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=93",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=91",
"results": [
{
"id": "jvasp-103797",
"created_at": "2022-09-04T14:36:43.714585Z",
"updated_at": "2022-09-04T14:36:43.714605Z",
"structure_string": "H16 C18 O2\n1.0\n5.528287 -0.077377 -1.723620\n-1.243341 7.011789 -2.210805\n0.057396 0.023365 8.333612\nH C O\n16 18 2\ndirect\n0.723525 0.563217 0.075177 H\n0.446347 0.859056 0.825319 H\n0.946345 0.859055 0.325319 H\n0.834982 0.556384 0.382060 H\n0.054595 0.858109 0.629539 H\n0.554594 0.858110 0.129539 H\n0.218905 0.405886 0.211403 H\n0.718905 0.405886 0.711404 H\n0.334982 0.556385 0.882060 H\n0.087862 0.098255 0.907567 H\n0.489302 0.302792 0.227673 H\n-0.010699 0.302792 0.727673 H\n0.387564 0.047025 0.523561 H\n0.887565 0.047023 0.023560 H\n0.223525 0.563218 0.575178 H\n0.587860 0.098254 0.407568 H\n0.266357 0.878546 0.245309 C\n0.531506 0.793199 0.727666 C\n0.031505 0.793200 0.227667 C\n0.405755 0.627616 0.586383 C\n0.905753 0.627615 0.086382 C\n0.255474 0.220323 0.365610 C\n0.755474 0.220319 0.865611 C\n0.766358 0.878546 0.745309 C\n0.511865 0.541458 0.458818 C\n0.395288 0.062506 0.397932 C\n0.872171 0.793117 0.618060 C\n0.372170 0.793118 0.118061 C\n0.747859 0.624478 0.477750 C\n0.247858 0.624477 0.977750 C\n0.368599 0.364390 0.300946 C\n0.868602 0.364392 0.800947 C\n0.895289 0.062508 0.897933 C\n0.011865 0.541459 0.958818 C\n0.556643 0.229407 0.890489 O\n0.056641 0.229407 0.390489 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3577032008024708,
"density_atomic": 0.11136040012228451,
"volume": 323.2747005261162,
"volume_molar": 5.407793751986438,
"formula_full": "H16 C18 O2",
"formula_reduced": "H8C9O",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.391541305555554,
"spacegroup": 1
},
{
"id": "jvasp-103790",
"created_at": "2022-09-04T14:36:39.746741Z",
"updated_at": "2022-09-04T14:36:39.746767Z",
"structure_string": "H16 C18 O2\n1.0\n4.434753 0.070803 -0.861560\n-0.443687 6.523251 -0.910659\n-0.128493 0.032788 10.885712\nH C O\n16 18 2\ndirect\n0.894418 0.251249 0.802505 H\n0.483257 0.937084 0.181114 H\n0.483258 0.437086 0.681114 H\n0.044398 0.256510 0.605540 H\n0.634581 0.437615 0.486248 H\n0.634581 0.937615 0.986249 H\n0.642952 0.919834 0.668436 H\n0.642952 0.419833 0.168436 H\n0.044396 0.756509 0.105541 H\n0.172431 0.406898 0.318532 H\n0.106655 0.693976 0.696109 H\n0.106655 0.193975 0.196109 H\n0.375974 0.103673 0.695619 H\n0.375973 0.603672 0.195619 H\n0.894417 0.751248 0.302506 H\n0.172432 0.906899 0.818533 H\n0.528148 0.697683 0.826755 C\n0.606310 0.004976 0.274966 C\n0.606311 0.504977 0.774966 C\n0.836451 0.902330 0.341165 C\n0.836452 0.402331 0.841165 C\n0.401040 0.942108 0.663464 C\n0.401040 0.442107 0.163464 C\n0.528148 0.197682 0.326755 C\n0.998946 0.989735 0.461533 C\n0.279496 0.807795 0.752972 C\n0.691087 0.286537 0.446288 C\n0.691087 0.786537 0.946288 C\n0.922549 0.183489 0.512920 C\n0.922548 0.683489 0.012920 C\n0.243925 0.872207 0.526977 C\n0.243925 0.372207 0.026977 C\n0.279496 0.307794 0.252972 C\n0.998946 0.489736 0.961533 C\n0.315756 0.209460 0.972271 O\n0.315754 0.709460 0.472271 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3947593874586293,
"density_atomic": 0.11439979177327043,
"volume": 314.68588746515024,
"volume_molar": 5.2641186375018165,
"formula_full": "H16 C18 O2",
