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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=81",
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"results": [
{
"id": "jvasp-113239",
"created_at": "2022-09-04T14:38:45.656261Z",
"updated_at": "2022-09-04T14:38:45.656288Z",
"structure_string": "Li7 Cr2 O8\n1.0\n5.103513 0.058433 0.685070\n1.755256 4.575470 1.756315\n0.092247 0.086587 7.742532\nLi Cr O\n7 2 8\ndirect\n0.764334 0.223242 0.010642 Li\n0.269202 0.228641 0.208241 Li\n0.712450 0.066218 0.450387 Li\n0.242139 0.950124 0.543267 Li\n0.798064 0.515347 0.567558 Li\n0.725173 0.775676 0.812892 Li\n0.224636 0.794943 -0.004003 Li\n0.293625 0.372656 0.767013 Cr\n0.703754 0.621207 0.227415 Cr\n0.550702 0.497935 0.789942 O\n0.845770 0.813125 0.029139 O\n0.500011 0.469416 0.164208 O\n0.947715 0.307109 0.382581 O\n0.544935 0.848837 0.364980 O\n0.435526 0.116045 0.653181 O\n0.023949 0.688738 0.638005 O\n0.164074 0.200848 0.979761 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Cr",
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],
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"density": 2.6020951927965283,
"density_atomic": 0.09494562581797926,
"volume": 179.04984935894558,
"volume_molar": 6.342725858213918,
"formula_full": "Li7 Cr2 O8",
"formula_reduced": "Li7Cr2O8",
"formula_anonymous": "A2B7C8",
"energy_above_hull": 2.3555489882352942,
"spacegroup": 1
},
{
"id": "jvasp-116837",
"created_at": "2022-09-04T14:38:46.054501Z",
"updated_at": "2022-09-04T14:38:46.054525Z",
"structure_string": "Li1 V4 O5 F7\n1.0\n4.832211 0.014281 1.291029\n2.055395 4.594981 1.550798\n0.000845 0.071365 8.709300\nLi V O F\n1 4 5 7\ndirect\n0.678975 0.527366 0.099116 Li\n0.993058 -0.001825 0.988810 V\n0.546740 0.492148 0.504050 V\n0.762262 0.788565 0.732834 V\n0.214915 0.246841 0.247977 V\n0.164178 0.163937 0.081374 O\n0.736890 0.129504 0.625210 O\n0.684040 0.673796 0.578024 O\n0.826416 0.428229 0.318736 O\n0.820275 0.811189 0.936421 O\n0.262779 0.868305 0.380998 F\n0.747588 0.389437 0.882984 F\n0.670756 0.083396 0.181882 F\n0.326077 0.323853 0.427209 F\n0.317844 0.941266 0.810569 F\n0.257770 0.614192 0.122742 F\n0.188073 0.564773 0.684723 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.6496445840616887,
"density_atomic": 0.08818592818469481,
"volume": 192.77452026581324,
"volume_molar": 6.828913505777647,
"formula_full": "Li1 V4 O5 F7",
"formula_reduced": "LiV4O5F7",
"formula_anonymous": "AB4C5D7",
"energy_above_hull": 1.9825827222058827,
"spacegroup": 1
},
{
"id": "jvasp-112157",
"created_at": "2022-09-04T14:38:45.684318Z",
"updated_at": "2022-09-04T14:38:45.684348Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.812525 0.090167 0.184696\n1.301535 4.393978 0.893684\n0.196458 -0.008641 9.443689\nHf H C O\n1 8 6 4\ndirect\n0.036060 0.832713 0.307175 Hf\n0.787448 0.207182 0.914603 H\n0.314438 0.327721 0.880226 H\n0.806263 0.743917 0.851551 H\n0.323053 0.885594 0.854309 H\n0.063233 0.335271 0.670621 H\n0.676050 0.225416 0.645094 H\n0.257880 0.727237 0.633830 H\n0.602791 0.902834 0.601133 H\n0.534678 0.397478 0.920147 C\n0.554939 0.697984 0.825276 C\n0.541063 0.699608 0.663016 C\n0.888371 0.446836 0.452700 C\n0.798010 0.413334 0.614008 C\n0.442307 0.405054 0.077750 C\n0.208202 0.646286 0.111662 O\n0.979980 0.161024 0.412989 O\n0.588181 0.661333 0.360939 O\n0.579613 0.162434 0.169749 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.4126866566755716,
