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=-nelements&page=109",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=107",
"results": [
{
"id": "jvasp-101953",
"created_at": "2022-09-04T14:36:48.809484Z",
"updated_at": "2022-09-04T14:36:48.809505Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.680895 0.011926 0.568592\n0.566254 4.596899 0.294179\n0.002448 0.189200 8.484860\nCd H C O\n1 6 5 4\ndirect\n0.684764 0.664970 0.205333 Cd\n0.173531 0.014901 0.471935 H\n0.540662 0.169811 0.520400 H\n0.309984 0.849813 0.741458 H\n0.445478 0.312671 0.847460 H\n0.854853 0.000652 0.737237 H\n0.982277 0.460050 0.848848 H\n0.050632 0.460922 0.498881 C\n0.244125 0.170576 0.550722 C\n0.136159 0.056566 0.723211 C\n0.165675 0.255197 0.856421 C\n0.064603 0.088537 0.014072 C\n0.156527 0.560128 0.348686 O\n0.785507 0.588499 0.581496 O\n0.800596 0.189736 0.118112 O\n0.218967 0.826042 0.035773 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.8089485988598932,
"density_atomic": 0.11160547270907845,
"volume": 143.36214534664566,
"volume_molar": 5.395918868331745,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.123850234374999,
"spacegroup": 1
},
{
"id": "jvasp-100467",
"created_at": "2022-09-04T14:36:34.832277Z",
"updated_at": "2022-09-04T14:36:34.832297Z",
"structure_string": "Li1 Fe2 Cl2 O2\n1.0\n3.429978 0.000000 0.000000\n0.000000 3.893071 0.000000\n0.000000 0.000000 8.052488\nLi Fe Cl O\n1 2 2 2\ndirect\n0.000000 0.500000 0.463749 Li\n0.500000 0.000000 0.062006 Fe\n0.000000 0.500000 0.902210 Fe\n0.000000 0.000000 0.303784 Cl\n0.500000 0.500000 0.659614 Cl\n0.000000 0.000000 0.918253 O\n0.500000 0.500000 0.050381 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-Li-O",
"density": 3.421206356804626,
"density_atomic": 0.06510049562988436,
"volume": 107.52606308555741,
"volume_molar": 9.250529818140953,
"formula_full": "Li1 Fe2 Cl2 O2",
"formula_reduced": "LiFe2(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.8679565907142852,
"spacegroup": 25
},
{
"id": "jvasp-99590",
"created_at": "2022-09-04T14:36:34.832128Z",
"updated_at": "2022-09-04T14:36:34.832159Z",
"structure_string": "Na2 Li1 As1 F6\n1.0\n4.909423 -0.000000 2.834456\n1.636474 4.628648 2.834456\n-0.000000 -0.000000 5.668913\nNa Li As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 As\n0.744930 0.255069 0.255070 F\n0.255069 0.255069 0.744931 F\n0.255068 0.744931 0.744932 F\n0.255068 0.744931 0.255070 F\n0.744930 0.255069 0.744932 F\n0.744930 0.744931 0.255070 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"As",
"F"
],
"chemical_system": "As-F-Li-Na",
"density": 3.1173062270392977,
"density_atomic": 0.07762750008364577,
"volume": 128.82032770892692,
"volume_molar": 7.757741462124863,
"formula_full": "Na2 Li1 As1 F6",
"formula_reduced": "Na2LiAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96458",
"created_at": "2022-09-04T14:36:17.766833Z",
"updated_at": "2022-09-04T14:36:17.766864Z",
"structure_string": "Pr2 Tl2 Mo4 O16\n1.0\n6.314938 0.000000 0.000000\n-0.000000 6.314938 0.000000\n0.000000 0.000000 9.675129\nPr Tl Mo O\n2 2 4 16\ndirect\n0.250000 0.250000 0.750000 Pr\n0.750000 0.750000 0.250000 Pr\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.750000 0.000000 Mo\n0.750000 0.250000 0.000000 Mo\n0.250000 0.750000 0.500000 Mo\n0.750000 0.250000 0.500000 Mo\n0.941779 0.368857 0.610616 O\n0.558221 0.131143 0.610616 O\n0.368857 0.941779 0.889384 O\n0.368857 0.558221 0.610616 O\n0.058221 0.631143 0.389384 O\n0.941779 0.131143 0.889384 O\n0.131143 0.558221 0.889384 O\n0.868857 0.441779 0.110616 O\n0.058221 0.868857 0.110616 O\n0.441779 0.631143 0.110616 O\n0.868857 0.058221 0.389384 O\n0.631143 0.441779 0.389384 O\n0.631143 0.058221 0.110616 O\n0.441779 0.868857 0.389384 O\n0.558221 0.368857 0.889384 O\n0.131143 0.941779 0.610616 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Pr-Tl",
"density": 5.7255114421267574,
"density_atomic": 0.06220371106868879,
"volume": 385.82907012570143,
"volume_molar": 9.681320706653688,
"formula_full": "Pr2 Tl2 Mo4 O16",
