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=33",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=31",
"results": [
{
"id": "jvasp-36667",
"created_at": "2022-09-04T14:37:10.020101Z",
"updated_at": "2022-09-04T14:37:10.020121Z",
"structure_string": "Zr2 N2\n1.0\n1.603135 -2.776711 -0.000000\n1.603135 2.776711 0.000000\n0.000000 -0.000000 5.695477\nZr N\n2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333332 0.666665 0.250000 N\n0.666665 0.333332 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.892244537393419,
"density_atomic": 0.07888585131690252,
"volume": 50.70617776476905,
"volume_molar": 7.633993497525535,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.352603875,
"spacegroup": 194
},
{
"id": "jvasp-18750",
"created_at": "2022-09-04T14:36:33.435879Z",
"updated_at": "2022-09-04T14:36:33.435904Z",
"structure_string": "Zr2 Mo6\n1.0\n5.192213 0.000000 0.000000\n-0.000000 5.192213 -0.000000\n0.000000 -0.000000 5.192213\nZr Mo\n2 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n0.750000 0.000000 0.500000 Mo\n0.250000 0.000000 0.500000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Mo"
],
"chemical_system": "Mo-Zr",
"density": 8.993137197223067,
"density_atomic": 0.05715213863760937,
"volume": 139.97726403077317,
"volume_molar": 10.537034839912513,
"formula_full": "Zr2 Mo6",
"formula_reduced": "ZrMo3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.61258555,
"spacegroup": 223
},
{
"id": "jvasp-51475",
"created_at": "2022-09-04T14:37:30.847150Z",
"updated_at": "2022-09-04T14:37:30.847160Z",
"structure_string": "Zr2 Mo4 O16\n1.0\n5.946193 0.000000 0.000000\n0.000000 7.342150 0.000000\n0.000000 0.000000 9.235014\nZr Mo O\n2 4 16\ndirect\n0.000000 0.737338 -0.000044 Zr\n0.500000 0.262662 0.499956 Zr\n0.000000 0.580756 0.402423 Mo\n0.000000 0.043314 0.674988 Mo\n0.500000 0.956686 0.174988 Mo\n0.500000 0.419244 0.902423 Mo\n0.000000 0.625560 0.212383 O\n0.500000 0.374440 0.712382 O\n0.500000 0.155200 0.293920 O\n0.500000 0.779397 0.293813 O\n0.744701 0.081245 0.572769 O\n0.244701 0.918755 0.072769 O\n0.255299 0.081245 0.572769 O\n0.756851 0.448408 0.449681 O\n0.000000 0.781758 0.498013 O\n0.755299 0.918755 0.072769 O\n0.500000 0.218242 0.998013 O\n0.256851 0.551592 0.949680 O\n0.000000 0.220603 0.793813 O\n0.000000 0.844800 0.793920 O\n0.243149 0.448408 0.449681 O\n0.743148 0.551592 0.949680 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zr",
"density": 3.386303756741733,
"density_atomic": 0.05456609420521644,
"volume": 403.18077224403635,
"volume_molar": 11.036415282632216,
"formula_full": "Zr2 Mo4 O16",
"formula_reduced": "Zr(MoO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.684088572727273,
"spacegroup": 31
},
{
"id": "jvasp-20367",
"created_at": "2022-09-04T14:37:34.925578Z",
"updated_at": "2022-09-04T14:37:34.925603Z",
"structure_string": "Zr2 Mo4\n1.0\n4.659326 -0.000000 2.690064\n1.553109 4.392855 2.690064\n-0.000000 -0.000000 5.380126\nZr Mo\n2 4\ndirect\n0.125000 0.125000 0.125000 Zr\n0.875001 0.875001 0.874999 Zr\n-0.000000 0.500001 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500001 -0.000001 Mo\n0.500000 0.500001 0.499999 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mo"
],
"chemical_system": "Mo-Zr",
"density": 8.538128482867492,
"density_atomic": 0.054486490726265456,
"volume": 110.11903905031038,
"volume_molar": 11.052539225281764,
"formula_full": "Zr2 Mo4",
