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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4095",
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"results": [
{
"id": "jvasp-59261",
"created_at": "2022-09-04T14:38:12.922807Z",
"updated_at": "2022-09-04T14:38:12.922833Z",
"structure_string": "Si4 P4 N12\n1.0\n9.414767 0.008066 0.013798\n0.004187 5.300650 -0.049043\n0.004187 -2.643470 4.594710\nSi P N\n4 4 12\ndirect\n0.750876 0.326839 0.006205 Si\n0.250876 0.006205 0.326838 Si\n0.002618 0.997558 0.680756 Si\n0.502618 0.680756 0.997558 Si\n0.748752 0.989310 0.326779 P\n0.497291 0.004599 0.662377 P\n0.248752 0.326778 0.989309 P\n0.997291 0.662378 0.004600 P\n0.966685 0.750513 0.773773 N\n0.921635 0.898636 0.338960 N\n0.177869 0.094554 0.665383 N\n0.677869 0.665384 0.094554 N\n0.671898 0.085110 0.656746 N\n0.466684 0.773773 0.750512 N\n0.428320 0.922124 0.340994 N\n0.421635 0.338960 0.898635 N\n0.217762 0.250285 0.228516 N\n0.171897 0.656746 0.085109 N\n0.717762 0.228517 0.250285 N\n0.928320 0.340995 0.922124 N\n",
"nsites": 20,
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{
"id": "jvasp-51767",
"created_at": "2022-09-04T14:36:40.338208Z",
"updated_at": "2022-09-04T14:36:40.338232Z",
"structure_string": "Mn2 H4 S2 O10\n1.0\n3.069704 3.946828 -1.607439\n-3.069704 3.946828 1.607439\n0.115112 0.000000 7.809456\nMn H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.414052 0.149789 0.790717 H\n0.149789 0.414052 0.709283 H\n0.585948 0.850211 0.209283 H\n0.850211 0.585948 0.290717 H\n0.841488 0.841489 0.750000 S\n0.158512 0.158512 0.250000 S\n0.377316 0.162601 0.163127 O\n0.162601 0.377316 0.336873 O\n0.622684 0.837399 0.836873 O\n0.837399 0.622685 0.663127 O\n0.113176 0.782077 0.899446 O\n0.886824 0.217924 0.100554 O\n0.782076 0.113177 0.600554 O\n0.354442 0.354442 0.750000 O\n0.217924 0.886824 0.399446 O\n0.645558 0.645558 0.250000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"S",
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],
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"density": 2.943553759077863,
"density_atomic": 0.09439255839429289,
"volume": 190.69299853926097,
"volume_molar": 6.3798893286105764,
"formula_full": "Mn2 H4 S2 O10",
"formula_reduced": "MnH2SO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.918173860153256,
"spacegroup": 15
},
{
"id": "jvasp-99588",
"created_at": "2022-09-04T14:36:33.990966Z",
"updated_at": "2022-09-04T14:36:33.990987Z",
"structure_string": "Li1 Co1 C2 O6\n1.0\n4.318944 -0.225132 1.676964\n1.639446 4.002022 1.676964\n-0.089603 -0.056798 5.890433\nLi Co C O\n1 1 2 6\ndirect\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.557276 0.557276 0.212467 C\n0.442725 0.442724 0.787531 C\n0.240324 0.687427 0.271566 O\n0.312574 0.759676 0.728432 O\n0.734720 0.734720 0.096712 O\n0.265281 0.265279 0.903286 O\n0.687427 0.240324 0.271566 O\n0.759677 0.312573 0.728432 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Co",
"C",
"O"
],
"chemical_system": "C-Co-Li-O",
"density": 2.9432451838354123,
"density_atomic": 0.09534911277042447,
"volume": 104.8777456805221,
"volume_molar": 6.31588547079586,
"formula_full": "Li1 Co1 C2 O6",