"formula_reduced": "H8C9O",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.391382416666666,
"spacegroup": 1
},
{
"id": "jvasp-110194",
"created_at": "2022-09-04T14:38:18.428933Z",
"updated_at": "2022-09-04T14:38:18.428956Z",
"structure_string": "Nb6 Pd1 Pt1\n1.0\n5.204035 0.000000 0.000000\n0.000000 5.204035 0.000000\n-0.000000 -0.000000 5.204035\nNb Pd Pt\n6 1 1\ndirect\n-0.000000 0.500000 0.750761 Nb\n0.500000 0.249240 -0.000000 Nb\n0.750761 0.000000 0.500000 Nb\n-0.000000 0.500000 0.249240 Nb\n0.500000 0.750761 -0.000000 Nb\n0.249240 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Pd",
"Pt"
],
"chemical_system": "Nb-Pd-Pt",
"density": 10.120278216316766,
"density_atomic": 0.05676352545606007,
"volume": 140.93557325280474,
"volume_molar": 10.609173252746016,
"formula_full": "Nb6 Pd1 Pt1",
"formula_reduced": "Nb6PdPt",
"formula_anonymous": "ABC6",
"energy_above_hull": 5.3899916875,
"spacegroup": 200
},
{
"id": "jvasp-110114",
"created_at": "2022-09-04T14:38:27.139778Z",
"updated_at": "2022-09-04T14:38:27.139803Z",
"structure_string": "Zr2 Mo2 W2\n1.0\n4.681967 0.002199 -2.674392\n-1.554728 4.389350 -2.718384\n0.004342 -0.002199 5.391953\nZr Mo W\n2 2 2\ndirect\n0.125102 0.875102 0.250000 Zr\n0.874898 0.124898 0.750000 Zr\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000001 W\n-0.000000 0.500000 0.500000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"W"
],
"chemical_system": "Mo-W-Zr",
"density": 11.116207811631595,
"density_atomic": 0.05413152002311934,
"volume": 110.8411512818673,
"volume_molar": 11.125016916997657,
"formula_full": "Zr2 Mo2 W2",
"formula_reduced": "ZrMoW",
"formula_anonymous": "ABC",
"energy_above_hull": 5.389420133333331,
"spacegroup": 74
},
{
"id": "jvasp-75822",
"created_at": "2022-09-04T14:36:02.258754Z",
"updated_at": "2022-09-04T14:36:02.258782Z",
"structure_string": "Re1 Mo2 As1\n1.0\n-0.000000 3.140918 3.140918\n3.140918 0.000000 3.140918\n3.140918 3.140918 -0.000000\nRe Mo As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Re\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Mo\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Re",
"Mo",
"As"
],
"chemical_system": "As-Mo-Re",
"density": 12.138240927174166,
"density_atomic": 0.06454464261163866,
"volume": 61.97261055526741,
"volume_molar": 9.330194600712053,
"formula_full": "Re1 Mo2 As1",
"formula_reduced": "ReMo2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3879828875,
"spacegroup": 216
},
{
"id": "jvasp-104167",
"created_at": "2022-09-04T14:36:56.826449Z",
"updated_at": "2022-09-04T14:36:56.826469Z",
"structure_string": "H16 C14 N4\n1.0\n3.926393 -0.101890 0.987534\n-0.181987 5.818197 -1.127355\n0.320911 0.144846 12.361983\nH C N\n16 14 4\ndirect\n0.509260 0.380287 0.097655 H\n0.146339 0.625037 0.724601 H\n0.146341 0.125036 0.224601 H\n0.618175 0.323324 0.315547 H\n0.618173 0.823325 0.815548 H\n0.287825 0.565519 0.944586 H\n-0.002950 0.008681 0.626234 H\n-0.002949 0.508681 0.126235 H\n0.287826 0.065519 0.444586 H\n0.832808 0.433936 0.916689 H\n0.298758 0.803323 0.280700 H\n0.298758 0.303323 0.780700 H\n0.125985 0.519833 0.288676 H\n0.125985 0.019834 0.788675 H\n0.509259 0.880288 0.597655 H\n0.832809 0.933936 0.416690 H\n0.186445 0.824856 0.094159 C\n0.250372 0.557495 0.634996 C\n0.250373 0.057495 0.134995 C\n0.452663 0.702324 0.563053 C\n0.452664 0.202324 0.063053 C\n0.186447 0.324857 0.594159 C\n0.591607 0.623663 0.446804 C\n0.067048 0.190674 0.778901 C\n0.324278 0.246685 0.478164 C\n0.324278 0.746686 0.978164 C\n0.518798 0.392519 0.405179 C\n0.518797 0.892519 0.905179 C\n0.067047 0.690675 0.278902 C\n0.591608 0.123664 0.946803 C\n0.996726 0.673922 0.167022 N\n0.790337 0.273206 0.876065 N\n0.790339 0.773206 0.376065 N\n0.996725 0.173923 0.667023 N\n",
