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&page=1133",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1131",
"results": [
{
"id": "jvasp-66353",
"created_at": "2022-09-04T14:36:11.327128Z",
"updated_at": "2022-09-04T14:36:11.327147Z",
"structure_string": "Ba4 Sb1 Pd1\n1.0\n0.000000 4.868960 4.868960\n4.868960 0.000000 4.868960\n4.868960 4.868960 0.000000\nBa Sb Pd\n4 1 1\ndirect\n0.124161 0.625280 0.625280 Ba\n0.625280 0.625280 0.625280 Ba\n0.625280 0.124161 0.625280 Ba\n0.625280 0.625280 0.124161 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pd"
],
"chemical_system": "Ba-Pd-Sb",
"density": 5.5924766105013966,
"density_atomic": 0.02599038032001966,
"volume": 230.85464414610234,
"volume_molar": 23.170652702458973,
"formula_full": "Ba4 Sb1 Pd1",
"formula_reduced": "Ba4SbPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.45540428,
"spacegroup": 216
},
{
"id": "jvasp-21744",
"created_at": "2022-09-04T14:38:29.792770Z",
"updated_at": "2022-09-04T14:38:29.792789Z",
"structure_string": "Ce4 Cd2 Pt4\n1.0\n7.862878 0.000000 0.000000\n-0.000000 7.862878 0.000000\n-0.000000 0.000000 3.734010\nCe Cd Pt\n4 2 4\ndirect\n0.170322 0.329678 0.500000 Ce\n0.329678 0.829679 0.500000 Ce\n0.829679 0.670322 0.500000 Ce\n0.670322 0.170322 0.500000 Ce\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.632049 0.867952 0.000000 Pt\n0.132048 0.632049 0.000000 Pt\n0.867952 0.367952 0.000000 Pt\n0.367952 0.132048 0.000000 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Cd",
"Pt"
],
"chemical_system": "Cd-Ce-Pt",
"density": 11.261531648666582,
"density_atomic": 0.043317306977611235,
"volume": 230.8546098022333,
"volume_molar": 13.902389553239248,
"formula_full": "Ce4 Cd2 Pt4",
"formula_reduced": "Ce2CdPt2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4447067100000002,
"spacegroup": 127
},
{
"id": "jvasp-91926",
"created_at": "2022-09-04T14:36:00.712113Z",
"updated_at": "2022-09-04T14:36:00.712148Z",
"structure_string": "Tl2 Sn1 Hg1 Se4\n1.0\n-4.051719 4.051719 -3.515488\n4.051719 -4.051719 -3.515488\n-4.051719 -4.051719 3.515488\nTl Sn Hg Se\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Hg\n0.944541 0.944541 0.351700 Se\n0.592841 0.592841 0.648300 Se\n0.055460 0.407160 0.000000 Se\n0.407160 0.055460 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Sn",
"Hg",
"Se"
],
"chemical_system": "Hg-Se-Sn-Tl",
"density": 7.509075893463127,
"density_atomic": 0.03465498696805635,
"volume": 230.84700644597257,
"volume_molar": 17.377414585528424,
"formula_full": "Tl2 Sn1 Hg1 Se4",
"formula_reduced": "Tl2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.3982581208333333,
"spacegroup": 121
},
{
"id": "jvasp-11402",
"created_at": "2022-09-04T14:38:15.140357Z",
"updated_at": "2022-09-04T14:38:15.140383Z",
"structure_string": "Sr4 Ce2 O8\n1.0\n3.621732 0.000000 0.000000\n0.000000 6.142246 0.000000\n0.000000 0.000000 10.376139\nSr Ce O\n4 2 8\ndirect\n0.500000 0.436562 0.179307 Sr\n0.500000 0.563439 0.820693 Sr\n0.500000 0.936562 0.320693 Sr\n0.500000 0.063438 0.679307 Sr\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.273496 0.456934 O\n0.500000 0.726505 0.543067 O\n0.500000 0.773496 0.043066 O\n0.500000 0.226504 0.956934 O\n0.000000 0.643697 0.305225 O\n0.000000 0.356304 0.694775 O\n0.000000 0.856304 0.805225 O\n0.000000 0.143697 0.194775 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"O"