"formula_reduced": "PrTl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0817626875,
"spacegroup": 126
},
{
"id": "jvasp-29908",
"created_at": "2022-09-04T14:36:49.299623Z",
"updated_at": "2022-09-04T14:36:49.299646Z",
"structure_string": "Zr1 P2 H2 O6\n1.0\n5.461459 -0.000009 -0.000029\n-2.730737 4.729764 0.000084\n-0.000018 0.000066 5.390100\nZr P H O\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666669 0.333347 0.695685 P\n0.333330 0.666652 0.304314 P\n0.666664 0.333353 0.435592 H\n0.333336 0.666647 0.564407 H\n0.359966 0.141533 0.779696 O\n0.781572 0.640053 0.779682 O\n0.858479 0.218448 0.779678 O\n0.640033 0.858467 0.220303 O\n0.218427 0.359947 0.220317 O\n0.141521 0.781552 0.220321 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Zr",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Zr",
"density": 2.9956851901451165,
"density_atomic": 0.07900382654977711,
"volume": 139.23376221618005,
"volume_molar": 7.622593769183689,
"formula_full": "Zr1 P2 H2 O6",
"formula_reduced": "ZrP2(HO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.0830069545454544,
"spacegroup": 147
},
{
"id": "jvasp-45691",
"created_at": "2022-09-04T14:36:34.844326Z",
"updated_at": "2022-09-04T14:36:34.844352Z",
"structure_string": "Pr2 Zn2 Fe4 O12\n1.0\n0.000000 5.241352 0.000073\n5.405718 0.000000 0.000000\n0.000000 -5.241010 -7.486720\nPr Zn Fe O\n2 2 4 12\ndirect\n0.759375 0.286187 0.749999 Pr\n0.759375 0.713813 0.249999 Pr\n0.230204 0.768138 0.749997 Zn\n0.230204 0.231862 0.249997 Zn\n0.001285 0.757927 0.001135 Fe\n0.499005 0.757928 0.498861 Fe\n0.001285 0.242074 0.501135 Fe\n0.499005 0.242072 -0.001139 Fe\n0.854296 0.454502 0.053523 O\n0.185549 0.988132 0.450173 O\n0.785198 0.988134 0.049822 O\n0.317599 0.227370 0.749995 O\n0.620252 0.260997 0.249998 O\n0.185549 0.011868 0.950173 O\n0.854296 0.545498 0.553523 O\n0.785198 0.011867 0.549822 O\n0.247245 0.454501 0.446472 O\n0.317599 0.772630 0.249995 O\n0.247245 0.545500 0.946472 O\n0.620252 0.739003 0.749998 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Pr-Zn",
"density": 6.4818438402725835,
"density_atomic": 0.09428572085145259,
"volume": 212.12119734980925,
"volume_molar": 6.387118543101451,
"formula_full": "Pr2 Zn2 Fe4 O12",
"formula_reduced": "PrZn(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.372509225,
"spacegroup": 31
},
{
"id": "jvasp-104787",
"created_at": "2022-09-04T14:36:48.763451Z",
"updated_at": "2022-09-04T14:36:48.763486Z",
"structure_string": "K1 Ni1 I1 O6\n1.0\n5.022174 -0.000000 0.000000\n-2.511088 4.349330 0.000000\n-0.000000 0.000000 5.960783\nK Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Ni\n0.666666 0.333333 0.500000 I\n0.374345 0.995978 0.679821 O\n0.004022 0.378369 0.679821 O\n0.621630 0.625654 0.679821 O\n0.004022 0.625654 0.320179 O\n0.621630 0.995978 0.320179 O\n0.374346 0.378369 0.320179 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Ni",
"I",
"O"
],
"chemical_system": "I-K-Ni-O",
"density": 4.089974194846419,
"density_atomic": 0.06912339840982312,
"volume": 130.2019317198532,
"volume_molar": 8.71215955600961,
"formula_full": "K1 Ni1 I1 O6",
"formula_reduced": "KNiIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.7784697416666666,
"spacegroup": 149
},
{
"id": "jvasp-103918",
"created_at": "2022-09-04T14:36:40.889347Z",
"updated_at": "2022-09-04T14:36:40.889378Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n4.022180 -0.029251 0.630223\n1.945798 4.049325 0.650372\n-0.230859 -0.229248 9.914951\nZn H C O\n1 8 6 4\ndirect\n0.243229 0.085911 0.213176 Zn\n0.588322 0.225457 0.362519 H\n0.080216 0.240197 0.543389 H\n0.457847 0.748575 0.641383 H\n0.885724 0.300946 0.791176 H\n0.372108 0.777598 0.908183 H\n0.639241 -0.005479 0.890385 H\n0.736422 0.959713 0.627903 H\n0.173168 0.500147 0.778822 H\n0.806469 0.590001 0.036610 C\n0.658854 0.743888 0.901070 C\n0.884202 0.545587 0.779454 C\n0.101769 0.618190 0.409462 C\n0.985620 0.504827 0.528047 C\n0.744753 0.712283 0.641544 C\n0.027092 0.284396 0.041772 O\n0.001641 0.929690 0.365347 O\n0.364220 0.390345 0.316606 O\n0.724425 0.756354 0.141415 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.1350936641503337,
