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=formula_full&page=866",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=864",
"results": [
{
"id": "jvasp-17761",
"created_at": "2022-09-04T14:37:29.404461Z",
"updated_at": "2022-09-04T14:37:29.404482Z",
"structure_string": "Ca3 In1\n1.0\n4.873581 -0.000000 2.813763\n1.624527 4.594856 2.813763\n0.000000 0.000000 5.627526\nCa In\n3 1\ndirect\n0.750000 0.750001 0.749999 Ca\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"In"
],
"chemical_system": "Ca-In",
"density": 3.097244170355938,
"density_atomic": 0.03174113024933823,
"volume": 126.0194570444887,
"volume_molar": 18.972672720517114,
"formula_full": "Ca3 In1",
"formula_reduced": "Ca3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0180558683333335,
"spacegroup": 225
},
{
"id": "jvasp-79198",
"created_at": "2022-09-04T14:36:38.648227Z",
"updated_at": "2022-09-04T14:36:38.648256Z",
"structure_string": "Ca3 Mg1\n1.0\n3.803423 0.000000 0.000000\n-1.901712 3.293860 -0.000000\n-0.000000 -0.000000 11.734606\nCa Mg\n3 1\ndirect\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.271110 Ca\n0.000000 0.000000 0.728890 Ca\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6326228334217208,
"density_atomic": 0.02720894572192508,
"volume": 147.01047371992746,
"volume_molar": 22.132944148392102,
"formula_full": "Ca3 Mg1",
"formula_reduced": "Ca3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0122449999999999,
"spacegroup": 187
},
{
"id": "jvasp-81990",
"created_at": "2022-09-04T14:37:12.206485Z",
"updated_at": "2022-09-04T14:37:12.206502Z",
"structure_string": "Ca3 Mg1\n1.0\n4.793970 0.000000 0.000000\n0.000000 5.407017 0.000000\n0.000000 0.000000 5.412833\nCa Mg\n3 1\ndirect\n0.000000 0.000000 -0.083367 Ca\n0.500000 0.000000 0.416647 Ca\n0.500000 0.500000 0.916696 Ca\n0.000000 0.500000 0.416689 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7106315119557043,
"density_atomic": 0.028509021806014733,
"volume": 140.30646253727633,
"volume_molar": 21.123631673428623,
"formula_full": "Ca3 Mg1",
"formula_reduced": "Ca3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0021299999999999,
"spacegroup": 123
},
{
"id": "jvasp-85040",
"created_at": "2022-09-04T14:37:15.401733Z",
"updated_at": "2022-09-04T14:37:15.401764Z",
"structure_string": "Ca3 Mg1\n1.0\n4.793970 0.000000 0.000000\n0.000000 5.407017 0.000000\n0.000000 0.000000 5.412833\nCa Mg\n3 1\ndirect\n0.000000 0.000000 -0.083367 Ca\n0.500000 0.000000 0.416647 Ca\n0.500000 0.500000 0.916696 Ca\n0.000000 0.500000 0.416689 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7106315119557043,
"density_atomic": 0.028509021806014733,
"volume": 140.30646253727633,
"volume_molar": 21.123631673428623,
"formula_full": "Ca3 Mg1",
"formula_reduced": "Ca3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0021299999999999,
"spacegroup": 123
},
{
"id": "jvasp-112698",
"created_at": "2022-09-04T14:38:41.774240Z",
"updated_at": "2022-09-04T14:38:41.774269Z",
"structure_string": "Ca3 Mg2 Fe1 C6 O18\n1.0\n4.845328 -0.003600 -0.007498\n-2.420066 5.386620 -1.022657\n0.015407 0.058882 12.384681\nCa Mg Fe C O\n3 2 1 6 18\ndirect\n0.661167 0.831896 0.831559 Ca\n0.338830 0.168103 0.168437 Ca\n-0.000002 0.500000 0.499998 Ca\n0.666590 0.834122 0.333586 Mg\n0.333407 0.165878 0.666410 Mg\n-0.000002 0.500000 -0.000002 Fe\n0.009560 0.518664 0.248927 C\n0.340610 0.184707 0.913633 C\n0.676980 0.851474 0.580794 C\n0.323018 0.148526 0.419202 C\n0.659387 0.815292 0.086363 C\n0.990437 0.481336 0.751069 C\n0.209181 0.601512 0.332091 O\n0.749290 0.530041 0.259742 O\n0.066753 0.415011 0.155947 O\n0.408806 0.094179 0.820151 O\n0.735080 0.754966 0.486556 O\n0.532885 0.264911 0.999113 O\n0.876336 0.930859 0.663853 O\n0.924961 0.812140 0.077236 O\n0.467113 0.735087 0.000883 O\n0.585006 0.140336 0.406846 O\n0.933244 0.584989 0.844050 O\n0.264917 0.245034 0.513440 O\n0.591192 0.905821 0.179846 O\n0.414992 0.859665 0.593150 O\n0.790816 0.398489 0.667906 O\n0.123661 0.069141 0.336144 O\n0.250708 0.469959 0.740254 O\n0.075036 0.187860 0.922760 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ca",