"density_atomic": 0.12103638136098122,
"volume": 156.97759455757387,
"volume_molar": 4.97547984522063,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.733636157894738,
"spacegroup": 1
},
{
"id": "jvasp-115239",
"created_at": "2022-09-04T14:38:45.824062Z",
"updated_at": "2022-09-04T14:38:45.824104Z",
"structure_string": "Mg3 O1\n1.0\n4.247901 0.137842 1.300610\n4.028310 -3.046686 2.070410\n-0.412542 0.206328 -5.527445\nMg O\n3 1\ndirect\n-0.058753 0.153503 0.142152 Mg\n-0.029929 0.474601 0.810166 Mg\n0.947733 0.814661 0.465403 Mg\n0.711435 0.980429 0.806990 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.0472401173856216,
"density_atomic": 0.05546353868743734,
"volume": 72.1194517093806,
"volume_molar": 10.857837243197814,
"formula_full": "Mg3 O1",
"formula_reduced": "Mg3O",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1568770249999999,
"spacegroup": 1
},
{
"id": "jvasp-112179",
"created_at": "2022-09-04T14:38:45.813101Z",
"updated_at": "2022-09-04T14:38:45.813133Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.801988 -0.090769 -0.679527\n-1.033444 4.143239 -0.014777\n-0.484409 0.013960 11.781195\nCd H C O\n1 10 7 4\ndirect\n0.245282 0.228645 0.807936 Cd\n0.603463 0.555512 0.409175 H\n0.418876 0.539928 0.182586 H\n0.961778 0.448322 0.199745 H\n0.109476 -0.004938 0.308722 H\n0.569430 0.066579 0.297315 H\n0.324348 0.038934 0.074528 H\n0.866025 0.938645 0.092726 H\n0.833597 0.052819 0.533799 H\n0.401524 0.119580 0.513450 H\n0.148263 0.510832 0.422919 H\n0.482481 0.784933 0.637854 C\n0.541675 0.923711 0.522759 C\n0.401837 0.691861 0.414813 C\n0.323213 0.871531 0.303246 C\n0.198850 0.650474 0.192509 C\n0.092773 0.836114 0.084010 C\n0.960095 0.620276 0.973667 C\n0.697970 0.365643 0.971095 O\n0.631681 0.975184 0.730308 O\n0.273805 0.503532 0.639902 O\n0.116817 0.693703 0.887729 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.4534104744855787,
"density_atomic": 0.1201366598818096,
"volume": 183.12478490448785,
"volume_molar": 5.012741960634313,
"formula_full": "Cd1 H10 C7 O4",
"formula_reduced": "CdH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.349114261363637,
"spacegroup": 1
},
{
"id": "jvasp-112196",
"created_at": "2022-09-04T14:38:45.813416Z",
"updated_at": "2022-09-04T14:38:45.813427Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.019901 0.110565 0.402712\n0.895008 4.249393 0.273169\n-0.085899 0.083105 13.094470\nCd H C O\n1 14 9 4\ndirect\n0.960363 0.093518 0.813894 Cd\n0.548927 0.171730 0.451171 H\n0.224701 0.769371 0.169128 H\n0.661677 0.718288 0.126766 H\n0.403143 0.715105 0.362869 H\n0.832440 0.666244 0.313927 H\n0.970108 0.116009 0.395295 H\n0.030929 0.591384 0.489706 H\n0.207748 0.271967 0.084499 H\n0.645560 0.206396 0.046651 H\n0.358022 0.243746 0.268261 H\n0.790333 0.186311 0.222931 H\n0.403944 0.819866 0.547618 H\n0.402274 0.461027 0.619053 H\n0.011441 0.244826 0.565270 H\n0.325087 0.570972 0.961015 C\n0.415006 0.394601 0.062229 C\n0.461366 0.589461 0.150586 C\n0.560537 0.371320 0.245060 C\n0.859995 0.437161 0.518287 C\n0.750461 0.297731 0.425972 C\n0.565220 0.619682 0.588556 C\n0.675341 0.743007 0.681683 C\n0.632968 0.535628 0.337405 C\n0.110337 0.841502 0.963044 O\n0.936344 0.588205 0.725935 O\n0.510644 0.013307 0.714537 O\n0.450052 0.438584 0.877841 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.228912416338788,