"formula_reduced": "ZrMo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.772158766666665,
"spacegroup": 227
},
{
"id": "jvasp-20558",
"created_at": "2022-09-04T14:37:32.880548Z",
"updated_at": "2022-09-04T14:37:32.880579Z",
"structure_string": "Zr2 Mo4\n1.0\n4.659326 -0.000000 2.690064\n1.553109 4.392855 2.690064\n-0.000000 -0.000000 5.380126\nZr Mo\n2 4\ndirect\n0.125000 0.125000 0.125000 Zr\n0.875001 0.875001 0.874999 Zr\n-0.000000 0.500001 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500001 -0.000001 Mo\n0.500000 0.500001 0.499999 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mo"
],
"chemical_system": "Mo-Zr",
"density": 8.538128482867492,
"density_atomic": 0.054486490726265456,
"volume": 110.11903905031038,
"volume_molar": 11.052539225281764,
"formula_full": "Zr2 Mo4",
"formula_reduced": "ZrMo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.772158766666665,
"spacegroup": 227
},
{
"id": "jvasp-110114",
"created_at": "2022-09-04T14:38:27.139778Z",
"updated_at": "2022-09-04T14:38:27.139803Z",
"structure_string": "Zr2 Mo2 W2\n1.0\n4.681967 0.002199 -2.674392\n-1.554728 4.389350 -2.718384\n0.004342 -0.002199 5.391953\nZr Mo W\n2 2 2\ndirect\n0.125102 0.875102 0.250000 Zr\n0.874898 0.124898 0.750000 Zr\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000001 W\n-0.000000 0.500000 0.500000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"W"
],
"chemical_system": "Mo-W-Zr",
"density": 11.116207811631595,
"density_atomic": 0.05413152002311934,
"volume": 110.8411512818673,
"volume_molar": 11.125016916997657,
"formula_full": "Zr2 Mo2 W2",
"formula_reduced": "ZrMoW",
"formula_anonymous": "ABC",
"energy_above_hull": 5.389420133333331,
"spacegroup": 74
},
{
"id": "jvasp-108898",
"created_at": "2022-09-04T14:38:19.809961Z",
"updated_at": "2022-09-04T14:38:19.809994Z",
"structure_string": "Zr2 Mn6\n1.0\n5.518982 0.000000 0.000000\n-2.759491 4.779578 0.000000\n-0.000000 -0.000000 4.355475\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.749999 Zr\n0.666667 0.333333 0.250000 Zr\n0.147826 0.295654 0.250000 Mn\n0.704346 0.852174 0.250000 Mn\n0.147827 0.852174 0.250000 Mn\n0.852174 0.704346 0.749999 Mn\n0.295654 0.147826 0.749999 Mn\n0.852173 0.147826 0.749999 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.401158277047511,
"density_atomic": 0.06963152882959706,
"volume": 114.89048329784164,
"volume_molar": 8.648583280050392,
"formula_full": "Zr2 Mn6",
"formula_reduced": "ZrMn3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.290134056034482,
"spacegroup": 194
},
{
"id": "jvasp-20585",
"created_at": "2022-09-04T14:37:31.174461Z",
"updated_at": "2022-09-04T14:37:31.174498Z",
"structure_string": "Zr2 Mn4\n1.0\n4.289781 0.000000 2.476706\n1.429927 4.044444 2.476706\n-0.000000 0.000000 4.953412\nZr Mn\n2 4\ndirect\n0.375000 0.375000 0.375000 Zr\n0.625001 0.624999 0.625001 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.771287183069146,
"density_atomic": 0.06981566042909174,
"volume": 85.94060362852113,
"volume_molar": 8.625773534172017,
"formula_full": "Zr2 Mn4",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.718032994252873,
"spacegroup": 227
},
{
"id": "jvasp-20397",
"created_at": "2022-09-04T14:37:04.320557Z",
"updated_at": "2022-09-04T14:37:04.320579Z",
"structure_string": "Zr2 Mn4\n1.0\n4.289781 0.000000 2.476706\n1.429927 4.044444 2.476706\n0.000000 0.000000 4.953412\nZr Mn\n2 4\ndirect\n0.375000 0.375000 0.375000 Zr\n0.625001 0.624999 0.625001 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.771287183069146,