"Mg",
"Fe",
"C",
"O"
],
"chemical_system": "C-Ca-Fe-Mg-O",
"density": 3.00220277309259,
"density_atomic": 0.09275719203468334,
"volume": 323.4250556957625,
"volume_molar": 6.492370702369072,
"formula_full": "Ca3 Mg2 Fe1 C6 O18",
"formula_reduced": "Ca3Mg2Fe(CO3)6",
"formula_anonymous": "AB2C3D6E18",
"energy_above_hull": 3.3590972620000006,
"spacegroup": 2
},
{
"id": "jvasp-93325",
"created_at": "2022-09-04T14:35:46.183631Z",
"updated_at": "2022-09-04T14:35:46.183659Z",
"structure_string": "Ca3 Mg3\n1.0\n3.672440 -0.000000 0.000000\n-1.836219 3.180427 -0.000000\n0.000000 -0.000000 16.568727\nCa Mg\n3 3\ndirect\n0.333333 0.666668 0.000000 Ca\n0.000000 0.000000 0.806605 Ca\n0.000000 0.000000 0.193395 Ca\n0.333333 0.666668 0.642986 Mg\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666668 0.357014 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6573425426118773,
"density_atomic": 0.03100430263452824,
"volume": 193.52152734175812,
"volume_molar": 19.4235646290376,
"formula_full": "Ca3 Mg3",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3014865,
"spacegroup": 187
},
{
"id": "jvasp-93523",
"created_at": "2022-09-04T14:35:59.108931Z",
"updated_at": "2022-09-04T14:35:59.108970Z",
"structure_string": "Ca3 Mg3\n1.0\n3.693247 0.000000 0.000000\n-1.846624 3.198446 0.000000\n0.000000 0.000000 16.533238\nCa Mg\n3 3\ndirect\n0.333334 0.666668 0.842938 Ca\n0.000000 0.000000 0.648773 Ca\n0.333334 0.666668 0.175137 Ca\n0.000000 0.000000 0.008810 Mg\n0.333334 0.666668 0.484546 Mg\n0.000000 0.000000 0.339797 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6422386436466958,
"density_atomic": 0.03072175039053658,
"volume": 195.30137195074076,
"volume_molar": 19.60220587514128,
"formula_full": "Ca3 Mg3",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.2931865,
"spacegroup": 156
},
{
"id": "jvasp-93532",
"created_at": "2022-09-04T14:36:14.241811Z",
"updated_at": "2022-09-04T14:36:14.241832Z",
"structure_string": "Ca3 Mg3\n1.0\n3.688936 0.000000 0.000000\n-1.844468 3.194711 -0.000000\n-0.000000 -0.000000 16.456631\nCa Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.333333 Ca\n0.333333 0.666667 0.666667 Ca\n0.333333 0.666667 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.833333 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6537426707797256,
"density_atomic": 0.030936958972696174,
"volume": 193.94278556258163,
"volume_molar": 19.465845900739374,
"formula_full": "Ca3 Mg3",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.2845965,
"spacegroup": 166
},
{
"id": "jvasp-48545",
"created_at": "2022-09-04T14:36:59.477272Z",
"updated_at": "2022-09-04T14:36:59.477291Z",
"structure_string": "Ca3 Mn1 O4\n1.0\n0.000000 2.367034 2.367034\n-4.712934 2.350299 -2.350299\n-4.712934 -2.350299 2.350299\nCa Mn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.499999 -0.000000 0.500000 Ca\n0.499999 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.753250 0.753250 O\n0.499999 0.241790 0.758209 O\n0.499999 0.758209 0.241790 O\n0.000000 0.246750 0.246750 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 3.7868333667514915,