"nsites": 34,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.4201363887846439,
"density_atomic": 0.12100394400055672,
"volume": 280.9825768971925,
"volume_molar": 4.976813615242404,
"formula_full": "H16 C14 N4",
"formula_reduced": "H8C7N2",
"formula_anonymous": "A2B7C8",
"energy_above_hull": 5.387462735294117,
"spacegroup": 1
},
{
"id": "jvasp-112250",
"created_at": "2022-09-04T14:38:46.719181Z",
"updated_at": "2022-09-04T14:38:46.719201Z",
"structure_string": "H22 C24 O4\n1.0\n7.595475 0.041078 -2.053679\n-2.346439 6.784693 -3.794886\n-0.110579 0.039840 8.420702\nH C O\n22 24 4\ndirect\n0.288529 0.053259 0.597186 H\n0.400111 0.546265 0.768374 H\n0.599889 0.453735 0.231625 H\n0.249243 0.231494 0.448671 H\n0.750757 0.768506 0.551328 H\n0.169490 0.093358 0.076243 H\n0.365544 0.134335 0.014811 H\n0.634456 0.865665 0.985188 H\n0.247169 0.349488 0.985726 H\n0.752831 0.650511 0.014273 H\n0.437549 0.703799 0.200786 H\n0.830510 0.906641 0.923757 H\n0.074168 0.825267 0.809707 H\n0.925833 0.174733 0.190292 H\n0.888582 0.477036 0.601140 H\n0.111418 0.522964 0.398859 H\n0.785203 0.161001 0.395609 H\n0.214797 0.838999 0.604390 H\n0.655046 0.160410 0.536127 H\n0.344954 0.839589 0.463872 H\n0.711471 0.946740 0.402814 H\n0.562451 0.296201 0.799213 H\n0.788417 0.544930 0.051097 C\n0.211583 0.455070 0.948903 C\n0.677788 0.869499 0.872908 C\n0.322212 0.130501 0.127091 C\n0.584515 0.678499 0.680476 C\n0.444350 0.526190 0.650850 C\n0.639721 0.650922 0.527846 C\n0.360279 0.349078 0.472154 C\n0.555650 0.473810 0.349149 C\n0.316882 0.651422 0.068573 C\n0.415485 0.321501 0.319523 C\n0.683118 0.348577 0.931426 C\n0.061135 0.822503 0.336763 C\n0.733773 0.212125 0.977396 C\n0.112989 0.723168 0.850939 C\n0.887011 0.276831 0.149060 C\n0.008672 0.524243 0.731924 C\n0.991328 0.475757 0.268075 C\n0.054150 0.387254 0.779084 C\n0.945850 0.612746 0.220915 C\n0.938865 0.177497 0.663236 C\n0.763128 0.107006 0.488553 C\n0.236872 0.892994 0.511446 C\n0.266228 0.787875 0.022603 C\n0.017199 0.937416 0.286856 O\n0.624910 0.021817 0.845383 O\n0.375090 0.978183 0.154616 O\n0.982802 0.062584 0.713143 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4307268440604501,
"density_atomic": 0.11505567952975396,
"volume": 434.572201949142,
"volume_molar": 5.23410994104176,
"formula_full": "H22 C24 O4",
"formula_reduced": "H11(C6O)2",
"formula_anonymous": "A2B11C12",
"energy_above_hull": 5.386483879999999,
"spacegroup": 2
},
{
"id": "jvasp-65135",
"created_at": "2022-09-04T14:35:47.216893Z",
"updated_at": "2022-09-04T14:35:47.216917Z",
"structure_string": "Be1 Mo4 Rh1\n1.0\n0.000000 3.620491 3.620491\n3.620491 0.000000 3.620491\n3.620491 3.620491 -0.000000\nBe Mo Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.121072 0.626309 0.626309 Mo\n0.626309 0.626309 0.626309 Mo\n0.626309 0.121072 0.626309 Mo\n0.626309 0.626309 0.121072 Mo\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Rh"
],
"chemical_system": "Be-Mo-Rh",
"density": 8.671935724471998,
"density_atomic": 0.06321481015861874,
