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=210",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=208",
"results": [
{
"id": "jvasp-106324",
"created_at": "2022-09-04T14:37:48.634333Z",
"updated_at": "2022-09-04T14:37:48.634359Z",
"structure_string": "U3 P2 S1\n1.0\n3.963178 -0.000000 -0.000000\n-1.981589 3.432213 -0.000000\n0.000000 -0.000000 9.421315\nU P S\n3 2 1\ndirect\n0.000000 0.000000 0.500000 U\n0.333333 0.666666 0.164067 U\n0.666667 0.333333 0.835932 U\n0.333333 0.666666 0.668913 P\n0.666667 0.333333 0.331086 P\n0.000000 0.000000 0.000000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"P",
"S"
],
"chemical_system": "P-S-U",
"density": 10.47091100311069,
"density_atomic": 0.0468189764976246,
"volume": 128.15316456788446,
"volume_molar": 12.862606597787414,
"formula_full": "U3 P2 S1",
"formula_reduced": "U3P2S",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.567054833333334,
"spacegroup": 164
},
{
"id": "jvasp-26908",
"created_at": "2022-09-04T14:38:30.602078Z",
"updated_at": "2022-09-04T14:38:30.602095Z",
"structure_string": "Ho8 Ni2 B28\n1.0\n7.203376 -0.000000 -0.000000\n0.000000 7.203376 0.000000\n-0.000000 -0.000000 7.486567\nHo Ni B\n8 2 28\ndirect\n0.193318 0.331357 0.000000 Ho\n0.668643 0.193318 0.000000 Ho\n0.331357 0.806683 0.000000 Ho\n0.693318 0.168643 0.500000 Ho\n0.306683 0.831357 0.500000 Ho\n0.806683 0.668643 0.000000 Ho\n0.831357 0.693318 0.500000 Ho\n0.168643 0.306683 0.500000 Ho\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.539151 0.674896 0.733017 B\n0.089221 0.589222 0.250000 B\n0.410779 0.089221 0.250000 B\n0.589222 0.910779 0.250000 B\n0.910779 0.410779 0.250000 B\n0.000000 0.000000 0.388921 B\n0.589222 0.910779 0.750000 B\n0.410779 0.089221 0.750000 B\n0.089221 0.589222 0.750000 B\n0.460849 0.325105 0.733017 B\n0.500000 0.500000 0.111079 B\n0.910779 0.410779 0.750000 B\n0.174895 0.039151 0.766984 B\n0.825105 0.960850 0.766984 B\n0.325105 0.539151 0.733017 B\n0.960850 0.174895 0.766984 B\n0.039151 0.825105 0.766984 B\n0.000000 0.000000 0.611079 B\n0.460849 0.325105 0.266983 B\n0.539151 0.674896 0.266983 B\n0.825105 0.960850 0.233017 B\n0.325105 0.539151 0.266983 B\n0.674896 0.460849 0.266983 B\n0.039151 0.825105 0.233017 B\n0.960850 0.174895 0.233017 B\n0.174895 0.039151 0.233017 B\n0.674896 0.460849 0.733017 B\n0.500000 0.500000 0.888921 B\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"B"
],
"chemical_system": "B-Ho-Ni",
"density": 7.43580467724515,
"density_atomic": 0.09782023726912291,
"volume": 388.4676735699838,
"volume_molar": 6.1563342393373,
"formula_full": "Ho8 Ni2 B28",
"formula_reduced": "Ho4NiB14",
"formula_anonymous": "AB4C14",
"energy_above_hull": 4.5666816228070175,
"spacegroup": 128
},
{
"id": "jvasp-102648",
"created_at": "2022-09-04T14:37:07.289646Z",
"updated_at": "2022-09-04T14:37:07.289666Z",
"structure_string": "Zr2 C1 N1\n1.0\n3.153401 0.000632 4.755564\n1.433915 2.808527 4.755564\n0.001032 0.000632 5.706078\nZr C N\n2 1 1\ndirect\n0.250822 0.250822 0.250822 Zr\n0.749179 0.749178 0.749177 Zr\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.499999 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"C",
"N"
],
"chemical_system": "C-N-Zr",
"density": 6.85322358828999,
"density_atomic": 0.0791902677810265,
"volume": 50.51125740678926,
"volume_molar": 7.604647551706939,
"formula_full": "Zr2 C1 N1",
"formula_reduced": "Zr2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.566625562499999,
