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=volume_molar&page=453",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=451",
"results": [
{
"id": "jvasp-43306",
"created_at": "2022-09-04T14:36:08.638521Z",
"updated_at": "2022-09-04T14:36:08.638545Z",
"structure_string": "Ni4 P2 O10\n1.0\n0.000000 5.327171 -0.000000\n2.663585 -2.663585 5.900111\n5.327171 0.000000 0.000000\nNi P O\n4 2 10\ndirect\n0.499999 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.499999 0.500000 0.500000 Ni\n0.124999 0.750000 0.125001 P\n0.875000 0.250000 0.875000 P\n0.805221 0.110440 0.189687 O\n0.300126 0.610440 0.194780 O\n0.375000 0.250000 0.375000 O\n0.810312 0.610440 0.194780 O\n0.194778 0.889560 0.300128 O\n0.805221 0.110440 0.699873 O\n0.699873 0.389560 0.805221 O\n0.189687 0.389560 0.805221 O\n0.624999 0.750000 0.625001 O\n0.194778 0.889560 0.810314 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 4.529403728955344,
"density_atomic": 0.09555788417136532,
"volume": 167.43778013446772,
"volume_molar": 6.302086753198102,
"formula_full": "Ni4 P2 O10",
"formula_reduced": "Ni2PO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.305167225,
"spacegroup": 141
},
{
"id": "jvasp-47578",
"created_at": "2022-09-04T14:36:40.586565Z",
"updated_at": "2022-09-04T14:36:40.586588Z",
"structure_string": "Li2 Ti3 Co1 O8\n1.0\n5.882892 -0.040103 -0.028357\n2.906716 5.114786 -0.028357\n2.906716 1.678193 4.831718\nLi Ti Co O\n2 3 1 8\ndirect\n0.119334 0.119334 0.119334 Li\n0.500118 0.500117 0.500117 Li\n0.007416 0.498607 0.498607 Ti\n0.498607 0.498608 0.007415 Ti\n0.498607 0.007415 0.498607 Ti\n0.882922 0.882922 0.882920 Co\n0.258677 0.258677 0.258676 O\n0.251714 0.711903 0.251713 O\n0.251714 0.251713 0.711902 O\n0.711902 0.251714 0.251713 O\n0.282657 0.746582 0.746582 O\n0.746582 0.746583 0.282655 O\n0.746583 0.282656 0.746582 O\n0.743175 0.743175 0.743174 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 3.903416900772412,
"density_atomic": 0.09555344834439368,
"volume": 146.51485888338857,
"volume_molar": 6.302379311623589,
"formula_full": "Li2 Ti3 Co1 O8",
"formula_reduced": "Li2Ti3CoO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.935572421428571,
"spacegroup": 160
},
{
"id": "jvasp-112444",
"created_at": "2022-09-04T14:38:40.350964Z",
"updated_at": "2022-09-04T14:38:40.350984Z",
"structure_string": "Fe6 O7 F5\n1.0\n5.093179 0.041074 2.066543\n1.362852 4.907626 2.066543\n0.057721 0.044244 7.590324\nFe O F\n6 7 5\ndirect\n0.667812 0.667812 0.832574 Fe\n0.338881 0.338881 0.649815 Fe\n0.650858 0.650858 0.335327 Fe\n0.348675 0.348675 0.187307 Fe\n0.997006 0.997006 0.500270 Fe\n0.003028 0.003028 0.003657 Fe\n0.308976 0.704352 -0.000302 O\n0.704352 0.308976 -0.000302 O\n0.029791 0.634187 0.663860 O\n0.432302 0.432302 0.372158 O\n0.958619 0.362715 0.335596 O\n0.634187 0.029790 0.663860 O\n0.362715 0.958619 0.335596 O\n0.772918 0.772918 0.027558 F\n0.889363 0.889362 0.300648 F\n0.238512 0.238511 0.954203 F\n0.567030 0.567030 0.638244 F\n0.094973 0.094973 0.699925 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.7782311239638435,
