0.851197 0.133797 0.586645 S\n0.372548 0.185856 0.188856 S\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"S"
],
"chemical_system": "Ge-Nd-S",
"density": 4.509404928992598,
"density_atomic": 0.043738505535176116,
"volume": 868.799688856287,
"volume_molar": 13.768510575096746,
"formula_full": "Nd8 Ge6 S24",
"formula_reduced": "Nd4(GeS4)3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.029797044736842,
"spacegroup": 161
},
{
"id": "jvasp-118991",
"created_at": "2022-09-04T14:38:52.409035Z",
"updated_at": "2022-09-04T14:38:52.409062Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.827432 0.035946 -0.187317\n-0.055301 4.978128 0.090787\n-0.346663 0.314301 16.380651\nLi Mn Co O\n8 2 4 14\ndirect\n0.925205 0.357853 0.850333 Li\n0.352072 0.228493 0.703645 Li\n0.784313 0.070256 0.567673 Li\n0.217209 0.924291 0.434338 Li\n0.646942 0.789647 0.294076 Li\n0.074188 0.638359 0.148858 Li\n0.500917 0.493495 0.002184 Li\n0.285125 0.573095 0.569976 Li\n0.000391 -0.002436 0.000992 Mn\n0.428183 0.852607 0.856803 Mn\n0.142996 0.287606 0.285849 Co\n0.571872 0.138732 0.143869 Co\n0.854603 0.714983 0.709492 Co\n0.716164 0.434097 0.431789 Co\n0.534564 0.837319 0.068857 O\n0.465658 0.156031 0.932051 O\n0.895941 0.011569 0.792763 O\n0.325299 0.877510 0.651322 O\n0.746528 0.733908 0.492569 O\n0.179221 0.577982 0.358452 O\n0.607650 0.433358 0.215674 O\n0.036580 0.291163 0.073763 O\n0.392816 0.564446 0.785528 O\n0.824189 0.416848 0.648425 O\n0.245916 0.269437 0.490789 O\n0.676045 0.143078 0.351461 O\n0.105521 -0.007440 0.210667 O\n0.963901 0.693727 0.927801 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509465616393132,
"density_atomic": 0.1216367297594304,
"volume": 230.19362700212005,
"volume_molar": 4.950922942363229,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5586745386699508,
"spacegroup": 8
},
{
"id": "jvasp-35831",
"created_at": "2022-09-04T14:37:29.082237Z",
"updated_at": "2022-09-04T14:37:29.082261Z",
"structure_string": "Ba2 Mg2 Sn2\n1.0\n4.940759 0.000000 0.000000\n0.000000 4.940759 0.000000\n0.000000 -0.000000 8.457488\nBa Mg Sn\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.639565 Mg\n0.000000 0.500000 0.360435 Mg\n0.500000 0.000000 0.301706 Sn\n0.000000 0.500000 0.698294 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sn"
],
"chemical_system": "Ba-Mg-Sn",
"density": 4.509605270320382,
"density_atomic": 0.02906180064274233,
"volume": 206.4565810549111,
"volume_molar": 20.72184319901707,
"formula_full": "Ba2 Mg2 Sn2",
"formula_reduced": "BaMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-112916",
"created_at": "2022-09-04T14:38:45.213340Z",
"updated_at": "2022-09-04T14:38:45.213376Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.817033 0.061830 0.367452\n1.108212 7.375255 1.277391\n-0.009234 -0.114600 11.097054\nLi Mn Co O\n8 2 4 14\ndirect\n0.772284 0.362865 0.093254 Li\n0.937015 0.775271 0.350376 Li\n0.069719 0.217033 0.643288 Li\n0.218085 0.633685 0.930110 Li\n0.352362 0.075098 0.220528 Li\n0.504148 0.510271 0.481315 Li\n0.648081 0.924265 0.779177 Li\n0.137456 0.439620 0.285826 Li\n0.001029 0.998168 -0.000269 Mn\n0.711999 0.151217 0.424626 Mn\n0.573889 0.709052 0.143338 Co\n0.858418 0.569056 0.714087 Co\n0.286069 0.856073 0.571730 Co\n0.428097 0.285357 0.858488 Co\n0.881658 0.689283 0.547725 O\n0.402380 0.166319 0.028511 O\n0.535402 0.619785 0.309445 O\n0.688431 0.023258 0.599453 O\n0.833925 0.449946 0.881915 O\n0.974927 0.885218 0.164671 O\n0.114817 0.304966 0.464884 O\n0.262160 0.736413 0.738900 O\n0.168829 0.554543 0.108322 O\n0.309272 0.976194 0.405527 O\n0.453050 0.401675 0.692525 O\n0.599686 0.833884 0.967069 O\n0.750055 0.235843 0.263942 O\n0.026753 0.115636 0.831234 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509619672236252,
"density_atomic": 0.12164088520722656,
"volume": 230.185763218505,
"volume_molar": 4.950753810892384,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.555177395812808,
"spacegroup": 8
},
{
"id": "jvasp-116091",
"created_at": "2022-09-04T14:38:30.239083Z",
"updated_at": "2022-09-04T14:38:30.239105Z",
"structure_string": "Y1 V1 F1\n1.0\n4.729206 -0.000000 -0.000000\n-2.364603 4.095613 0.000000\n0.000000 0.000000 3.019771\nY V F\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Y\n0.333334 0.666666 0.000000 V\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"V",
"F"
],
"chemical_system": "F-V-Y",
"density": 4.509657413062407,
"density_atomic": 0.051290874039352854,
"volume": 58.48993717085527,
"volume_molar": 11.741154489548222,
"formula_full": "Y1 V1 F1",
"formula_reduced": "YVF",
"formula_anonymous": "ABC",
"energy_above_hull": 2.041573310833333,
"spacegroup": 187
}
]
}