"spacegroup": 166
},
{
"id": "jvasp-50369",
"created_at": "2022-09-04T14:35:44.626911Z",
"updated_at": "2022-09-04T14:35:44.626931Z",
"structure_string": "Hf8 N8 O4\n1.0\n5.425372 0.000918 0.000984\n2.711705 4.767146 0.000206\n2.710510 1.483828 9.754398\nHf N O\n8 8 4\ndirect\n0.417737 0.438458 0.713916 Hf\n0.907498 0.956571 0.211991 Hf\n0.326627 0.294198 0.036099 Hf\n0.170476 0.164673 0.463861 Hf\n0.820721 0.812239 0.534182 Hf\n0.049591 0.086034 0.784238 Hf\n0.679076 0.672459 0.963079 Hf\n0.565203 0.578282 0.285023 Hf\n0.624205 0.333979 0.121073 N\n0.587581 0.868836 0.374874 N\n0.081844 0.381905 0.873219 N\n0.329834 0.916784 0.127034 N\n0.675055 0.076555 0.881072 N\n0.883280 0.174188 0.367022 N\n0.835128 0.422065 0.628918 N\n0.136724 0.828635 0.619175 N\n0.934297 0.625382 0.124044 O\n0.382269 0.690604 0.865119 O\n0.444636 0.125340 0.624053 O\n0.188603 0.560110 0.382991 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.558857957080523,
"density_atomic": 0.07928687111633831,
"volume": 252.24857177998396,
"volume_molar": 7.5953820288401355,
"formula_full": "Hf8 N8 O4",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.5664172,
"spacegroup": 5
},
{
"id": "jvasp-109808",
"created_at": "2022-09-04T14:38:16.271132Z",
"updated_at": "2022-09-04T14:38:16.271159Z",
"structure_string": "Cr4 S3 N2\n1.0\n4.647020 -0.001547 3.525306\n1.054717 2.946361 0.000000\n0.031894 -0.011417 8.448320\nCr S N\n4 3 2\ndirect\n0.317640 0.841178 0.643434 Cr\n0.682360 0.158819 0.356567 Cr\n0.545606 0.727197 0.109865 Cr\n0.454394 0.272801 0.890136 Cr\n0.000000 0.000000 0.000000 S\n0.826269 0.586864 0.765261 S\n0.173732 0.413134 0.234739 S\n0.488801 0.755598 0.364527 N\n0.511199 0.244400 0.635473 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cr",
"S",
"N"
],
"chemical_system": "Cr-N-S",
"density": 4.783678422733056,
"density_atomic": 0.07804861014448779,
"volume": 115.31275167281923,
"volume_molar": 7.715884688851587,
"formula_full": "Cr4 S3 N2",
"formula_reduced": "Cr4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.565768455555554,
"spacegroup": 12
},
{
"id": "jvasp-49942",
"created_at": "2022-09-04T14:38:05.016566Z",
"updated_at": "2022-09-04T14:38:05.016601Z",
"structure_string": "Hf8 N8 O4\n1.0\n5.424987 -0.002009 0.000241\n2.680381 4.769544 -0.004217\n2.629906 1.433983 9.725389\nHf N O\n8 8 4\ndirect\n0.695548 0.686789 0.962619 Hf\n0.829375 0.816726 0.535829 Hf\n0.413576 0.441537 0.713921 Hf\n0.919638 0.953099 0.213474 Hf\n0.088706 0.067682 0.786387 Hf\n0.564576 0.579999 0.285019 Hf\n0.198052 0.168562 0.465083 Hf\n0.321636 0.309866 0.035881 Hf\n0.921934 0.326788 0.120236 N\n0.575459 0.173918 0.369090 N\n0.622097 0.918782 0.125339 N\n0.167771 0.868857 0.376473 N\n0.417133 0.829633 0.621423 N\n0.386668 0.074156 0.874213 N\n0.087091 0.676028 0.874392 N\n0.112289 0.425671 0.628040 N\n0.867973 0.561303 0.381515 O\n0.682257 0.374773 0.875310 O\n0.811204 0.126721 0.626842 O\n0.317032 0.619098 0.128912 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.5808297043952,
"density_atomic": 0.07945185781325388,
"volume": 251.72476201888978,
"volume_molar": 7.5796097482762805,
"formula_full": "Hf8 N8 O4",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.5656312,
"spacegroup": 1
},
{
"id": "jvasp-39413",
"created_at": "2022-09-04T14:37:59.668903Z",
"updated_at": "2022-09-04T14:37:59.668932Z",