"density_atomic": 0.12586030399409573,
"volume": 222.46887311914895,
"volume_molar": 4.784781673721769,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.4795340625,
"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-116847",
"created_at": "2022-09-04T14:38:45.935097Z",
"updated_at": "2022-09-04T14:38:45.935113Z",
"structure_string": "Fe6 O7 F5\n1.0\n4.559250 -0.012815 0.229369\n0.322093 5.334062 0.545042\n0.023966 -0.043786 7.478749\nFe O F\n6 7 5\ndirect\n0.541579 0.841157 0.659592 Fe\n0.530566 0.501232 0.009018 Fe\n0.491028 0.169465 0.333971 Fe\n0.000476 0.319432 0.676516 Fe\n0.989651 0.664598 0.313147 Fe\n0.958766 0.000218 -0.001729 Fe\n0.306305 0.467393 0.232553 O\n0.298877 0.129576 0.568040 O\n0.695316 0.872437 0.420923 O\n0.702803 0.207584 0.104221 O\n0.793154 0.706236 0.089636 O\n0.807830 0.033424 0.776866 O\n0.699800 0.529188 0.776510 O\n0.186691 0.627370 0.566245 F\n0.793788 0.366624 0.436406 F\n0.292865 0.797159 0.902532 F\n0.194742 0.972556 0.219209 F\n0.215765 0.294333 0.916341 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.946055366873325,
"density_atomic": 0.09890921846876258,
"volume": 181.98505941774016,
"volume_molar": 6.08855357794775,
"formula_full": "Fe6 O7 F5",
"formula_reduced": "Fe6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.4714677173611106,
"spacegroup": 1
},
{
"id": "jvasp-113161",
"created_at": "2022-09-04T14:38:46.001415Z",
"updated_at": "2022-09-04T14:38:46.001439Z",
"structure_string": "Li2 Fe2 P2 H4 O10\n1.0\n4.793963 -0.168261 0.006898\n-0.186947 5.247021 -1.983614\n0.040376 -0.914026 8.851985\nLi Fe P H O\n2 2 2 4 10\ndirect\n0.062821 0.078700 0.370604 Li\n0.581344 0.399713 0.604591 Li\n0.512567 0.511174 0.013062 Fe\n0.011816 -0.013883 0.975367 Fe\n0.589787 0.160288 0.211930 P\n0.082978 0.348118 0.773187 P\n0.007736 0.557365 0.213485 H\n0.493499 0.805475 0.807998 H\n0.657889 -0.021717 0.732486 H\n0.253516 0.630890 0.340164 H\n0.210839 0.643658 0.880936 O\n0.270083 0.153314 0.202042 O\n0.760490 0.332397 0.778318 O\n0.710341 0.263303 0.388734 O\n0.197163 0.241328 0.596882 O\n0.668447 0.817437 0.750979 O\n0.172506 0.688572 0.262572 O\n0.723441 0.326129 0.121556 O\n0.202034 0.202585 0.872867 O\n0.701899 0.875147 0.102237 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 2.731578570769716,
"density_atomic": 0.09358652443683248,
"volume": 213.70598085944818,
"volume_molar": 6.434837489947313,
"formula_full": "Li2 Fe2 P2 H4 O10",
"formula_reduced": "LiFePH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.73921585,
"spacegroup": 1
},
{
"id": "jvasp-112183",
"created_at": "2022-09-04T14:38:46.122268Z",
"updated_at": "2022-09-04T14:38:46.122282Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.988001 0.054911 0.806480\n0.787536 4.336349 0.360532\n0.232934 0.308282 13.881708\nCd H C O\n1 14 9 4\ndirect\n0.187647 0.340570 0.171143 Cd\n0.663120 0.533267 0.612429 H\n0.116769 0.027602 0.883399 H\n0.736907 0.079721 0.837001 H\n0.480561 0.028462 0.702990 H\n0.091152 0.100157 0.661032 H\n0.272584 0.613635 0.571144 H\n0.846464 0.996069 0.517909 H\n-0.003237 0.514811 0.969414 H\n0.629461 0.558758 0.920609 H\n0.340662 0.534200 0.793340 H\n0.960059 0.591395 0.747561 H\n0.892292 0.509522 0.425021 H\n0.505276 0.696712 0.385126 H\n0.436356 0.128693 0.488548 H\n0.576506 0.853609 0.034451 C\n0.794364 0.692192 0.944946 C\n0.944322 0.902140 0.859169 C\n0.136775 0.715811 0.770545 C\n0.622650 0.919233 0.502618 C\n0.464309 0.724822 0.592058 C\n0.728780 0.733356 0.411250 C\n0.799365 0.134475 0.279016 C\n0.293205 0.912646 0.681881 C\n0.441932 0.137831 0.023147 O\n0.487880 0.233231 0.303142 O\n0.948459 0.881432 0.328703 O\n0.534173 0.699924 0.119084 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.079932831161927,