"density_atomic": 0.06981566042909174,
"volume": 85.94060362852113,
"volume_molar": 8.625773534172017,
"formula_full": "Zr2 Mn4",
"formula_reduced": "ZrMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.718032994252873,
"spacegroup": 227
},
{
"id": "jvasp-56705",
"created_at": "2022-09-04T14:38:33.469768Z",
"updated_at": "2022-09-04T14:38:33.469790Z",
"structure_string": "Zr2 Mn2 Tl2 F14\n1.0\n0.000000 6.452957 -0.019694\n8.322917 0.000000 0.000000\n0.000000 -2.982258 -5.722211\nZr Mn Tl F\n2 2 2 14\ndirect\n0.309964 0.750000 0.190219 Zr\n0.690035 0.250000 0.809781 Zr\n0.691282 0.750000 0.808876 Mn\n0.308718 0.250000 0.191123 Mn\n-0.000000 0.500000 0.500000 Tl\n-0.000000 0.000000 0.500000 Tl\n0.335753 0.750000 0.531374 F\n0.503342 0.250000 0.996300 F\n0.699047 0.004914 0.800890 F\n0.338302 0.250000 0.556133 F\n0.496658 0.750000 0.003699 F\n0.300953 0.995086 0.199109 F\n0.664246 0.250000 0.468625 F\n0.968778 0.750000 0.164336 F\n0.661698 0.750000 0.443866 F\n0.031222 0.250000 0.835663 F\n0.699047 0.495086 0.800890 F\n0.056431 0.750000 0.838471 F\n0.300953 0.504915 0.199109 F\n0.943569 0.250000 0.161529 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zr",
"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Tl-Zr",
"density": 5.216963822441584,
"density_atomic": 0.06497429263036607,
"volume": 307.81404753074446,
"volume_molar": 9.268497610677368,
"formula_full": "Zr2 Mn2 Tl2 F14",
"formula_reduced": "ZrMnTlF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.513240631887931,
"spacegroup": 63
},
{
"id": "jvasp-102844",
"created_at": "2022-09-04T14:36:56.026734Z",
"updated_at": "2022-09-04T14:36:56.026744Z",
"structure_string": "Zr2 Mn2 O6\n1.0\n4.806304 0.000101 2.572317\n3.091471 4.490065 -0.000040\n0.028454 -0.019525 5.723271\nZr Mn O\n2 2 6\ndirect\n0.710279 0.144862 0.434580 Zr\n0.289718 0.855137 0.565425 Zr\n0.724316 0.637844 0.913534 Mn\n0.275685 0.362153 0.086465 Mn\n0.505383 0.446924 0.257969 O\n0.789725 0.763355 0.257969 O\n0.188959 0.047682 0.257960 O\n0.811042 0.952315 0.742040 O\n0.210274 0.236642 0.742031 O\n0.494616 0.553074 0.742031 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Zr",
"density": 5.241341036655505,
"density_atomic": 0.08128361577008632,
"volume": 123.02602320602182,
"volume_molar": 7.408800288896898,
"formula_full": "Zr2 Mn2 O6",
"formula_reduced": "ZrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.8155304482758616,
"spacegroup": 148
},
{
"id": "jvasp-44228",
"created_at": "2022-09-04T14:38:08.855719Z",
"updated_at": "2022-09-04T14:38:08.855743Z",
"structure_string": "Zr2 Mn2 O6\n1.0\n5.423345 0.000042 0.000395\n2.711633 4.696771 0.000115\n2.711257 1.565696 4.834287\nZr Mn O\n2 2 6\ndirect\n0.203152 0.203213 0.390412 Zr\n0.703148 0.703220 0.890415 Zr\n0.983997 0.984083 0.047842 Mn\n0.484002 0.484051 0.547868 Mn\n0.417237 0.811434 0.687021 O\n0.811395 0.084292 0.687052 O\n0.917216 0.584310 0.187034 O\n0.084235 0.417253 0.687061 O\n0.311381 0.917288 0.187022 O\n0.584236 0.311460 0.187062 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Zr",
"density": 5.236698468312054,
"density_atomic": 0.08121161802394151,
"volume": 123.13509130001522,
"volume_molar": 7.415368523041431,
"formula_full": "Zr2 Mn2 O6",
"formula_reduced": "ZrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.814690448275861,
"spacegroup": 161
}
]
}