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=energy_above_hull&page=3563",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3561",
"results": [
{
"id": "jvasp-36356",
"created_at": "2022-09-04T14:37:17.385144Z",
"updated_at": "2022-09-04T14:37:17.385169Z",
"structure_string": "Pd1 N1\n1.0\n2.211246 2.211246 -0.000000\n2.211246 -0.000000 -2.211246\n-0.000000 2.211246 -2.211246\nPd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 9.247635566517026,
"density_atomic": 0.09248873065191249,
"volume": 21.62425612183103,
"volume_molar": 6.511215709797909,
"formula_full": "Pd1 N1",
"formula_reduced": "PdN",
"formula_anonymous": "AB",
"energy_above_hull": 2.7705194749999995,
"spacegroup": 225
},
{
"id": "jvasp-113172",
"created_at": "2022-09-04T14:38:46.754144Z",
"updated_at": "2022-09-04T14:38:46.754163Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n5.836435 0.042010 2.430111\n0.738866 6.259239 0.661606\n0.030158 0.076222 6.787829\nLi Fe P O\n2 2 4 14\ndirect\n0.705164 0.011892 0.825341 Li\n0.294836 0.988112 0.174659 Li\n0.097349 0.649995 0.774565 Fe\n0.902652 0.350010 0.225436 Fe\n0.347732 0.396898 0.347552 P\n0.652268 0.603106 0.652449 P\n0.213634 0.133475 0.767877 P\n0.786367 0.866530 0.232123 P\n0.950929 0.668793 0.120262 O\n0.400160 0.584030 0.794844 O\n0.599841 0.415974 0.205156 O\n0.778888 0.397703 0.539472 O\n0.635438 0.785834 0.470923 O\n0.049071 0.331213 0.879739 O\n0.383274 0.039347 0.867494 O\n0.364563 0.214171 0.529077 O\n0.935388 0.028981 0.252685 O\n0.779184 0.691755 0.769628 O\n0.616726 0.960659 0.132507 O\n0.221112 0.602302 0.460529 O\n0.220816 0.308250 0.230372 O\n0.064612 0.971024 0.747315 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.1811211874568355,
"density_atomic": 0.08901675201553856,
"volume": 247.1444924901296,
"volume_molar": 6.765176917428743,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7709019090909086,
"spacegroup": 2
},
{
"id": "jvasp-111660",
"created_at": "2022-09-04T14:38:40.699495Z",
"updated_at": "2022-09-04T14:38:40.699517Z",
"structure_string": "Er2 Zr2 O7\n1.0\n5.785667 0.052523 0.603818\n-1.795380 5.500301 0.603818\n-0.017291 -0.024062 5.566454\nEr Zr O\n2 2 7\ndirect\n0.691214 0.308786 0.500000 Er\n0.308786 0.691214 0.500000 Er\n0.742005 0.742004 0.902378 Zr\n0.257995 0.257995 0.097622 Zr\n0.000000 0.000000 0.000000 O\n0.943566 0.588722 0.702071 O\n0.557331 0.557330 0.235454 O\n0.588723 0.943565 0.702071 O\n0.411278 0.056435 0.297929 O\n0.442670 0.442669 0.764546 O\n0.056435 0.411277 0.297929 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Er",
"Zr",
"O"
],
"chemical_system": "Er-O-Zr",
"density": 5.873023648225675,
"density_atomic": 0.06185589112011388,
"volume": 177.83269791780745,
"volume_molar": 9.735759441741775,
"formula_full": "Er2 Zr2 O7",
"formula_reduced": "Er2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.7709785,
"spacegroup": 12
},
{
"id": "jvasp-74034",
"created_at": "2022-09-04T14:35:56.345492Z",
"updated_at": "2022-09-04T14:35:56.345524Z",
"structure_string": "Be1 V2 Pb1\n1.0\n3.240747 0.000000 0.000000\n0.000000 3.240747 0.000000\n0.000000 -0.000000 5.910509\nBe V Pb\n1 2 1\ndirect\n0.000000 0.000000 0.451167 Be\n0.000000 0.000000 0.063647 V\n0.500000 0.500000 0.246715 V\n0.500000 0.500000 0.738472 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Pb"
],
"chemical_system": "Be-Pb-V",
"density": 8.509245434306616,
"density_atomic": 0.06443841552367878,
"volume": 62.07477274996226,
"volume_molar": 9.345575478632126,
"formula_full": "Be1 V2 Pb1",
"formula_reduced": "BeV2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.77098383,
"spacegroup": 99
},
{
"id": "jvasp-119130",
"created_at": "2022-09-04T14:38:48.674502Z",
"updated_at": "2022-09-04T14:38:48.674518Z",