"density_atomic": 0.07628005996203423,
"volume": 104.87668735422763,
"volume_molar": 7.894777171120885,
"formula_full": "Ca3 Mn1 O4",
"formula_reduced": "Ca3MnO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.4842228126724135,
"spacegroup": 65
},
{
"id": "jvasp-10939",
"created_at": "2022-09-04T14:37:07.261614Z",
"updated_at": "2022-09-04T14:37:07.261642Z",
"structure_string": "Ca3 Mn2 Ga2 O10\n1.0\n5.342267 -0.027068 0.010486\n-0.075295 5.621336 0.007361\n-2.513770 -2.605527 6.944345\nCa Mn Ga O\n3 2 2 10\ndirect\n0.399431 0.875620 0.811208 Ca\n0.102038 0.566393 0.218457 Ca\n0.886335 0.428981 0.770354 Ca\n0.989277 -0.001589 0.012811 Mn\n0.493365 0.486180 0.009990 Mn\n0.296205 0.169408 0.494465 Ga\n0.780585 0.838693 0.489823 Ga\n0.198877 0.229948 0.957531 O\n0.228141 0.762853 0.024689 O\n0.083337 0.195537 0.267397 O\n0.810292 0.805188 0.725938 O\n0.142619 0.869590 0.504948 O\n0.320997 0.433710 0.720822 O\n0.713234 0.244940 0.957772 O\n0.637822 0.133237 0.491998 O\n0.583841 0.562901 0.272141 O\n0.748763 0.742636 0.031539 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ca-Ga-Mn-O",
"density": 4.211746268648471,
"density_atomic": 0.08142447696071727,
"volume": 208.78242801856186,
"volume_molar": 7.395983351425573,
"formula_full": "Ca3 Mn2 Ga2 O10",
"formula_reduced": "Ca3Mn2(GaO5)2",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.1002279642799184,
"spacegroup": 1
},
{
"id": "jvasp-96980",
"created_at": "2022-09-04T14:36:38.373749Z",
"updated_at": "2022-09-04T14:36:38.373773Z",
"structure_string": "Ca3 Mn2 O7\n1.0\n3.682409 -0.000000 -0.680770\n-0.125855 3.680258 -0.680770\n-0.058543 -0.060579 9.983130\nCa Mn O\n3 2 7\ndirect\n0.500000 0.500001 1.000000 Ca\n0.316375 0.316374 0.632748 Ca\n0.683626 0.683627 0.367253 Ca\n0.099945 0.099945 0.199890 Mn\n0.900057 0.900056 0.800110 Mn\n0.902408 0.402406 0.804814 O\n0.402410 0.902407 0.804815 O\n0.097593 0.597592 0.195185 O\n0.597594 0.097594 0.195185 O\n0.802188 0.802187 0.604374 O\n0.000000 0.000000 0.000000 O\n0.197814 0.197814 0.395626 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.208319483981882,
"density_atomic": 0.08889560704499119,
"volume": 134.9897975715116,
"volume_molar": 6.774396351162909,
"formula_full": "Ca3 Mn2 O7",
"formula_reduced": "Ca3Mn2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.225916686896552,
"spacegroup": 139
},
{
"id": "jvasp-10749",
"created_at": "2022-09-04T14:37:07.064475Z",
"updated_at": "2022-09-04T14:37:07.064487Z",
"structure_string": "Ca3 Mn2 Sb2 O12\n1.0\n0.000000 5.351631 0.004136\n7.705238 0.000000 0.000000\n0.000000 -0.031712 -5.408690\nCa Mn Sb O\n3 2 2 12\ndirect\n0.557748 0.000000 0.489291 Ca\n0.450046 0.500000 0.508711 Ca\n0.958997 0.500000 0.992487 Ca\n0.999557 0.757533 0.498262 Mn\n0.999557 0.242467 0.498262 Mn\n0.491154 0.757525 0.000898 Sb\n0.491154 0.242476 0.000898 Sb\n0.304154 0.780027 0.317094 O\n0.990292 0.000000 0.578786 O\n0.709713 0.290426 0.705411 O\n0.518901 0.500000 0.080970 O\n0.794960 0.206089 0.214041 O\n0.304154 0.219973 0.317094 O\n0.794960 0.793911 0.214041 O\n0.462878 0.000000 0.902971 O\n0.208425 0.307467 0.781476 O\n0.709713 0.709575 0.705411 O\n0.208425 0.692533 0.781476 O\n0.006278 0.500000 0.418865 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Sb",
"O"
],
"chemical_system": "Ca-Mn-O-Sb",
"density": 4.95581407486122,
"density_atomic": 0.08519051816875241,
"volume": 223.0295155895546,
"volume_molar": 7.069027034289011,
"formula_full": "Ca3 Mn2 Sb2 O12",
"formula_reduced": "Ca3Mn2(SbO6)2",
"formula_anonymous": "A2B2C3D12",
"energy_above_hull": 2.4942636811978214,
"spacegroup": 6
}
]
}