"structure_string": "Lu2 Fe17 C3\n1.0\n4.245148 2.450936 4.147516\n-4.245148 2.450936 4.147516\n-0.000000 -4.901875 4.147516\nLu Fe C\n2 17 3\ndirect\n0.342355 0.342355 0.342355 Lu\n0.657645 0.657645 0.657645 Lu\n0.000000 0.499999 0.000001 Fe\n0.499999 0.000000 0.000001 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.345726 0.851240 0.345724 Fe\n0.345726 0.345726 0.851238 Fe\n0.851240 0.345726 0.345724 Fe\n0.148762 0.654274 0.654276 Fe\n0.654275 0.654275 0.148761 Fe\n0.654274 0.148762 0.654276 Fe\n0.282282 0.999999 0.717719 Fe\n0.999999 0.717719 0.282282 Fe\n0.717719 0.282281 1.000000 Fe\n0.717719 0.999999 0.282282 Fe\n0.999999 0.282282 0.717719 Fe\n0.282281 0.717719 1.000000 Fe\n0.903390 0.903390 0.903388 Fe\n0.096612 0.096612 0.096612 Fe\n0.500001 0.500001 1.000000 C\n1.000000 0.500000 0.500000 C\n0.500000 1.000000 0.500000 C\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"Fe",
"C"
],
"chemical_system": "C-Fe-Lu",
"density": 8.563942781823595,
"density_atomic": 0.08496858315005966,
"volume": 258.91922854764647,
"volume_molar": 7.087491089929716,
"formula_full": "Lu2 Fe17 C3",
"formula_reduced": "Lu2Fe17C3",
"formula_anonymous": "A2B3C17",
"energy_above_hull": 4.565470227272726,
"spacegroup": 166
},
{
"id": "jvasp-112199",
"created_at": "2022-09-04T14:38:44.205995Z",
"updated_at": "2022-09-04T14:38:44.206022Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.907098 -0.070667 -0.045692\n-1.063459 4.351733 -0.306983\n0.214205 0.023305 15.949988\nCd H C O\n1 18 11 4\ndirect\n0.763489 0.892583 0.158320 Cd\n0.909597 0.554569 0.482872 H\n0.902642 0.087467 0.386064 H\n0.640606 -0.003602 0.883056 H\n0.449308 0.008576 0.694484 H\n0.878926 0.021807 0.730430 H\n0.668236 0.036278 0.541780 H\n0.095526 0.044334 0.578561 H\n0.334213 0.559524 0.520024 H\n0.217264 0.991530 0.842931 H\n0.253190 0.500275 0.931830 H\n0.646704 0.455831 0.978531 H\n0.466300 0.501945 0.782350 H\n0.890952 0.507796 0.820205 H\n0.679022 0.520000 0.632277 H\n0.108838 0.533679 0.668074 H\n0.176405 0.600264 0.330057 H\n0.579091 0.616905 0.380217 H\n0.313328 0.070703 0.427712 H\n0.087322 0.230352 0.074518 C\n0.401267 0.330410 0.945039 C\n0.470196 0.145369 0.866495 C\n0.638233 0.351620 0.797096 C\n0.701696 0.168408 0.716504 C\n0.152991 0.231328 0.413998 C\n0.920578 0.193303 0.564866 C\n0.082699 0.403523 0.495932 C\n0.343145 0.454905 0.350856 C\n0.467087 0.308808 0.272076 C\n0.856732 0.373458 0.645957 C\n0.185368 0.108962 0.000376 O\n0.709668 0.470691 0.228827 O\n0.338796 0.020544 0.251669 O\n0.192809 0.512051 0.092631 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0085446189908427,
"density_atomic": 0.12589343629143795,
"volume": 270.0696795763954,
"volume_molar": 4.783522427697501,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.565001875,
"spacegroup": 1
},
{
"id": "jvasp-112185",
"created_at": "2022-09-04T14:38:45.896689Z",
"updated_at": "2022-09-04T14:38:45.896707Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.858700 -0.028515 0.387548\n1.640046 4.159224 0.499010\n0.177804 -0.021064 16.977612\nCd H C O\n1 18 11 4\ndirect\n0.117390 -0.019451 0.847087 Cd\n0.694000 0.683653 0.501603 H\n0.677231 0.178666 0.580595 H\n0.350768 0.419378 0.128432 H\n0.813674 0.253939 0.272172 H\n0.326674 0.384420 0.274496 H\n0.760761 0.212801 0.425714 H\n0.275144 0.344789 0.423798 H\n0.209205 0.822677 0.497326 H\n0.838559 0.297600 0.119484 H\n0.823569 0.160673 0.005814 H\n0.396643 0.980175 0.047915 H\n0.799780 0.765565 0.191856 H\n0.311468 0.901229 0.196674 H\n0.761645 0.722988 0.347153 H\n0.274708 