"density_atomic": 0.09555313701090742,
"volume": 188.3768609077198,
"volume_molar": 6.302399846184611,
"formula_full": "Fe6 O7 F5",
"formula_reduced": "Fe6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.4698516062499998,
"spacegroup": 8
},
{
"id": "jvasp-10654",
"created_at": "2022-09-04T14:37:07.435992Z",
"updated_at": "2022-09-04T14:37:07.436017Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n5.916533 0.001086 0.000768\n2.959208 5.125498 -0.000000\n2.959208 1.708500 4.832364\nMg Cr O\n2 4 8\ndirect\n0.989915 0.003362 0.003362 Mg\n0.121619 0.626127 0.626126 Mg\n0.260869 0.246377 0.246377 Cr\n0.628071 0.120236 0.625846 Cr\n0.628071 0.625847 0.120236 Cr\n0.628071 0.625847 0.625846 Cr\n0.391561 0.376634 0.376633 O\n0.391561 0.376634 0.855171 O\n0.391561 0.855172 0.376633 O\n0.852074 0.382643 0.382642 O\n0.406943 0.864353 0.864352 O\n0.853228 0.408573 0.869100 O\n0.853228 0.869101 0.408572 O\n0.853228 0.869101 0.869100 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.358656837650552,
"density_atomic": 0.09555074555816018,
"volume": 146.5190032607169,
"volume_molar": 6.302557583220972,
"formula_full": "Mg2 Cr4 O8",
"formula_reduced": "MgCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6640054071428576,
"spacegroup": 160
},
{
"id": "jvasp-58408",
"created_at": "2022-09-04T14:37:37.888399Z",
"updated_at": "2022-09-04T14:37:37.888423Z",
"structure_string": "Na2 Al2 P2 O8 F2\n1.0\n5.067300 -0.013886 -1.388030\n-1.711965 4.769371 -1.388030\n0.001402 0.001986 6.934571\nNa Al P O F\n2 2 2 8 2\ndirect\n0.332050 0.667952 0.750000 Na\n0.667951 0.332049 0.250000 Na\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.682807 0.317193 0.750000 P\n0.317194 0.682807 0.250000 P\n0.304828 0.885769 0.122304 O\n0.114231 0.695173 0.377696 O\n0.238581 0.378923 0.096933 O\n0.621077 0.761419 0.403067 O\n0.761419 0.621077 0.903067 O\n0.378923 0.238581 0.596933 O\n0.695173 0.114231 0.877696 O\n0.885769 0.304827 0.622304 O\n0.929458 0.070541 0.250000 F\n0.070542 0.929459 0.750000 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Al",
"P",
"O",
"F"
],
"chemical_system": "Al-F-Na-O-P",
"density": 3.2513545350538253,
"density_atomic": 0.09554708559444527,
"volume": 167.45670368129132,
"volume_molar": 6.302799004839666,
"formula_full": "Na2 Al2 P2 O8 F2",
"formula_reduced": "NaAlPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.5991476978125,
"spacegroup": 15
},
{
"id": "jvasp-74947",
"created_at": "2022-09-04T14:35:54.018486Z",
"updated_at": "2022-09-04T14:35:54.018507Z",
"structure_string": "Be2 Zn1 Cu1\n1.0\n2.766287 0.000000 -0.000000\n0.000000 2.766287 0.000000\n-0.000000 0.000000 5.470896\nBe Zn Cu\n2 1 1\ndirect\n0.000000 0.000000 0.773709 Be\n0.000000 0.000000 0.226291 Be\n0.500001 0.500001 0.500000 Zn\n0.500001 0.500001 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Cu"
],
"chemical_system": "Be-Cu-Zn",
"density": 5.829784894425049,
"density_atomic": 0.09554480109706254,
"volume": 41.8651769020531,
"volume_molar": 6.302949706161613,
"formula_full": "Be2 Zn1 Cu1",
