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=energy_above_hull&page=4418",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4416",
"results": [
{
"id": "jvasp-112047",
"created_at": "2022-09-04T14:38:42.089327Z",
"updated_at": "2022-09-04T14:38:42.089356Z",
"structure_string": "Ca2 H24 C16 O8\n1.0\n4.194802 -0.012818 0.104684\n0.368520 7.945648 0.937100\n0.059072 0.097604 12.175074\nCa H C O\n2 24 16 8\ndirect\n0.924373 0.495091 0.840984 Ca\n0.924373 -0.004908 0.840983 Ca\n0.816470 0.349115 0.463225 H\n0.818057 0.136285 0.521200 H\n0.818046 0.636285 0.521198 H\n0.267464 0.181780 0.602611 H\n0.267457 0.681780 0.602612 H\n0.265156 0.895617 0.549311 H\n0.265165 0.395617 0.549310 H\n0.322287 0.301055 0.355760 H\n0.322273 0.801055 0.355759 H\n0.348597 0.087948 0.411348 H\n0.348577 0.587949 0.411348 H\n0.816457 0.849114 0.463222 H\n0.861189 0.769662 0.262148 H\n0.861198 0.269667 0.262147 H\n0.447891 0.836988 0.115430 H\n0.149336 0.689661 0.110256 H\n0.149343 0.189646 0.110259 H\n0.416828 0.487772 0.231345 H\n0.447883 0.336983 0.115432 H\n0.776977 0.015423 0.155904 H\n0.776956 0.515423 0.155904 H\n0.905644 0.563645 0.330062 H\n0.905667 0.063652 0.330061 H\n0.416854 0.987769 0.231349 H\n0.493150 0.198265 0.386061 C\n0.406343 0.206271 0.106277 C\n0.406337 0.706277 0.106275 C\n0.582402 0.083768 0.196514 C\n0.582382 0.583769 0.196512 C\n0.727160 0.157803 0.293243 C\n0.727142 0.657800 0.293243 C\n0.493134 0.698265 0.386062 C\n0.423702 0.287378 0.578782 C\n0.660375 0.743300 0.487920 C\n0.423694 0.787378 0.578781 C\n0.534295 0.174901 0.992748 C\n0.534289 0.674903 0.992748 C\n0.567620 0.322590 0.685758 C\n0.567614 0.822590 0.685757 C\n0.660388 0.243299 0.487920 C\n0.426854 0.930350 0.741913 O\n0.828427 0.745655 0.717938 O\n0.828432 0.245655 0.717939 O\n0.403694 0.570725 0.938606 O\n0.403698 0.070727 0.938605 O\n0.793597 0.744098 0.957268 O\n0.793603 0.244098 0.957270 O\n0.426854 0.430350 0.741914 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 1.7387062631140675,
"density_atomic": 0.12332643343073638,
"volume": 405.42808714306506,
"volume_molar": 4.883090017666168,
"formula_full": "Ca2 H24 C16 O8",
"formula_reduced": "CaH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.4895313768,
"spacegroup": 1
},
{
"id": "jvasp-107352",
"created_at": "2022-09-04T14:36:55.359452Z",
"updated_at": "2022-09-04T14:36:55.359483Z",
"structure_string": "Cr2 B4 Ru2\n1.0\n2.903734 -0.000000 0.000000\n0.000000 4.312322 0.000000\n0.000000 -0.000000 5.846829\nCr B Ru\n2 4 2\ndirect\n-0.000000 0.129628 0.683596 Cr\n-0.000000 0.870372 0.183596 Cr\n-0.000000 0.654021 0.528839 B\n-0.000000 0.345978 0.028839 B\n0.499999 0.868615 0.465570 B\n0.499999 0.131385 0.965570 B\n0.499999 0.362987 0.321995 Ru\n0.499999 0.637012 0.821996 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"B",
"Ru"
],
"chemical_system": "B-Cr-Ru",
"density": 7.92417412568509,
"density_atomic": 0.1092701609511277,
"volume": 73.21303391854698,
"volume_molar": 5.511239946551804,
"formula_full": "Cr2 B4 Ru2",
"formula_reduced": "CrB2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.490418266666667,