],
"chemical_system": "Ce-O-Sr",
"density": 5.458131634918953,
"density_atomic": 0.06065250442440757,
"volume": 230.8231149374628,
"volume_molar": 9.92892349153614,
"formula_full": "Sr4 Ce2 O8",
"formula_reduced": "Sr2CeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2651774457142857,
"spacegroup": 55
},
{
"id": "jvasp-107489",
"created_at": "2022-09-04T14:37:17.079072Z",
"updated_at": "2022-09-04T14:37:17.079082Z",
"structure_string": "Er6 Fe1 Sb2\n1.0\n8.091224 0.000000 0.000000\n-4.045612 7.007205 0.000000\n-0.000000 -0.000000 4.070982\nEr Fe Sb\n6 1 2\ndirect\n0.232965 -0.000000 0.500000 Er\n0.000000 0.232965 0.500000 Er\n0.767035 0.767035 0.500000 Er\n0.606079 -0.000000 -0.000000 Er\n0.000000 0.606079 -0.000000 Er\n0.393921 0.393921 -0.000000 Er\n0.000000 0.000000 0.000000 Fe\n0.333334 0.666667 0.500000 Sb\n0.666667 0.333334 0.500000 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Fe",
"Sb"
],
"chemical_system": "Er-Fe-Sb",
"density": 9.373640317967673,
"density_atomic": 0.038992787197921104,
"volume": 230.81191796619848,
"volume_molar": 15.444242878644669,
"formula_full": "Er6 Fe1 Sb2",
"formula_reduced": "Er6FeSb2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.886699744444444,
"spacegroup": 189
},
{
"id": "jvasp-66131",
"created_at": "2022-09-04T14:35:44.733477Z",
"updated_at": "2022-09-04T14:35:44.733516Z",
"structure_string": "Ba4 V1 Fe1\n1.0\n0.000000 4.868651 4.868651\n4.868651 -0.000000 4.868651\n4.868651 4.868651 -0.000000\nBa V Fe\n4 1 1\ndirect\n0.125914 0.624695 0.624695 Ba\n0.624695 0.624695 0.624695 Ba\n0.624695 0.125914 0.624695 Ba\n0.624695 0.624695 0.125914 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Fe"
],
"chemical_system": "Ba-Fe-V",
"density": 4.720190936597621,
"density_atomic": 0.025995329249756314,
"volume": 230.81069458107538,
"volume_molar": 23.166241528010083,
"formula_full": "Ba4 V1 Fe1",
"formula_reduced": "Ba4VFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5354805966666667,
"spacegroup": 216
},
{
"id": "jvasp-119131",
"created_at": "2022-09-04T14:38:35.242845Z",
"updated_at": "2022-09-04T14:38:35.242870Z",
"structure_string": "Tm2 B6 Rh9\n1.0\n5.575307 -0.000000 0.000000\n-2.787653 4.828358 0.000000\n-0.000000 -0.000000 8.573627\nTm B Rh\n2 6 9\ndirect\n0.000000 0.000000 0.705030 Tm\n0.000000 0.000000 0.294971 Tm\n0.666667 0.333333 -0.000000 B\n0.333334 0.666667 -0.000000 B\n0.666667 0.333333 0.667564 B\n0.333334 0.666667 0.667564 B\n0.333334 0.666667 0.332436 B\n0.666667 0.333333 0.332436 B\n0.500001 0.500000 0.500000 Rh\n0.000000 0.500000 0.164715 Rh\n0.500000 0.000000 0.164715 Rh\n0.500001 0.500000 0.835286 Rh\n0.000000 0.500000 0.835286 Rh\n0.500000 0.000000 0.835286 Rh\n0.500000 0.000000 0.500000 Rh\n0.500001 0.500000 0.164715 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tm",
"B",