0.860469 0.347302 H\n0.585799 0.659684 0.656413 H\n0.110279 0.799742 0.644627 H\n0.194783 0.309008 0.573249 H\n0.693648 0.624570 0.972230 C\n0.560373 0.725601 0.045421 C\n0.581120 0.512144 0.121094 C\n0.563765 0.682507 0.195571 C\n0.559366 0.471090 0.272581 C\n0.423984 0.395048 0.576058 C\n0.507226 0.430494 0.424349 C\n0.459429 0.602205 0.499827 C\n0.356908 0.578600 0.650104 C\n0.288060 0.396859 0.727147 C\n0.526121 0.640823 0.347752 C\n0.886882 0.297511 0.961713 O\n0.352850 0.460593 0.794359 O\n0.158174 0.176610 0.722521 O\n0.668644 0.804019 0.904315 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9869193916293093,
"density_atomic": 0.1245379900855703,
"volume": 273.0090631512403,
"volume_molar": 4.83558531486029,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.564842169117648,
"spacegroup": 1
},
{
"id": "jvasp-22390",
"created_at": "2022-09-04T14:38:04.953483Z",
"updated_at": "2022-09-04T14:38:04.953510Z",
"structure_string": "V4 B6\n1.0\n2.981501 0.000000 0.000000\n0.000000 3.013342 -0.500327\n0.000000 0.001967 9.336309\nV B\n4 6\ndirect\n0.250000 0.294794 0.589587 V\n0.750000 0.705206 0.410413 V\n0.250000 0.570561 0.141122 V\n0.750000 0.429439 0.858878 V\n0.250000 0.168418 0.336835 B\n0.750000 0.831582 0.663165 B\n0.250000 0.882329 0.764657 B\n0.750000 0.117671 0.235342 B\n0.750000 0.023583 0.047167 B\n0.250000 0.976417 0.952833 B\n",
"nsites": 10,
"nelements": 2,
"elements": [
"V",
"B"
],
"chemical_system": "B-V",
"density": 5.317812860075568,
"density_atomic": 0.11921371091225275,
"volume": 83.88296885884628,
"volume_molar": 5.051550458346689,
"formula_full": "V4 B6",
"formula_reduced": "V2B3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.56481123,
"spacegroup": 63
},
{
"id": "jvasp-50098",
"created_at": "2022-09-04T14:37:19.269919Z",
"updated_at": "2022-09-04T14:37:19.269945Z",
"structure_string": "Hf6 N6 O3\n1.0\n0.000000 3.254583 0.000000\n-6.833840 1.627292 -0.020362\n-1.491492 0.000000 8.027438\nHf N O\n6 6 3\ndirect\n0.031081 0.937835 0.808439 Hf\n0.629999 0.740001 0.474642 Hf\n0.695102 0.609793 0.131731 Hf\n0.304896 0.390206 0.868270 Hf\n0.369999 0.259999 0.525359 Hf\n0.968917 0.062164 0.191561 Hf\n0.536337 0.927321 0.656472 N\n0.171970 0.656058 0.963688 N\n0.125988 0.748022 0.285268 N\n0.874011 0.251978 0.714733 N\n0.828028 0.343941 0.036313 N\n0.463661 0.072678 0.343529 N\n0.211064 0.577872 0.617414 O\n0.788935 0.422128 0.382587 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 11.182256450299791,
"density_atomic": 0.08396799441460663,
"volume": 178.63949359008006,
"volume_molar": 7.171947837963866,
"formula_full": "Hf6 N6 O3",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.5645072,
"spacegroup": 12
},
{
"id": "jvasp-109305",
"created_at": "2022-09-04T14:38:02.648479Z",
"updated_at": "2022-09-04T14:38:02.648498Z",
"structure_string": "Ta1 Ti3\n1.0\n4.110684 -0.000000 0.000000\n0.000000 4.110684 0.000000\n-0.000000 -0.000000 4.110684\nTa Ti\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n-0.000000 0.499999 0.499999 Ti\n0.499999 0.000000 0.499999 Ti\n0.499999 0.499999 -0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ti"
],
"chemical_system": "Ta-Ti",
"density": 7.758663818662881,
"density_atomic": 0.0575861061565256,
"volume": 69.46119935818449,
"volume_molar": 10.457627997335218,
"formula_full": "Ta1 Ti3",
"formula_reduced": "TaTi3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.5644085500000005,
"spacegroup": 221
}
]
}