"density_atomic": 0.11659133316636458,
"volume": 162.96237022085367,
"volume_molar": 5.165170168701122,
"formula_full": "Zn1 H8 C6 O4",
"formula_reduced": "ZnH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.2764876,
"spacegroup": 1
},
{
"id": "jvasp-12568",
"created_at": "2022-09-04T14:36:48.349694Z",
"updated_at": "2022-09-04T14:36:48.349714Z",
"structure_string": "Sm1 H3 C3 O6\n1.0\n5.632428 -0.001978 -2.688223\n-4.261174 3.683293 -2.688223\n-0.000737 -0.001978 6.241057\nSm H C O\n1 3 3 6\ndirect\n0.836498 0.836497 0.836499 Sm\n0.987569 0.471528 0.471529 H\n0.471528 0.471528 0.987570 H\n0.471528 0.987569 0.471529 H\n0.228316 0.688903 0.228316 C\n0.688903 0.228316 0.228316 C\n0.228316 0.228316 0.688904 C\n0.501129 0.247533 0.247534 O\n0.951926 0.554052 0.951927 O\n0.951926 0.951925 0.554054 O\n0.247533 0.501129 0.247534 O\n0.247533 0.247533 0.501129 O\n0.554053 0.951925 0.951927 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Sm",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sm",
"density": 3.6636105775430092,
"density_atomic": 0.10049185043601944,
"volume": 129.36372395965347,
"volume_molar": 5.992665807098598,
"formula_full": "Sm1 H3 C3 O6",
"formula_reduced": "SmH3(CO2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 3.8338646057692314,
"spacegroup": 160
},
{
"id": "jvasp-102691",
"created_at": "2022-09-04T14:36:40.833843Z",
"updated_at": "2022-09-04T14:36:40.833866Z",
"structure_string": "Pr1 Tl2 In1 Te4\n1.0\n6.767197 0.046877 -2.083410\n-3.678699 5.680170 -2.083410\n-0.025280 -0.046877 7.080602\nPr Tl In Te\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 Pr\n0.500000 -0.000000 0.500000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.583390 0.970060 0.000000 Te\n0.970060 0.583390 0.000000 Te\n0.029940 0.029940 0.613329 Te\n0.416611 0.416611 0.386670 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Pr",
"Tl",
"In",
"Te"
],
"chemical_system": "In-Pr-Te-Tl",
"density": 7.1706708972510995,
"density_atomic": 0.029403744557378552,
"volume": 272.07419056402074,
"volume_molar": 20.48086340924496,
"formula_full": "Pr1 Tl2 In1 Te4",
"formula_reduced": "PrTl2InTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4353695108333334,
"spacegroup": 121
},
{
"id": "jvasp-101682",
"created_at": "2022-09-04T14:36:40.999687Z",
"updated_at": "2022-09-04T14:36:40.999696Z",
"structure_string": "Tl2 Fe1 Cu3 Te4\n1.0\n8.108590 -0.040981 0.000000\n-6.020346 5.431974 0.000000\n-0.000000 -0.000000 5.771965\nTl Fe Cu Te\n2 1 3 4\ndirect\n0.500000 0.000000 0.249527 Tl\n-0.000001 0.500000 0.750472 Tl\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.356813 0.134941 0.754351 Te\n0.865058 0.643186 0.245648 Te\n0.134941 0.356813 0.245648 Te\n0.643186 0.865058 0.754351 Te\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tl",
"Fe",
"Cu",
"Te"
],
"chemical_system": "Cu-Fe-Te-Tl",
"density": 7.656493603696291,
"density_atomic": 0.03955604001874391,
"volume": 252.80589248219562,
"volume_molar": 15.224326694852078,
"formula_full": "Tl2 Fe1 Cu3 Te4",
"formula_reduced": "Tl2FeCu3Te4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.5306853116666668,
"spacegroup": 21
},
{
"id": "jvasp-105589",
"created_at": "2022-09-04T14:36:49.532790Z",
"updated_at": "2022-09-04T14:36:49.532823Z",
"structure_string": "Li2 Mn1 Co1 O4\n1.0\n2.837287 -0.000483 -0.000268\n-0.001017 4.663060 1.690271\n-0.000566 -0.047274 4.955264\nLi Mn Co O\n2 1 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000001 0.499999 Mn\n-0.000001 0.500000 0.499999 Co\n0.000028 0.756630 0.724630 O\n0.999971 0.243372 0.275369 O\n0.499871 0.258076 0.721270 O\n0.500127 0.741926 0.278729 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.840007859559596,
"density_atomic": 0.12160450976839257,
"volume": 65.78703384633322,
"volume_molar": 4.952234725068786,
"formula_full": "Li2 Mn1 Co1 O4",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.478222767672414,
"spacegroup": 10
}
]
}