"density_atomic": 0.11744785326618705,
"volume": 238.4036763663958,
"volume_molar": 5.127501774214004,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.481489419642857,
"spacegroup": 1
},
{
"id": "jvasp-112205",
"created_at": "2022-09-04T14:38:46.050349Z",
"updated_at": "2022-09-04T14:38:46.050377Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.824011 -0.115639 0.035684\n-0.175957 5.127809 -0.396243\n0.154558 0.054137 15.867750\nH Pb C O\n20 1 12 4\ndirect\n0.867091 0.578983 0.400962 H\n0.399943 0.293101 0.498145 H\n0.486597 0.173797 0.884434 H\n0.908171 0.452161 0.002262 H\n0.851537 0.422243 0.767353 H\n0.279497 0.311614 0.760184 H\n0.110936 0.609803 0.627704 H\n0.549933 0.563117 0.649381 H\n0.365061 0.804645 0.493850 H\n0.805028 0.811112 0.524750 H\n0.561093 0.018039 0.360650 H\n0.003874 0.092854 0.385626 H\n0.381742 0.307209 0.984888 H\n0.940582 0.930554 0.001434 H\n0.071527 0.876415 0.771170 H\n0.503245 0.798667 0.790491 H\n0.235714 0.088288 0.628555 H\n0.669881 0.060444 0.660140 H\n0.439508 0.482498 0.366098 H\n0.843343 0.303752 0.525731 H\n0.408572 0.819925 0.123617 Pb\n0.465202 0.363405 0.921864 C\n0.848864 0.462992 0.935567 C\n0.134454 0.460822 0.883857 C\n0.121605 0.466506 0.789458 C\n0.263046 0.728017 0.756323 C\n0.342942 0.701149 0.661203 C\n0.738826 0.161017 0.395661 C\n0.569404 0.923664 0.530001 C\n0.638364 0.183678 0.489975 C\n0.714580 0.430663 0.361164 C\n0.825806 0.481978 0.272273 C\n0.454380 0.958464 0.622936 C\n0.944226 0.009067 0.059711 O\n0.031264 0.669807 0.256460 O\n0.408187 0.144966 0.228663 O\n0.674997 0.348469 0.205414 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.326066639510703,
"density_atomic": 0.11901502115096443,
"volume": 310.88512729050734,
"volume_molar": 5.059983774956629,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.674538238378379,
"spacegroup": 1
},
{
"id": "jvasp-113073",
"created_at": "2022-09-04T14:38:46.303649Z",
"updated_at": "2022-09-04T14:38:46.303680Z",
"structure_string": "Na3 Pr3 F12\n1.0\n5.546409 -0.001541 2.613346\n1.842028 6.113416 3.261579\n-0.002577 -0.022819 7.180259\nNa Pr F\n3 3 12\ndirect\n0.667540 0.475081 0.173899 Na\n0.662485 0.997809 0.688640 Na\n0.330248 0.424342 0.912125 Na\n0.003161 0.993682 0.002904 Pr\n0.997238 0.493343 0.510035 Pr\n0.335757 0.916517 0.413382 Pr\n0.593554 0.164715 0.202884 F\n0.588986 0.704543 0.668053 F\n0.369677 0.535022 0.505574 F\n0.372315 0.001612 0.034418 F\n0.750973 0.237958 0.751089 F\n0.982670 0.376963 0.889908 F\n0.971746 0.882959 0.390478 F\n0.043427 0.812493 0.775296 F\n0.279055 0.124569 0.629907 F\n0.261186 0.618425 0.133899 F\n0.755670 0.727737 0.236232 F\n0.034306 0.274235 0.319280 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Pr",
"F"
],
"chemical_system": "F-Na-Pr",
"density": 4.9011576732114595,
"density_atomic": 0.07382217121494676,
"volume": 243.82918713660843,
"volume_molar": 8.157631590739095,
"formula_full": "Na3 Pr3 F12",
"formula_reduced": "NaPrF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 1
}
]
}