"structure_string": "Ti2 Nb2 Ga2 O12\n1.0\n4.674016 -0.000000 0.000000\n0.000000 4.674016 0.000000\n-0.000000 -0.000000 9.079525\nTi Nb Ga O\n2 2 2 12\ndirect\n0.500000 0.500000 0.499702 Ti\n0.000000 0.000000 0.999702 Ti\n0.500000 0.500000 0.833398 Nb\n0.000000 0.000000 0.333397 Nb\n0.500000 0.500000 0.167536 Ga\n0.000000 0.000000 0.667537 Ga\n0.700157 0.700157 0.000132 O\n0.304029 0.304029 0.664220 O\n0.306177 0.306177 0.335331 O\n0.299844 0.299844 0.000132 O\n0.806177 0.193823 0.835331 O\n0.193823 0.806177 0.835331 O\n0.804030 0.195971 0.164219 O\n0.693824 0.693824 0.335331 O\n0.200156 0.799845 0.500133 O\n0.195971 0.804030 0.164219 O\n0.799845 0.200156 0.500133 O\n0.695972 0.695972 0.664220 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Ga",
"O"
],
"chemical_system": "Ga-Nb-O-Ti",
"density": 5.131635764695828,
"density_atomic": 0.0907463125991264,
"volume": 198.35516710761956,
"volume_molar": 6.636237426641151,
"formula_full": "Ti2 Nb2 Ga2 O12",
"formula_reduced": "TiNbGaO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.7709890064814813,
"spacegroup": 102
},
{
"id": "jvasp-86101",
"created_at": "2022-09-04T14:35:54.599522Z",
"updated_at": "2022-09-04T14:35:54.599546Z",
"structure_string": "Cr1 Fe2 Se4\n1.0\n3.256239 0.000202 -0.895657\n-0.735317 5.519786 -2.675336\n0.046555 -0.003896 6.538066\nCr Fe Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.258616 0.308829 0.517267 Fe\n0.741381 0.691171 0.482732 Fe\n0.637161 0.974338 0.274225 Se\n0.891338 0.557402 0.782689 Se\n0.108659 0.442598 0.217310 Se\n0.362837 0.025662 0.725774 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"Se"
],
"chemical_system": "Cr-Fe-Se",
"density": 6.764799737347002,
"density_atomic": 0.05946913707494783,
"volume": 117.70811456668746,
"volume_molar": 10.12649763592569,
"formula_full": "Cr1 Fe2 Se4",
"formula_reduced": "Cr(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7709945523809525,
"spacegroup": 12
},
{
"id": "jvasp-75607",
"created_at": "2022-09-04T14:36:13.338493Z",
"updated_at": "2022-09-04T14:36:13.338509Z",
"structure_string": "Cd1 B2 As1\n1.0\n-0.000000 3.132246 3.132246\n3.132246 -0.000000 3.132246\n3.132246 3.132246 -0.000000\nCd B As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Cd\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 B\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"B",
"As"
],
"chemical_system": "As-B-Cd",
"density": 5.6455134732323815,
"density_atomic": 0.06508222706756568,
"volume": 61.46071178307044,
"volume_molar": 9.253126439186019,
"formula_full": "Cd1 B2 As1",
"formula_reduced": "CdB2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.771089166666667,
"spacegroup": 216
},
{
"id": "jvasp-30553",
"created_at": "2022-09-04T14:37:12.323074Z",
"updated_at": "2022-09-04T14:37:12.323090Z",
"structure_string": "Mg2 Cr4 O10\n1.0\n3.313289 0.000000 0.000000\n-0.000000 4.743006 0.000000\n0.000000 0.000000 11.476654\nMg Cr O\n2 4 10\ndirect\n0.750000 0.859704 0.250000 Mg\n0.249999 0.140296 0.750000 Mg\n0.249999 0.406333 0.100537 Cr\n0.750000 0.593666 0.899463 Cr\n0.750000 0.593666 0.600536 Cr\n0.249999 0.406333 0.399463 Cr\n0.750000 0.424560 0.750000 O\n0.249999 0.575440 0.250000 O\n0.750000 0.568766 0.071224 O\n0.249999 0.431235 0.928774 O\n0.750000 0.568766 0.428775 O\n0.249999 0.431235 0.571225 O\n0.249999 0.065752 0.361379 O\n0.750000 0.934250 0.638621 O\n0.750000 0.934250 0.861378 O\n0.249999 0.065752 0.138622 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 3.8355530054255915,
"density_atomic": 0.08871390600063261,
"volume": 180.3550392639222,
"volume_molar": 6.788271457641664,
"formula_full": "Mg2 Cr4 O10",
"formula_reduced": "MgCr2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.77122891875,
"spacegroup": 59
},
{
"id": "jvasp-34180",
"created_at": "2022-09-04T14:37:28.965005Z",
"updated_at": "2022-09-04T14:37:28.965036Z",
"structure_string": "Mn2 P2 O8\n1.0\n4.676605 0.002362 0.000000\n1.684086 4.362854 0.000000\n-0.000000 0.000000 6.408085\nMn P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.349056 0.349055 0.250001 P\n0.650943 0.650944 0.750002 P\n0.708165 0.224238 0.250001 O\n0.760480 0.760481 0.549934 O\n0.239519 0.239519 0.049934 O\n0.239519 0.239519 0.450066 O\n0.775760 0.291834 0.750002 O\n0.291836 0.775759 0.750002 O\n0.760480 0.760481 0.950067 O\n0.224240 0.708163 0.250001 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.8085794855373143,
