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_anonymous&page=442",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=440",
"results": [
{
"id": "jvasp-112621",
"created_at": "2022-09-04T14:38:41.396161Z",
"updated_at": "2022-09-04T14:38:41.396178Z",
"structure_string": "Ti3 Cr3 Si12\n1.0\n12.804066 -0.000000 0.000000\n-0.000000 4.010859 2.277565\n-0.000000 0.003065 4.627779\nTi Cr Si\n3 3 12\ndirect\n0.248767 -0.000001 0.500000 Ti\n0.585999 0.500000 0.500000 Ti\n0.082008 0.500000 0.500000 Ti\n0.914111 0.500000 -0.000001 Cr\n0.420147 0.500000 -0.000001 Cr\n0.749200 -0.000001 0.500000 Cr\n0.253261 0.677792 0.157806 Si\n0.752476 0.670780 0.157053 Si\n0.417982 0.165676 0.668517 Si\n0.912877 0.159934 0.666306 Si\n0.078852 0.835116 0.844087 Si\n0.752476 0.329219 0.842946 Si\n0.253261 0.322207 0.842193 Si\n0.584436 0.158631 0.161479 Si\n0.417982 0.834323 0.331482 Si\n0.912877 0.840065 0.333694 Si\n0.584436 0.841368 0.838521 Si\n0.078852 0.164883 0.155912 Si\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-Ti",
"density": 4.449709140595257,
"density_atomic": 0.07576662802633018,
"volume": 237.5716125804714,
"volume_molar": 7.948276064109921,
"formula_full": "Ti3 Cr3 Si12",
"formula_reduced": "TiCrSi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.8617316888888897,
"spacegroup": 3
},
{
"id": "jvasp-114007",
"created_at": "2022-09-04T14:38:47.461110Z",
"updated_at": "2022-09-04T14:38:47.461139Z",
"structure_string": "Zr1 B1 O4\n1.0\n-2.588928 2.588928 3.950470\n2.588928 -2.588928 3.950470\n2.588928 2.588928 -3.950470\nZr B O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.749999 0.500000 B\n0.563200 0.959074 0.804504 O\n0.241304 0.436799 0.395875 O\n0.154570 0.758695 0.195496 O\n0.040925 0.845429 0.604125 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"B",
"O"
],
"chemical_system": "B-O-Zr",
"density": 2.6031174397060806,
"density_atomic": 0.0566503432776632,
"volume": 105.91286217970288,
"volume_molar": 10.63036940567752,
"formula_full": "Zr1 B1 O4",
"formula_reduced": "ZrBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.997708513888889,
"spacegroup": 82
},
{
"id": "jvasp-119448",
"created_at": "2022-09-04T14:38:33.500647Z",
"updated_at": "2022-09-04T14:38:33.500674Z",
"structure_string": "Y16 Mg4 Ir4\n1.0\n8.393514 0.000000 4.845997\n2.797838 7.913481 4.845997\n-0.000000 -0.000000 9.691995\nY Mg Ir\n16 4 4\ndirect\n0.596648 0.596648 0.596648 Y\n0.186636 0.186636 0.813364 Y\n0.813364 0.813364 0.186636 Y\n0.186636 0.813364 0.186636 Y\n0.813364 0.186636 0.813364 Y\n0.186636 0.813364 0.813364 Y\n0.061549 0.061549 0.438451 Y\n0.438451 0.438451 0.061549 Y\n0.813364 0.186636 0.186636 Y\n0.438451 0.061549 0.438451 Y\n0.438451 0.061549 0.061549 Y\n0.061549 0.438451 0.438451 Y\n0.210055 0.596648 0.596648 Y\n0.596648 0.210055 0.596648 Y\n0.596648 0.596648 0.210056 Y\n0.061549 0.438451 0.061549 Y\n0.829676 0.829676 0.829676 Mg\n0.829676 0.829676 0.510974 Mg\n0.829676 0.510974 0.829676 Mg\n0.510974 0.829676 0.829676 Mg\n0.391054 0.826837 0.391054 Ir\n0.391054 0.391054 0.391054 Ir\n0.391054 0.391054 0.826837 Ir\n0.826837 0.391054 0.391055 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Y",
"density": 5.903246725066371,
"density_atomic": 0.03728092481209576,
"volume": 643.7608541356041,
"volume_molar": 16.15341033076015,
"formula_full": "Y16 Mg4 Ir4",
"formula_reduced": "Y4MgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.768340325,
"spacegroup": 216
},
{
"id": "jvasp-46706",
"created_at": "2022-09-04T14:38:33.502060Z",
"updated_at": "2022-09-04T14:38:33.502087Z",
"structure_string": "Mn2 P2 O8\n1.0\n5.106155 0.180388 0.396534\n2.941714 7.071531 4.489061\n2.663849 -1.220823 4.204296\nMn P O\n2 2 8\ndirect\n0.198797 0.258764 0.286930 Mn\n0.786929 0.758764 0.698797 Mn\n0.161992 0.626223 0.089668 P\n0.589668 0.126223 0.661992 P\n0.038692 0.776706 0.243237 O\n0.203222 0.457358 0.334339 O\n0.274985 0.146694 0.994914 O\n0.509404 0.117299 0.420177 O\n0.494913 0.646693 0.774985 O\n0.743236 0.276706 0.538692 O\n0.920177 0.617299 0.009404 O\n0.834338 0.957359 0.703221 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.9144333499739927,