"spacegroup": 26
},
{
"id": "jvasp-36573",
"created_at": "2022-09-04T14:37:30.468418Z",
"updated_at": "2022-09-04T14:37:30.468449Z",
"structure_string": "Cr3 N6\n1.0\n2.081006 -3.604407 0.000000\n2.081005 3.604408 -0.000000\n0.000000 -0.000000 4.637118\nCr N\n3 6\ndirect\n0.357744 0.388518 0.001635 Cr\n0.030773 0.642255 0.334968 Cr\n0.611482 0.969226 0.668302 Cr\n0.189433 0.348184 0.579928 N\n0.158749 0.810566 0.913261 N\n0.651816 0.841250 0.246594 N\n0.337601 0.188223 0.418471 N\n0.811778 0.149378 0.085138 N\n0.850623 0.662400 0.751805 N\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 5.729630991086942,
"density_atomic": 0.12937705276163933,
"volume": 69.56411363444296,
"volume_molar": 4.654720935013897,
"formula_full": "Cr3 N6",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.490531299999999,
"spacegroup": 145
},
{
"id": "jvasp-20199",
"created_at": "2022-09-04T14:37:49.945224Z",
"updated_at": "2022-09-04T14:37:49.945258Z",
"structure_string": "Nd8 C12\n1.0\n7.035394 0.000000 -2.487387\n-3.517697 6.092830 -2.487387\n-0.000000 -0.000000 7.462162\nNd C\n8 12\ndirect\n0.103979 0.103979 0.103979 Nd\n-0.000000 0.896021 0.499999 Nd\n0.500000 0.000000 0.896021 Nd\n-0.000000 0.396021 0.500000 Nd\n0.500000 0.000000 0.396021 Nd\n0.396021 0.500000 -0.000000 Nd\n0.603978 0.603979 0.603978 Nd\n0.896020 0.500000 -0.000001 Nd\n0.798278 0.048279 0.749999 C\n0.048279 0.750000 0.798278 C\n0.749999 0.798279 0.048278 C\n0.701720 0.451721 0.249999 C\n0.250000 0.701721 0.451720 C\n0.951720 0.201721 0.749999 C\n0.201721 0.750000 0.951720 C\n0.548278 0.298279 0.249999 C\n0.298279 0.250000 0.548278 C\n0.749999 0.951721 0.201720 C\n0.250000 0.548279 0.298278 C\n0.451721 0.250000 0.701720 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Nd",
"C"
],
"chemical_system": "C-Nd",
"density": 6.738654326315823,
"density_atomic": 0.06252559564853767,
"volume": 319.8690039263585,
"volume_molar": 9.631480832027618,
"formula_full": "Nd8 C12",
"formula_reduced": "Nd2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.4916226,
"spacegroup": 220
},
{
"id": "jvasp-36553",
"created_at": "2022-09-04T14:37:28.324395Z",
"updated_at": "2022-09-04T14:37:28.324415Z",
"structure_string": "Cr2 N4\n1.0\n-3.981318 -3.981318 -0.000000\n-3.981318 0.000000 -3.981318\n0.000000 -3.981318 -3.981318\nCr N\n2 4\ndirect\n0.750000 0.750000 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.375000 0.875000 0.875000 N\n0.875000 0.375000 0.875000 N\n0.875000 0.875000 0.375000 N\n0.875000 0.875000 0.875000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 2.1052809063447158,
"density_atomic": 0.04753797222228462,
"volume": 126.21489137030017,
"volume_molar": 12.668064030667614,
"formula_full": "Cr2 N4",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.492014633333332,
"spacegroup": 227
},
{
"id": "jvasp-102592",
"created_at": "2022-09-04T14:36:41.572531Z",
"updated_at": "2022-09-04T14:36:41.572547Z",
"structure_string": "Zr2 Tc1 Ru1\n1.0\n4.008104 -0.000000 2.314080\n1.336035 3.778876 2.314080\n-0.000000 -0.000000 4.628160\nZr Tc Ru\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Zr\n0.749998 0.750001 0.750001 Zr\n0.000000 0.000000 0.000000 Tc\n0.499999 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ru"