"density_atomic": 0.09179864916207778,
"volume": 130.72087780739616,
"volume_molar": 6.560162720224166,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7712377902298853,
"spacegroup": 63
},
{
"id": "jvasp-52120",
"created_at": "2022-09-04T14:37:09.030071Z",
"updated_at": "2022-09-04T14:37:09.030104Z",
"structure_string": "Mn2 P2 O8\n1.0\n4.676605 0.002362 -0.000000\n1.684086 4.362854 -0.000000\n0.000000 -0.000000 6.408085\nMn P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.349056 0.349055 0.250001 P\n0.650943 0.650944 0.750002 P\n0.708165 0.224238 0.250001 O\n0.760480 0.760481 0.549934 O\n0.239519 0.239519 0.049934 O\n0.239519 0.239519 0.450066 O\n0.775760 0.291834 0.750002 O\n0.291836 0.775759 0.750002 O\n0.760480 0.760481 0.950067 O\n0.224240 0.708163 0.250001 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.8085794855373143,
"density_atomic": 0.09179864916207778,
"volume": 130.72087780739616,
"volume_molar": 6.560162720224166,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7712377902298853,
"spacegroup": 63
},
{
"id": "jvasp-30620",
"created_at": "2022-09-04T14:37:12.836353Z",
"updated_at": "2022-09-04T14:37:12.836371Z",
"structure_string": "Ti6 Al2 Se4 Cl2 O16\n1.0\n7.424875 -1.428940 1.067948\n-1.057401 8.851253 -1.355083\n1.797720 -1.809409 8.012803\nTi Al Se Cl O\n6 2 4 2 16\ndirect\n0.479822 0.795995 0.974381 Ti\n0.529026 0.040913 0.506734 Ti\n0.902140 0.996532 0.103462 Ti\n0.709794 0.167856 0.910200 Ti\n0.108075 0.856492 0.317633 Ti\n0.138366 0.174283 0.611052 Ti\n0.298805 0.170313 0.185268 Al\n0.694980 0.855283 0.580159 Al\n0.252948 0.574050 0.390046 Se\n0.907753 0.459221 0.471613 Se\n0.816701 0.586999 0.330939 Se\n0.107918 0.660133 0.793487 Se\n0.413297 0.311076 0.718749 Cl\n0.635658 0.647241 0.021678 Cl\n0.198144 0.251639 0.426453 O\n0.720248 0.098994 0.322488 O\n0.569068 0.748705 0.740196 O\n0.613063 0.059992 0.715718 O\n0.282265 0.999989 0.485379 O\n0.057215 0.847026 0.849862 O\n0.111909 0.154620 0.098292 O\n0.950982 0.875572 0.209573 O\n0.944249 0.962034 0.548437 O\n0.550835 0.831840 0.445637 O\n0.331769 0.966733 0.148404 O\n0.957779 0.273536 0.813903 O\n0.219384 0.672738 0.946967 O\n0.530240 0.273721 0.087260 O\n0.720507 0.995091 0.976052 O\n0.247075 0.691375 0.269980 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ti",
"Al",
"Se",
"Cl",
"O"
],
"chemical_system": "Al-Cl-O-Se-Ti",
"density": 3.3699532292431305,
"density_atomic": 0.06187916121201236,
"volume": 484.81588005391734,
"volume_molar": 9.732098241226556,
"formula_full": "Ti6 Al2 Se4 Cl2 O16",
"formula_reduced": "Ti3AlSe2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.771255773388889,
"spacegroup": 1
},
{
"id": "jvasp-9191",
"created_at": "2022-09-04T14:37:08.299888Z",
"updated_at": "2022-09-04T14:37:08.299918Z",
"structure_string": "Ba2 Mn3 Al1 O8\n1.0\n3.850171 -0.000000 -0.000000\n0.000000 3.850171 0.000000\n-0.000000 -0.000000 11.539298\nBa Mn Al O\n2 3 1 8\ndirect\n0.500000 0.500000 0.171374 Ba\n0.500000 0.500000 0.828606 Ba\n0.000000 0.000000 0.353741 Mn\n0.000000 0.000000 -0.000015 Mn\n0.000000 0.000000 0.646264 Mn\n0.500000 0.500000 0.499994 Al\n0.000000 0.500000 0.392869 O\n0.500000 0.000000 0.392869 O\n0.500000 0.000000 -0.000006 O\n0.000000 0.000000 0.183316 O\n0.000000 0.500000 0.607156 O\n0.500000 0.000000 0.607156 O\n0.000000 0.000000 0.816686 O\n0.000000 0.500000 -0.000006 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ba-Mn-O",
"density": 5.7706038009816005,
"density_atomic": 0.08184433221832092,
"volume": 171.05643873609722,
"volume_molar": 7.358042514093529,
"formula_full": "Ba2 Mn3 Al1 O8",
"formula_reduced": "Ba2Mn3AlO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.771289604581281,
"spacegroup": 123
}
]
}