"density_atomic": 0.07024693737297094,
"volume": 170.82595268583574,
"volume_molar": 8.572816104460024,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.791919456896552,
"spacegroup": 9
},
{
"id": "jvasp-52115",
"created_at": "2022-09-04T14:38:33.909392Z",
"updated_at": "2022-09-04T14:38:33.909420Z",
"structure_string": "Cr2 Re2 O8\n1.0\n4.694707 -0.003400 0.133692\n0.086111 4.862240 2.460617\n-0.002568 -0.042072 5.449923\nCr Re O\n2 2 8\ndirect\n0.507492 0.262397 0.262397 Cr\n0.492508 0.737603 0.737603 Cr\n-0.000000 0.776992 0.223008 Re\n-0.000000 0.223008 0.776992 Re\n0.186592 0.595330 0.595330 O\n0.813408 0.404670 0.404670 O\n0.787321 0.879602 0.879601 O\n0.212679 0.120398 0.120398 O\n0.693769 0.386398 0.906593 O\n0.306230 0.093407 0.613602 O\n0.306230 0.613602 0.093406 O\n0.693770 0.906594 0.386398 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"Re",
"O"
],
"chemical_system": "Cr-O-Re",
"density": 8.035931207770664,
"density_atomic": 0.09608219085050866,
"volume": 124.89307221012928,
"volume_molar": 6.26769717331869,
"formula_full": "Cr2 Re2 O8",
"formula_reduced": "CrReO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.633801566666667,
"spacegroup": 12
},
{
"id": "jvasp-115367",
"created_at": "2022-09-04T14:38:43.660322Z",
"updated_at": "2022-09-04T14:38:43.660343Z",
"structure_string": "Ti1 P1 S4\n1.0\n-2.966655 2.747172 4.618031\n2.966655 -2.747172 4.618031\n2.966655 2.747172 -4.618031\nTi P S\n1 1 4\ndirect\n-0.000000 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 P\n0.661393 0.651764 0.560497 S\n0.338607 0.899104 -0.009628 S\n0.908733 0.348236 0.009629 S\n0.091267 0.100898 0.439505 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"P",
"S"
],
"chemical_system": "P-S-Ti",
"density": 2.284341678304194,
"density_atomic": 0.03985488127398534,
"volume": 150.54617673435166,
"volume_molar": 15.110171119568381,
"formula_full": "Ti1 P1 S4",
"formula_reduced": "TiPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.555722305555556,
"spacegroup": 23
},
{
"id": "jvasp-114510",
"created_at": "2022-09-04T14:38:41.472734Z",
"updated_at": "2022-09-04T14:38:41.472755Z",
"structure_string": "Ti1 B1 O4\n1.0\n-1.797536 1.797536 4.402440\n1.797536 -1.797536 4.402440\n1.797536 1.797536 -4.402440\nTi B O\n1 1 4\ndirect\n0.750001 0.250000 0.500001 Ti\n0.000000 0.000000 0.000000 B\n0.981229 0.481228 0.500001 O\n0.824314 0.824314 0.000000 O\n0.518773 0.018772 0.500001 O\n0.175686 0.175686 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"B",
"O"
],
"chemical_system": "B-O-Ti",
"density": 3.580128849519931,
"density_atomic": 0.10544903735476283,
"volume": 56.89952369896146,
"volume_molar": 5.710949014868363,
"formula_full": "Ti1 B1 O4",
"formula_reduced": "TiBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.991982486111111,
"spacegroup": 119
},
{
"id": "jvasp-106370",
"created_at": "2022-09-04T14:38:41.326376Z",
"updated_at": "2022-09-04T14:38:41.326405Z",
"structure_string": "Ce1 Y1 Co4\n1.0\n4.338993 0.000000 2.505119\n-2.892662 4.090841 0.000000\n0.000000 0.000000 5.010237\nCe Y Co\n1 1 4\ndirect\n0.500000 0.750000 0.750001 Ce\n0.000000 0.000000 0.000000 Y\n0.749540 0.374771 0.875690 Co\n0.250459 0.374771 0.374771 Co\n0.250460 0.875688 0.374771 Co\n0.749540 0.374771 0.374771 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Co"
],
"chemical_system": "Ce-Co-Y",
"density": 8.677867269207718,
"density_atomic": 0.06746700495677739,
"volume": 88.9323604011159,
"volume_molar": 8.926053207576167,
"formula_full": "Ce1 Y1 Co4",
"formula_reduced": "CeYCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.3296640916666664,
"spacegroup": 216