"formula_reduced": "Be2ZnCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6530143214285716,
"spacegroup": 123
},
{
"id": "jvasp-70420",
"created_at": "2022-09-04T14:36:17.499165Z",
"updated_at": "2022-09-04T14:36:17.499187Z",
"structure_string": "Be2 Zn1 Cu1\n1.0\n2.765958 0.000000 0.000000\n0.000000 2.765958 0.000000\n-0.000000 0.000000 5.472426\nBe Zn Cu\n2 1 1\ndirect\n0.000000 0.000000 0.773721 Be\n0.000000 0.000000 0.226280 Be\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Cu"
],
"chemical_system": "Be-Cu-Zn",
"density": 5.829541538194486,
"density_atomic": 0.09554081271274545,
"volume": 41.866924578362806,
"volume_molar": 6.303212824980112,
"formula_full": "Be2 Zn1 Cu1",
"formula_reduced": "Be2ZnCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6530093214285716,
"spacegroup": 123
},
{
"id": "jvasp-46737",
"created_at": "2022-09-04T14:37:59.191262Z",
"updated_at": "2022-09-04T14:37:59.191280Z",
"structure_string": "Li5 Si2 Ni1 O8\n1.0\n3.643598 3.691907 0.017257\n-3.643598 3.691907 -0.017257\n0.028912 0.000000 6.224909\nLi Si Ni O\n5 2 1 8\ndirect\n0.172507 0.792947 0.490914 Li\n0.692159 0.692159 0.750000 Li\n0.331377 0.331377 0.250000 Li\n0.681185 0.681186 0.250000 Li\n0.792947 0.172507 0.009086 Li\n0.170169 0.816822 0.004626 Si\n0.816821 0.170170 0.495374 Si\n0.322252 0.322253 0.750000 Ni\n0.303530 0.688544 0.779947 O\n0.304608 0.699670 0.216782 O\n0.139226 0.225327 0.509493 O\n0.801204 0.858478 0.501063 O\n0.225327 0.139226 0.990508 O\n0.858478 0.801204 0.998938 O\n0.688543 0.303531 0.720053 O\n0.699670 0.304608 0.283218 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 2.7521906635894915,
"density_atomic": 0.09554001961472824,
"volume": 167.46908849842308,
"volume_molar": 6.303265149290006,
"formula_full": "Li5 Si2 Ni1 O8",
"formula_reduced": "Li5Si2NiO8",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.198862975,
"spacegroup": 5
},
{
"id": "jvasp-96874",
"created_at": "2022-09-04T14:35:59.599837Z",
"updated_at": "2022-09-04T14:35:59.599867Z",
"structure_string": "Cu2 H24 N4 Cl8 O4\n1.0\n7.478141 0.000000 0.000000\n-0.000000 7.478141 0.000000\n0.000000 0.000000 7.861199\nCu H N Cl O\n2 24 4 8 4\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.075750 0.415290 0.174041 H\n0.924250 0.584710 0.174041 H\n0.575750 0.084710 0.674041 H\n0.424250 0.915290 0.674041 H\n0.924250 0.584710 0.825959 H\n0.424250 0.915290 0.325959 H\n0.575750 0.084710 0.325959 H\n0.415290 0.075750 0.174041 H\n0.584710 0.924250 0.174041 H\n0.084710 0.575750 0.674041 H\n0.915290 0.424250 0.674041 H\n0.075750 0.415290 0.825959 H\n0.415290 0.075750 0.825959 H\n0.915290 0.424250 0.325959 H\n0.084710 0.575750 0.325959 H\n0.077199 0.077199 0.322294 H\n0.922801 0.922801 0.322294 H\n0.422801 0.577199 0.822295 H\n0.577199 0.422801 0.822295 H\n0.922801 0.922801 0.677706 H\n0.077199 0.077199 0.677706 H\n0.577199 0.422801 0.177706 H\n0.422801 0.577199 0.177706 H\n0.584710 0.924250 0.825959 H\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.500000 0.000000 0.750000 N\n0.000000 0.500000 0.250000 N\n0.280615 0.719384 0.500000 Cl\n0.719384 0.280615 0.500000 Cl\n0.219384 0.219384 0.000000 Cl\n0.780615 0.780615 0.000000 Cl\n0.279832 0.720168 0.000000 Cl\n0.720168 0.279832 0.000000 Cl\n0.220168 0.220168 0.500000 Cl\n0.779832 0.779832 0.500000 Cl\n0.500000 0.500000 0.748302 O\n0.500000 0.500000 0.251698 O\n0.000000 0.000000 0.751698 O\n0.000000 0.000000 0.248302 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"Cu",