"Rh"
],
"chemical_system": "B-Rh-Tm",
"density": 9.560999785008331,
"density_atomic": 0.07365734932185107,
"volume": 230.79842210608587,
"volume_molar": 8.175885794757322,
"formula_full": "Tm2 B6 Rh9",
"formula_reduced": "Tm2(B2Rh3)3",
"formula_anonymous": "A2B6C9",
"energy_above_hull": 4.062055352941176,
"spacegroup": 191
},
{
"id": "jvasp-111648",
"created_at": "2022-09-04T14:38:52.107379Z",
"updated_at": "2022-09-04T14:38:52.107396Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.839418 -0.003879 0.245291\n1.375358 6.140445 0.724476\n0.282582 -0.089544 13.247723\nLi Mn Co O\n8 2 4 14\ndirect\n0.139893 0.932223 0.787701 Li\n0.003621 0.504442 0.488885 Li\n0.863281 0.056602 0.217182 Li\n0.578126 0.207385 0.636662 Li\n0.435035 0.784976 0.345538 Li\n0.267552 0.380268 0.084105 Li\n0.712270 0.636064 0.938686 Li\n0.567439 0.713937 0.151216 Li\n0.002216 0.991673 0.003569 Mn\n0.858953 0.569776 0.712269 Mn\n0.286919 0.854957 0.571335 Co\n0.141265 0.433704 0.283903 Co\n0.714995 0.141476 0.428736 Co\n0.428362 0.287246 0.855864 Co\n0.869718 0.309710 0.950865 O\n0.559478 0.982407 0.898174 O\n0.422278 0.542094 0.613135 O\n0.272130 0.122564 0.333203 O\n-0.009321 0.263363 0.754984 O\n0.843866 0.835759 0.476450 O\n0.708459 0.390595 0.192394 O\n0.133887 0.701777 0.029988 O\n0.725393 0.876778 0.672717 O\n0.584127 0.446166 0.385926 O\n0.432106 0.042834 0.092846 O\n0.155996 0.159557 0.528847 O\n0.005466 0.735197 0.254162 O\n0.296502 0.596464 0.810661 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.4980829976093295,
"density_atomic": 0.12132969902835514,
"volume": 230.77614322158922,
"volume_molar": 4.963451494751179,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5575038243842365,
"spacegroup": 8
},
{
"id": "jvasp-97421",
"created_at": "2022-09-04T14:36:06.289818Z",
"updated_at": "2022-09-04T14:36:06.289830Z",
"structure_string": "Cu2 C8 O8\n1.0\n5.203732 -0.053357 1.917569\n1.834331 6.458236 1.796508\n-0.112537 0.653110 6.918222\nCu C O\n2 8 8\ndirect\n0.749999 0.110533 0.889467 Cu\n0.249999 0.889467 0.110534 Cu\n0.370641 0.976554 0.647752 C\n0.099158 0.549934 0.072404 C\n0.129358 0.352248 0.023446 C\n0.599158 0.072404 0.549934 C\n0.900841 0.450066 0.927597 C\n0.400841 0.927597 0.450067 C\n0.629358 0.023446 0.352248 C\n0.870641 0.647752 0.976554 C\n0.702301 0.821591 0.947485 O\n0.202301 0.947485 0.821591 O\n0.776008 0.402300 0.836206 O\n0.223991 0.597701 0.163794 O\n0.723991 0.163794 0.597701 O\n0.797698 0.052515 0.178409 O\n0.297698 0.178409 0.052515 O\n0.276008 0.836206 0.402300 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 2.5268773522806858,
"density_atomic": 0.07799858071897496,
"volume": 230.7734299019249,
"volume_molar": 7.720833769652138,
"formula_full": "Cu2 C8 O8",
"formula_reduced": "Cu(CO)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.327284938888889,
"spacegroup": 15
},
{
"id": "jvasp-27668",
"created_at": "2022-09-04T14:37:28.584889Z",
"updated_at": "2022-09-04T14:37:28.584923Z",