},
{
"id": "jvasp-107747",
"created_at": "2022-09-04T14:38:47.888426Z",
"updated_at": "2022-09-04T14:38:47.888451Z",
"structure_string": "Na1 In1 Sn4\n1.0\n5.866872 -0.071832 -1.525722\n-3.522106 4.692560 -1.525722\n0.036451 0.071832 6.061905\nNa In Sn\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 In\n0.603167 0.103167 0.206334 Sn\n0.896832 0.396833 0.793666 Sn\n0.396832 0.603167 0.500000 Sn\n0.103166 0.896833 0.500000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"In",
"Sn"
],
"chemical_system": "In-Na-Sn",
"density": 6.104619642103286,
"density_atomic": 0.03600392978848123,
"volume": 166.64847518727208,
"volume_molar": 16.726342916952,
"formula_full": "Na1 In1 Sn4",
"formula_reduced": "NaInSn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2074734083333334,
"spacegroup": 97
},
{
"id": "jvasp-116107",
"created_at": "2022-09-04T14:38:47.168191Z",
"updated_at": "2022-09-04T14:38:47.168218Z",
"structure_string": "Ga1 Pd1 I4\n1.0\n-3.018179 3.018179 5.984083\n3.018179 -3.018179 5.984083\n3.018179 3.018179 -5.984083\nGa Pd I\n1 1 4\ndirect\n0.250000 0.749999 0.499999 Ga\n0.500000 0.500000 -0.000000 Pd\n0.643356 0.109824 0.002560 I\n0.890175 0.892736 0.533532 I\n0.359204 0.356643 0.466467 I\n0.107263 0.640795 -0.002561 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"Pd",
"I"
],
"chemical_system": "Ga-I-Pd",
"density": 5.207218018796432,
"density_atomic": 0.027517163504326803,
"volume": 218.0457298608034,
"volume_molar": 21.885034622311558,
"formula_full": "Ga1 Pd1 I4",
"formula_reduced": "GaPdI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1608654749999999,
"spacegroup": 82
},
{
"id": "jvasp-55369",
"created_at": "2022-09-04T14:38:34.707306Z",
"updated_at": "2022-09-04T14:38:34.707333Z",
"structure_string": "Cr4 As4 O16\n1.0\n4.785447 -0.000000 0.000000\n-0.000000 6.250161 0.000000\n0.000000 0.000000 9.113074\nCr As O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.522336 0.750000 0.183121 As\n0.022336 0.250000 0.316878 As\n0.477664 0.250000 0.816878 As\n0.977665 0.750000 0.683121 As\n0.099842 0.250000 0.125861 O\n0.599843 0.750000 0.374139 O\n0.322016 0.750000 0.613287 O\n0.822016 0.250000 0.886712 O\n0.677984 0.250000 0.386712 O\n0.177984 0.750000 0.113287 O\n0.675080 0.981731 0.126738 O\n0.324920 0.018269 0.873262 O\n0.324920 0.481731 0.873262 O\n0.824921 0.518269 0.626738 O\n0.400158 0.250000 0.625860 O\n0.824921 0.981731 0.626738 O\n0.675080 0.518269 0.126738 O\n0.175080 0.481731 0.373262 O\n0.175080 0.018269 0.373262 O\n0.900158 0.750000 0.874139 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"As",
"O"
],
"chemical_system": "As-Cr-O",
"density": 4.652337480369722,
"density_atomic": 0.0880506628211326,
"volume": 272.57035019434153,
"volume_molar": 6.839404232803409,
"formula_full": "Cr4 As4 O16",
"formula_reduced": "CrAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8338805250000005,
"spacegroup": 62
},
{
"id": "jvasp-20988",
"created_at": "2022-09-04T14:38:34.961017Z",
"updated_at": "2022-09-04T14:38:34.961048Z",
"structure_string": "Tb2 Al8 Ni2\n1.0\n3.943420 0.000000 -1.039384\n-0.000000 6.635049 -0.000000\n0.002115 -0.000000 8.008373\nTb Al Ni\n2 8 2\ndirect\n0.116535 0.750000 0.233070 Tb\n0.883464 0.250000 0.766930 Tb\n0.689096 0.447843 0.378194 Al\n0.310903 0.552157 0.621806 Al\n0.310903 0.947843 0.621806 Al\n0.689096 0.052157 0.378194 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.076523 0.250000 0.153047 Al\n0.923475 0.750000 0.846953 Al\n0.773880 0.750000 0.547762 Ni\n0.226119 0.250000 0.452238 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tb",
"density": 5.159389352503287,
"density_atomic": 0.05726503810788699,
"volume": 209.5519429742118,
"volume_molar": 10.516260809351637,
"formula_full": "Tb2 Al8 Ni2",
"formula_reduced": "TbAl4Ni",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6068586666666669,
"spacegroup": 63
}
]
}