"formula_reduced": "LiCo(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.52186219,
"spacegroup": 12
},
{
"id": "jvasp-46718",
"created_at": "2022-09-04T14:38:00.652506Z",
"updated_at": "2022-09-04T14:38:00.652533Z",
"structure_string": "Li1 Fe2 P2 O8\n1.0\n2.397278 1.979262 -4.054612\n-2.397278 4.511628 -0.050636\n4.787206 2.525916 3.993778\nLi Fe P O\n1 2 2 8\ndirect\n0.501618 0.501618 -0.000000 Li\n0.991195 0.991194 -0.000000 Fe\n0.510356 0.510356 0.500000 Fe\n0.485063 0.013401 0.252222 P\n0.013401 0.485063 0.747779 P\n0.561130 0.706672 0.254610 O\n0.136498 0.574697 0.554997 O\n0.626606 0.121375 0.067880 O\n0.185804 0.085589 0.223899 O\n0.085589 0.185804 0.776102 O\n0.121376 0.626606 0.932121 O\n0.574696 0.136498 0.445004 O\n0.706672 0.561129 0.745390 O\n",
"nsites": 13,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.9432004986718643,
"density_atomic": 0.0746715491635254,
"volume": 174.09575863400022,
"volume_molar": 8.064839724714883,
"formula_full": "Li1 Fe2 P2 O8",
"formula_reduced": "LiFe2(PO4)2",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 5
},
{
"id": "jvasp-29601",
"created_at": "2022-09-04T14:38:17.955201Z",
"updated_at": "2022-09-04T14:38:17.955228Z",
"structure_string": "Cr6 Cl18\n1.0\n5.972620 -0.000000 -0.000000\n-2.986310 5.172440 0.000000\n0.000000 0.000000 17.352296\nCr Cl\n6 18\ndirect\n0.999836 0.000164 0.666667 Cr\n0.666506 0.333494 0.666667 Cr\n0.999836 0.999673 0.333333 Cr\n0.666506 0.333011 0.333333 Cr\n0.666989 0.333494 0.000000 Cr\n0.000327 0.000164 0.000000 Cr\n0.333164 0.018458 0.589912 Cl\n0.684803 0.666822 0.589911 Cl\n0.684803 0.017981 0.410089 Cl\n0.333658 0.315136 0.076771 Cl\n0.982019 0.666822 0.076756 Cl\n0.981478 0.666343 0.410104 Cl\n0.982019 0.315197 0.923244 Cl\n0.684864 0.018522 0.743438 Cl\n0.981542 0.666836 0.743422 Cl\n0.333164 0.314706 0.410088 Cl\n0.981542 0.314706 0.256578 Cl\n0.333178 0.315197 0.743423 Cl\n0.333178 0.017981 0.256577 Cl\n0.685294 0.018458 0.076755 Cl\n0.981478 0.315136 0.589896 Cl\n0.685294 0.666836 0.923245 Cl\n0.684864 0.666343 0.256562 Cl\n0.333658 0.018522 0.923229 Cl\n",
"nsites": 24,
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"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 2.943168383696843,
"density_atomic": 0.04477070657813781,
"volume": 536.0648029557691,
"volume_molar": 13.45107374950544,
"formula_full": "Cr6 Cl18",
"formula_reduced": "CrCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.981834900625,
"spacegroup": 162
},
{
"id": "jvasp-69186",
"created_at": "2022-09-04T14:35:43.541548Z",
"updated_at": "2022-09-04T14:35:43.541578Z",
"structure_string": "Ba1 Na2 P1\n1.0\n4.252109 0.000000 0.000000\n0.000000 4.252109 0.000000\n-0.000000 0.000000 6.686664\nBa Na P\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.813826 Na\n0.000000 0.000000 0.186173 Na\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
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"elements": [
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"Na",
"P"
],
"chemical_system": "Ba-Na-P",
"density": 2.943154533994967,
"density_atomic": 0.033085805539669,
"volume": 120.89776672368176,
"volume_molar": 18.201584219491387,
"formula_full": "Ba1 Na2 P1",