"structure_string": "Zn2 Cu2 Ge4 O12\n1.0\n5.098079 -0.100326 1.033371\n1.224340 6.629853 0.574927\n-0.163011 -0.127959 6.763251\nZn Cu Ge O\n2 2 4 12\ndirect\n0.750000 0.264963 0.735036 Zn\n0.250000 0.735036 0.264964 Zn\n0.750000 0.904996 0.095003 Cu\n0.250000 0.095003 0.904997 Cu\n0.787436 0.392831 0.206639 Ge\n0.712565 0.793360 0.607169 Ge\n0.212565 0.607168 0.793361 Ge\n0.287436 0.206639 0.392831 Ge\n0.622678 0.976937 0.796287 O\n0.877323 0.203713 0.023062 O\n0.615289 0.624940 0.137217 O\n0.884712 0.862783 0.375059 O\n0.384712 0.375058 0.862784 O\n0.911325 0.573475 0.707718 O\n0.088675 0.426524 0.292283 O\n0.411325 0.707717 0.573476 O\n0.122678 0.796286 0.976938 O\n0.588675 0.292282 0.426524 O\n0.115289 0.137216 0.624941 O\n0.377323 0.023062 0.203713 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-O-Zn",
"density": 5.3282296991192934,
"density_atomic": 0.08666836270720835,
"volume": 230.76471477332487,
"volume_molar": 6.948487974031069,
"formula_full": "Zn2 Cu2 Ge4 O12",
"formula_reduced": "ZnCu(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.539904375,
"spacegroup": 15
},
{
"id": "jvasp-64086",
"created_at": "2022-09-04T14:36:16.689565Z",
"updated_at": "2022-09-04T14:36:16.689588Z",
"structure_string": "Ba4 Hf1 Fe1\n1.0\n0.000000 4.868287 4.868287\n4.868287 -0.000000 4.868287\n4.868287 4.868287 0.000000\nBa Hf Fe\n4 1 1\ndirect\n0.126375 0.624542 0.624542 Ba\n0.624542 0.624542 0.624542 Ba\n0.624542 0.126375 0.624542 Ba\n0.624542 0.624542 0.126375 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Fe"
],
"chemical_system": "Ba-Fe-Hf",
"density": 5.639087592230111,
"density_atomic": 0.026001160668912896,
"volume": 230.75892943400896,
"volume_molar": 23.161045911308484,
"formula_full": "Ba4 Hf1 Fe1",
"formula_reduced": "Ba4HfFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7103437299999995,
"spacegroup": 216
},
{
"id": "jvasp-48716",
"created_at": "2022-09-04T14:35:53.042754Z",
"updated_at": "2022-09-04T14:35:53.042774Z",
"structure_string": "Mn2 P2 H4 C2 O12\n1.0\n5.990732 0.000000 -0.010361\n-2.995366 7.488367 0.005180\n-2.069203 0.000000 5.146931\nMn P H C O\n2 2 4 2 12\ndirect\n0.194318 0.388638 0.500000 Mn\n0.805681 0.611363 0.500000 Mn\n0.330296 0.660591 0.000000 P\n0.669704 0.339409 0.000000 P\n0.179182 0.811351 0.180229 H\n0.632167 0.811351 0.819771 H\n0.367832 0.188650 0.180229 H\n0.820818 0.188650 0.819771 H\n0.102520 -0.000000 0.447799 C\n0.897480 -0.000000 0.552201 C\n0.816585 0.216260 -0.009773 O\n0.399674 0.216260 0.009773 O\n0.611226 0.448580 0.749840 O\n0.745973 0.849155 0.590062 O\n0.254027 0.150845 0.409937 O\n0.103181 0.849155 0.409937 O\n0.600326 0.783741 -0.009773 O\n0.183414 0.783741 0.009773 O\n0.162648 0.551420 0.749840 O\n0.837352 0.448580 0.250160 O\n0.388773 0.551420 0.250160 O\n0.896818 0.150845 0.590062 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Mn",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mn-O-P",
"density": 2.820183431781415,
"density_atomic": 0.09534751866795538,
"volume": 230.7348980586929,
"volume_molar": 6.315991065244089,
"formula_full": "Mn2 P2 H4 C2 O12",
"formula_reduced": "MnPH2CO6",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 3.472329431034483,
"spacegroup": 12
}
]
}