],
"chemical_system": "Ru-Tc-Zr",
"density": 9.037621369935541,
"density_atomic": 0.05706239605381059,
"volume": 70.09870381587109,
"volume_molar": 10.55360653681812,
"formula_full": "Zr2 Tc1 Ru1",
"formula_reduced": "Zr2TcRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.49231025,
"spacegroup": 225
},
{
"id": "jvasp-15962",
"created_at": "2022-09-04T14:38:30.202598Z",
"updated_at": "2022-09-04T14:38:30.202633Z",
"structure_string": "Sc2 B1 C2\n1.0\n3.198122 -0.000000 -0.951377\n-0.283015 3.185575 -0.951377\n-0.007574 -0.008276 5.825589\nSc B C\n2 1 2\ndirect\n0.652101 0.652101 0.304204 Sc\n0.347897 0.347896 0.695794 Sc\n0.000000 0.000000 0.000000 B\n0.861421 0.861420 0.722843 C\n0.138578 0.138578 0.277155 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"B",
"C"
],
"chemical_system": "B-C-Sc",
"density": 3.4931362883826726,
"density_atomic": 0.08431716417496835,
"volume": 59.299907070218744,
"volume_molar": 7.14224774863553,
"formula_full": "Sc2 B1 C2",
"formula_reduced": "Sc2BC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.492482616666667,
"spacegroup": 139
},
{
"id": "jvasp-29018",
"created_at": "2022-09-04T14:37:48.255012Z",
"updated_at": "2022-09-04T14:37:48.255029Z",
"structure_string": "Mo1 W3 S8\n1.0\n3.192974 -0.000000 0.000000\n-1.596488 2.765186 -0.000340\n0.000000 -0.003610 32.331304\nMo W S\n1 3 8\ndirect\n0.666236 0.332476 0.278893 Mo\n0.333242 0.666485 0.085386 W\n0.333700 0.667401 0.472092 W\n0.666821 0.333644 0.666545 W\n0.332976 0.665956 0.327332 S\n0.333586 0.667175 0.715236 S\n0.666554 0.333108 0.036697 S\n0.666969 0.333939 0.423362 S\n0.666638 0.333279 0.134117 S\n0.667068 0.334137 0.520829 S\n0.332835 0.665672 0.230451 S\n0.333367 0.666736 0.617810 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-W",
"density": 5.258537469865501,
"density_atomic": 0.04203763735419983,
"volume": 285.45847852700797,
"volume_molar": 14.32559282354233,
"formula_full": "Mo1 W3 S8",
"formula_reduced": "MoW3S8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 4.493335491666668,
"spacegroup": 156
},
{
"id": "jvasp-19834",
"created_at": "2022-09-04T14:36:59.498892Z",
"updated_at": "2022-09-04T14:36:59.498908Z",
"structure_string": "Nb6 Al2\n1.0\n5.216911 -0.000000 0.000000\n-0.000000 5.216911 0.000000\n0.000000 -0.000000 5.216911\nNb Al\n6 2\ndirect\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.750000 0.000000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Al"
],
"chemical_system": "Al-Nb",
"density": 7.150480269429586,
"density_atomic": 0.056344263148114214,
"volume": 141.98428647420783,
"volume_molar": 10.688116985698047,
"formula_full": "Nb6 Al2",
"formula_reduced": "Nb3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 4.4933552500000005,
"spacegroup": 223
},
{
"id": "jvasp-11981",
"created_at": "2022-09-04T14:36:52.854369Z",
"updated_at": "2022-09-04T14:36:52.854405Z",