"formula_reduced": "BaNa2P",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-30217",
"created_at": "2022-09-04T14:37:28.052751Z",
"updated_at": "2022-09-04T14:37:28.052778Z",
"structure_string": "Ga2 H10 N4 F4\n1.0\n-0.000000 5.909071 0.000000\n-5.422027 2.954535 -0.165196\n0.140043 0.000000 4.962544\nGa H N F\n2 10 4 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.888656 0.222687 0.570030 H\n0.952037 0.390014 0.795043 H\n0.365325 0.269349 0.923232 H\n0.270883 0.458235 0.656164 H\n0.657950 0.390014 0.795043 H\n0.634675 0.730652 0.076766 H\n0.342050 0.609987 0.204956 H\n0.047964 0.609987 0.204956 H\n0.111344 0.777314 0.429969 H\n0.729117 0.541766 0.343835 H\n0.642025 0.715952 0.280066 N\n0.144560 0.710880 0.231360 N\n0.855440 0.289121 0.768638 N\n0.357975 0.284049 0.719932 N\n0.157906 0.157442 0.241453 F\n0.315348 0.842559 0.758545 F\n0.842094 0.842559 0.758545 F\n0.684652 0.157442 0.241453 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"H",
"N",
"F"
],
"chemical_system": "F-Ga-H-N",
"density": 2.942974374282776,
"density_atomic": 0.1258978477773937,
"volume": 158.8589507531773,
"volume_molar": 4.783354812107708,
"formula_full": "Ga2 H10 N4 F4",
"formula_reduced": "GaH5(NF)2",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.590975939,
"spacegroup": 12
},
{
"id": "jvasp-33602",
"created_at": "2022-09-04T14:38:02.073715Z",
"updated_at": "2022-09-04T14:38:02.073742Z",
"structure_string": "Mo2 H4 Cl4 O6\n1.0\n9.110781 0.000000 0.000000\n0.000000 3.884234 0.000000\n0.000000 0.000000 6.915652\nMo H Cl O\n2 4 4 6\ndirect\n0.500000 0.697080 0.810383 Mo\n0.000000 0.302919 0.310383 Mo\n0.587128 0.834384 0.409546 H\n0.412872 0.834384 0.409546 H\n0.912872 0.165615 0.909546 H\n0.087128 0.165615 0.909546 H\n0.751374 0.771614 0.749959 Cl\n0.248626 0.771614 0.749959 Cl\n0.748626 0.228385 0.249959 Cl\n0.251374 0.228385 0.249959 Cl\n0.500000 0.753649 0.480108 O\n0.000000 0.246350 0.980107 O\n0.500000 0.742368 0.052691 O\n0.000000 0.257631 0.552691 O\n0.500000 0.248815 0.780607 O\n0.000000 0.751184 0.280607 O\n",
"nsites": 16,
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"elements": [
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"H",
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],
"chemical_system": "Cl-H-Mo-O",
"density": 2.942825988566566,
"density_atomic": 0.06537713106610823,
"volume": 244.7338960747769,
"volume_molar": 9.211387318159488,
"formula_full": "Mo2 H4 Cl4 O6",
"formula_reduced": "MoH2Cl2O3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 2.532975566875,
"spacegroup": 31
},
{
"id": "jvasp-100888",
"created_at": "2022-09-04T14:36:40.309810Z",
"updated_at": "2022-09-04T14:36:40.309832Z",
"structure_string": "K3 Ce1 Br6\n1.0\n7.255464 -0.000000 4.188944\n2.418488 6.840517 4.188944\n-0.000000 -0.000000 8.377888\nK Ce Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.757144 0.242856 0.242856 Br\n0.242856 0.242856 0.757144 Br\n0.242856 0.757144 0.757144 Br\n0.242856 0.757144 0.242855 Br\n0.757144 0.242856 0.757144 Br\n0.757144 0.757144 0.242855 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.9425958428479957,
"density_atomic": 0.0240497923911386,