"volume": 94.91446679891607,
"volume_molar": 9.52647132039032,
"formula_full": "Be1 Mo4 Rh1",
"formula_reduced": "BeMo4Rh",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.38414545,
"spacegroup": 216
},
{
"id": "jvasp-103845",
"created_at": "2022-09-04T14:37:02.370692Z",
"updated_at": "2022-09-04T14:37:02.370708Z",
"structure_string": "H5 C7 N1 O2\n1.0\n3.821852 -0.072859 -0.054867\n-0.513995 5.444696 -1.777935\n0.099294 -0.035188 6.841616\nH C N O\n5 7 1 2\ndirect\n0.737525 0.258988 0.607455 H\n0.223328 0.807718 0.274790 H\n0.311350 0.938395 0.659394 H\n0.611864 0.115411 0.226384 H\n0.736734 0.605198 0.923039 H\n0.393809 0.765144 0.561859 C\n0.342234 0.690267 0.347795 C\n0.526965 0.606736 0.654191 C\n0.407883 0.451982 0.229854 C\n0.625372 0.377681 0.533225 C\n0.557522 0.297656 0.322559 C\n0.240774 0.336263 0.022147 C\n0.518151 0.667650 0.875948 N\n0.219536 0.465845 0.886635 O\n0.075992 0.130637 0.969927 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5810636615748839,
"density_atomic": 0.10569916604356432,
"volume": 141.91218872831686,
"volume_molar": 5.697434507210731,
"formula_full": "H5 C7 N1 O2",
"formula_reduced": "H5C7NO2",
"formula_anonymous": "AB2C5D7",
"energy_above_hull": 5.383422016666667,
"spacegroup": 1
},
{
"id": "jvasp-79224",
"created_at": "2022-09-04T14:37:13.918912Z",
"updated_at": "2022-09-04T14:37:13.918938Z",
"structure_string": "Nb2 Cu1 Re1\n1.0\n-8.461603 -0.000000 -4.885308\n-8.801719 0.041968 5.474407\n-5.774225 8.605016 0.230634\nNb Cu Re\n2 1 1\ndirect\n0.732744 -0.000000 0.000000 Nb\n0.267256 -0.000000 0.000000 Nb\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Cu",
"Re"
],
"chemical_system": "Cu-Nb-Re",
"density": 0.9425655985100435,
"density_atomic": 0.005212772199286486,
"volume": 767.346019944534,
"volume_molar": 115.52664359329378,
"formula_full": "Nb2 Cu1 Re1",
"formula_reduced": "Nb2CuRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3831868125,
"spacegroup": 71
},
{
"id": "jvasp-37556",
"created_at": "2022-09-04T14:37:55.631931Z",
"updated_at": "2022-09-04T14:37:55.631956Z",
"structure_string": "Ti1 Os3\n1.0\n3.894181 0.000000 -0.000000\n0.000000 3.894181 0.000000\n-0.000000 -0.000000 3.894181\nTi Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Os"
],
"chemical_system": "Os-Ti",
"density": 17.393237333733307,
"density_atomic": 0.06773475914557692,
"volume": 59.05387500386794,
"volume_molar": 8.890768692418456,
"formula_full": "Ti1 Os3",
"formula_reduced": "TiOs3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.382160833333333,
"spacegroup": 221
},
{
"id": "jvasp-70872",
"created_at": "2022-09-04T14:35:43.853080Z",
"updated_at": "2022-09-04T14:35:43.853097Z",
"structure_string": "Y1 Be1 Mo4\n1.0\n-0.000000 3.772319 3.772319\n3.772319 -0.000000 3.772319\n3.772319 3.772319 -0.000000\nY Be Mo\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Be\n0.122514 0.625829 0.625829 Mo\n0.625829 0.625829 0.625829 Mo\n0.625829 0.122514 0.625829 Mo\n0.625829 0.625829 0.122514 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Be",
"Mo"
],
"chemical_system": "Be-Mo-Y",
"density": 7.44990455061094,
"density_atomic": 0.055885098618549164,
"volume": 107.36314596049587,
"volume_molar": 10.775932956842192,
"formula_full": "Y1 Be1 Mo4",
"formula_reduced": "YBeMo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.381367525000001,
"spacegroup": 216
}
]
}