"structure_string": "Nb6 Al2\n1.0\n5.216911 0.000000 -0.000000\n0.000000 5.216911 -0.000000\n-0.000000 -0.000000 5.216911\nNb Al\n6 2\ndirect\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.750000 0.000000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Al"
],
"chemical_system": "Al-Nb",
"density": 7.150480269429586,
"density_atomic": 0.056344263148114214,
"volume": 141.98428647420783,
"volume_molar": 10.688116985698047,
"formula_full": "Nb6 Al2",
"formula_reduced": "Nb3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 4.4933552500000005,
"spacegroup": 223
},
{
"id": "jvasp-121985",
"created_at": "2022-09-04T14:38:54.402238Z",
"updated_at": "2022-09-04T14:38:54.402264Z",
"structure_string": "Pr1 Co12 B6\n1.0\n5.800155 -0.005697 -1.446677\n-1.850520 5.497036 -1.446677\n-0.004098 -0.005697 5.977848\nPr Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.187455 0.458423 0.458423 Co\n0.458423 0.458423 0.187455 Co\n0.458422 0.187455 0.458423 Co\n0.541576 0.541577 0.812544 Co\n0.541576 0.812545 0.541577 Co\n0.812544 0.541577 0.541576 Co\n0.133472 0.500000 0.866527 Co\n0.500000 0.866527 0.133472 Co\n0.866526 0.500000 0.133472 Co\n0.499999 0.133472 0.866527 Co\n0.133473 0.866527 0.500000 Co\n0.866526 0.133472 0.499999 Co\n0.230784 0.230784 0.671210 B\n0.769214 0.328789 0.769215 B\n0.769215 0.769215 0.328789 B\n0.328789 0.769215 0.769215 B\n0.230785 0.671211 0.230784 B\n0.671210 0.230784 0.230784 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Pr",
"Co",
"B"
],
"chemical_system": "B-Co-Pr",
"density": 7.960773472895429,
"density_atomic": 0.09977053843103509,
"volume": 190.43697968146648,
"volume_molar": 6.035991039742375,
"formula_full": "Pr1 Co12 B6",
"formula_reduced": "Pr(Co2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 4.493359271052632,
"spacegroup": 166
},
{
"id": "jvasp-103927",
"created_at": "2022-09-04T14:36:40.651475Z",
"updated_at": "2022-09-04T14:36:40.651498Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.400044 0.026141 -0.398942\n2.131328 4.367010 0.426338\n0.020921 -0.153837 11.878440\nZn H C O\n1 14 9 4\ndirect\n0.649149 0.067287 0.836342 Zn\n0.147701 0.786205 0.433168 H\n0.809626 0.211050 0.209186 H\n0.485058 0.141282 0.139670 H\n0.556545 0.272746 0.391769 H\n0.220833 0.203593 0.331574 H\n0.805963 0.734764 0.367136 H\n0.285547 0.321695 0.578636 H\n0.815366 0.332291 0.012046 H\n0.612440 0.694501 0.062566 H\n0.375666 0.731656 0.242509 H\n0.050261 0.652853 0.180387 H\n0.933196 0.833866 0.631210 H\n0.572660 0.856108 0.549064 H\n0.926264 0.294490 0.513821 H\n0.281153 0.575448 0.958434 C\n0.588207 0.485996 0.046151 C\n0.556824 0.325009 0.158508 C\n0.306239 0.543447 0.228879 C\n0.032473 0.456551 0.530102 C\n0.060435 0.610288 0.416735 C\n0.811303 0.692718 0.601785 C\n0.704378 0.569054 0.703904 C\n0.298440 0.387120 0.344578 C\n0.260961 0.381346 0.895287 O\n0.547634 0.749899 0.773836 O\n0.759578 0.288510 0.712426 O\n0.040877 0.844761 0.955911 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.8322091029294376,
"density_atomic": 0.12278606030815953,
"volume": 228.03891524597853,
"volume_molar": 4.904580165603546,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493402657142858,
"spacegroup": 1
}
]
}