"volume": 415.8040051807102,
"volume_molar": 25.04030247770006,
"formula_full": "K3 Ce1 Br6",
"formula_reduced": "K3CeBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38171",
"created_at": "2022-09-04T14:37:52.510198Z",
"updated_at": "2022-09-04T14:37:52.510224Z",
"structure_string": "Rb6 Ac2\n1.0\n4.566127 -7.908763 -0.000000\n4.566127 7.908763 -0.000000\n0.000000 -0.000000 7.553980\nRb Ac\n6 2\ndirect\n0.659822 0.829911 0.250000 Rb\n0.170090 0.829911 0.250000 Rb\n0.170089 0.340179 0.250000 Rb\n0.340179 0.170089 0.750000 Rb\n0.829911 0.170090 0.750000 Rb\n0.829911 0.659822 0.750000 Rb\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.942567402451156,
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"volume": 545.5849405241215,
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"formula_full": "Rb6 Ac2",
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"spacegroup": 194
},
{
"id": "jvasp-91420",
"created_at": "2022-09-04T14:35:46.465794Z",
"updated_at": "2022-09-04T14:35:46.465813Z",
"structure_string": "Rb8 Li4 Nb4 S16\n1.0\n7.041695 0.043767 0.291883\n1.168688 10.789806 3.592270\n0.051034 0.006479 11.867612\nRb Li Nb S\n8 4 4 16\ndirect\n0.265482 0.371978 0.278110 Rb\n0.734519 0.628023 0.721889 Rb\n0.749500 0.156197 0.856334 Rb\n0.751747 0.651547 0.348109 Rb\n0.250500 0.843804 0.143665 Rb\n0.675466 0.098304 0.251823 Rb\n0.324534 0.901696 0.748177 Rb\n0.248253 0.348454 0.651891 Rb\n0.171084 0.009438 0.414394 Li\n0.783651 0.480603 0.071386 Li\n0.828916 0.990563 0.585605 Li\n0.216349 0.519398 0.928614 Li\n0.776769 0.274682 0.485938 Nb\n0.223231 0.725319 0.514062 Nb\n0.211578 0.229205 0.013202 Nb\n0.788423 0.770796 0.986797 Nb\n0.266098 0.101093 0.898369 S\n0.454786 0.856813 0.465290 S\n0.160576 0.115651 0.206984 S\n0.061115 0.146563 0.532168 S\n0.958472 0.376320 0.935533 S\n0.533698 0.661745 0.993905 S\n0.733902 0.898907 0.101631 S\n0.041529 0.623681 0.064466 S\n0.240331 0.619275 0.713297 S\n0.938885 0.853438 0.467831 S\n0.746900 0.404429 0.599367 S\n0.253100 0.595572 0.400633 S\n0.759669 0.380726 0.286702 S\n0.466302 0.338256 0.006094 S\n0.545214 0.143188 0.534709 S\n0.839424 0.884350 0.793015 S\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Li",
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"S"
],
"chemical_system": "Li-Nb-Rb-S",
"density": 2.9425144246875976,
"density_atomic": 0.03552546857969608,
"volume": 900.7622215654321,
"volume_molar": 16.95161527986669,
"formula_full": "Rb8 Li4 Nb4 S16",
"formula_reduced": "Rb2LiNbS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.562129925,
"spacegroup": 2
},
{
"id": "jvasp-36467",
"created_at": "2022-09-04T14:37:30.080547Z",
"updated_at": "2022-09-04T14:37:30.080574Z",
"structure_string": "Ca3 Sb1 P1\n1.0\n5.360682 0.000000 0.000000\n0.000000 5.360682 0.000000\n0.000000 0.000000 5.360682\nCa Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ca-P-Sb",
"density": 2.9423905743790146,
"density_atomic": 0.03245711157629513,
"volume": 154.04944424111113,
"volume_molar": 18.554148744394855,
"formula_full": "Ca3 Sb1 P1",
"formula_reduced": "Ca3SbP",
"formula_anonymous": "ABC3",
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"spacegroup": 221
}
]
}