"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-N-O",
"density": 2.096099832787508,
"density_atomic": 0.0955373522979661,
"volume": 439.6186307216109,
"volume_molar": 6.303441130771431,
"formula_full": "Cu2 H24 N4 Cl8 O4",
"formula_reduced": "CuH12N2(Cl2O)2",
"formula_anonymous": "AB2C2D4E12",
"energy_above_hull": 2.7422247723809523,
"spacegroup": 136
},
{
"id": "jvasp-74368",
"created_at": "2022-09-04T14:35:59.378769Z",
"updated_at": "2022-09-04T14:35:59.378794Z",
"structure_string": "Be2 Ga1 Ni1\n1.0\n2.850721 0.000000 0.000000\n0.000000 2.850721 0.000000\n-0.000000 0.000000 5.152026\nBe Ga Ni\n2 1 1\ndirect\n0.000000 0.000000 -0.000270 Be\n0.500000 0.500000 0.215266 Be\n0.000000 0.000000 0.498228 Ga\n0.500000 0.500000 0.786778 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Ni"
],
"chemical_system": "Be-Ga-Ni",
"density": 5.807959876037107,
"density_atomic": 0.09553720141480468,
"volume": 41.86850714448655,
"volume_molar": 6.303451085879092,
"formula_full": "Be2 Ga1 Ni1",
"formula_reduced": "Be2GaNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.04145423125,
"spacegroup": 99
},
{
"id": "jvasp-93799",
"created_at": "2022-09-04T14:36:11.307216Z",
"updated_at": "2022-09-04T14:36:11.307237Z",
"structure_string": "Re2 N4\n1.0\n0.000000 0.000000 2.835179\n3.861840 2.867977 0.000000\n-3.861840 2.867977 0.000000\nRe N\n2 4\ndirect\n0.000000 0.000000 0.500000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.312054 0.687947 N\n0.500000 0.687947 0.312054 N\n0.000000 0.886587 0.886587 N\n0.000000 0.113415 0.113415 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 11.328163256437172,
"density_atomic": 0.09553683081457218,
"volume": 62.803004337096176,
"volume_molar": 6.3034755378147285,
"formula_full": "Re2 N4",
"formula_reduced": "ReN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.165851499999999,
"spacegroup": 65
},
{
"id": "jvasp-71566",
"created_at": "2022-09-04T14:36:02.090168Z",
"updated_at": "2022-09-04T14:36:02.090191Z",
"structure_string": "Be2 Cr1 Rh1\n1.0\n2.704106 0.000000 0.000000\n0.000000 2.704106 0.000000\n-0.000000 0.000000 5.726104\nBe Cr Rh\n2 1 1\ndirect\n0.000000 0.000000 0.731809 Be\n0.000000 0.000000 0.268190 Be\n0.500001 0.500001 0.000000 Cr\n0.500001 0.500001 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Rh"
],
"chemical_system": "Be-Cr-Rh",
"density": 6.8580815914857585,
"density_atomic": 0.09553298243117399,
"volume": 41.8703561660683,
"volume_molar": 6.303729462584931,
"formula_full": "Be2 Cr1 Rh1",
"formula_reduced": "Be2CrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.79433065,
"spacegroup": 123
}
]
}