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=4000",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3998",
"results": [
{
"id": "jvasp-118845",
"created_at": "2022-09-04T14:38:29.731901Z",
"updated_at": "2022-09-04T14:38:29.731927Z",
"structure_string": "Ca3 As1 N1\n1.0\n4.737525 0.000000 0.000000\n0.000000 4.737525 0.000000\n-0.000000 -0.000000 4.737525\nCa As N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"As",
"N"
],
"chemical_system": "As-Ca-N",
"density": 3.266464645478915,
"density_atomic": 0.04702355512784914,
"volume": 106.32968916122655,
"volume_molar": 12.806647101919053,
"formula_full": "Ca3 As1 N1",
"formula_reduced": "Ca3AsN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0567652519999997,
"spacegroup": 221
},
{
"id": "jvasp-21101",
"created_at": "2022-09-04T14:38:30.382916Z",
"updated_at": "2022-09-04T14:38:30.382937Z",
"structure_string": "K4 Ca4 F12\n1.0\n6.138952 -0.000000 0.000000\n-0.000000 6.263787 0.000000\n0.000000 0.000000 8.742741\nK Ca F\n4 4 12\ndirect\n0.489183 0.043354 0.250000 K\n0.989183 0.456646 0.750000 K\n0.010817 0.543354 0.250000 K\n0.510816 0.956646 0.750000 K\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.415304 0.528048 0.750000 F\n0.915304 0.971953 0.250000 F\n0.205975 0.292175 0.044714 F\n0.705975 0.207825 0.955286 F\n0.294025 0.792175 0.455286 F\n0.705975 0.207825 0.544714 F\n0.794024 0.707826 0.955286 F\n0.294025 0.792175 0.044714 F\n0.584696 0.471953 0.250000 F\n0.205975 0.292175 0.455286 F\n0.794024 0.707826 0.544714 F\n0.084696 0.028048 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Ca",
"F"
],
"chemical_system": "Ca-F-K",
"density": 2.690397862664865,
"density_atomic": 0.05949098560544275,
"volume": 336.185386684369,
"volume_molar": 10.122778600341498,
"formula_full": "K4 Ca4 F12",
"formula_reduced": "KCaF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-32302",
"created_at": "2022-09-04T14:38:14.711943Z",
"updated_at": "2022-09-04T14:38:14.711962Z",
"structure_string": "Mg4 In4 Br12\n1.0\n3.969774 -0.000000 0.000000\n-0.000000 9.429380 0.000000\n0.000000 0.000000 15.307572\nMg In Br\n4 4 12\ndirect\n0.250000 0.662058 0.055423 Mg\n0.749999 0.337942 0.944577 Mg\n0.250000 0.162058 0.444577 Mg\n0.749999 0.837942 0.555423 Mg\n0.749999 0.046220 0.176278 In\n0.250000 0.953780 0.823722 In\n0.250000 0.453780 0.676278 In\n0.749999 0.546220 0.323722 In\n0.749999 0.327242 0.502788 Br\n0.749999 0.476232 0.101368 Br\n0.749999 0.827242 0.997211 Br\n0.250000 0.172758 0.002788 Br\n0.749999 0.724253 0.710617 Br\n0.250000 0.275747 0.289383 Br\n0.749999 0.224253 0.789383 Br\n0.250000 0.775747 0.210617 Br\n0.250000 0.023768 0.601368 Br\n0.749999 0.976232 0.398632 Br\n0.250000 0.523768 0.898632 Br\n0.250000 0.672758 0.497212 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"In",
"Br"
],
"chemical_system": "Br-In-Mg",
"density": 4.391409661044363,
"density_atomic": 0.034903964948819546,
"volume": 573.0008046170813,
"volume_molar": 17.253457504986606,
"formula_full": "Mg4 In4 Br12",
"formula_reduced": "MgInBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-38113",
"created_at": "2022-09-04T14:38:29.823322Z",
"updated_at": "2022-09-04T14:38:29.823340Z",
"structure_string": "Y2 W2 N6\n1.0\n-4.850065 -0.000000 2.762028\n-3.211496 4.564889 0.000000\n-4.835779 0.010050 -2.852208\nY W N\n2 2 6\ndirect\n0.266534 0.266534 0.200397 Y\n0.766534 0.766534 0.700397 Y\n0.507633 0.507633 0.477100 W\n0.007633 0.007633 0.977101 W\n0.322679 0.152913 0.792467 N\n0.652913 0.822680 0.292467 N\n0.731940 0.322680 0.792467 N\n0.231940 0.652913 0.292467 N\n0.822679 0.231940 0.292467 N\n0.152912 0.731940 0.792468 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 8.428304635435119,
"density_atomic": 0.08062567901688716,
"volume": 124.02996318214555,
"volume_molar": 7.469258967404981,
"formula_full": "Y2 W2 N6",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.36203704,
"spacegroup": 161
},
{
"id": "jvasp-108968",
"created_at": "2022-09-04T14:38:26.915213Z",
"updated_at": "2022-09-04T14:38:26.915238Z",
"structure_string": "Li2 Ni2 F6\n1.0\n4.503332 -0.007143 3.097897\n1.625260 4.199831 3.097897\n-0.010441 -0.007143 5.465972\nLi Ni F\n2 2 6\ndirect\n0.704670 0.704671 0.704671 Li\n0.295329 0.295330 0.295330 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 Ni\n0.730271 0.103963 0.399167 F\n0.103962 0.399168 0.730272 F\n0.399167 0.730272 0.103963 F\n0.600832 0.269729 0.896038 F\n0.896038 0.600833 0.269729 F\n0.269728 0.896038 0.600833 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ni",
"F"
],
"chemical_system": "F-Li-Ni",
"density": 3.929496328610407,
"density_atomic": 0.09648558815510107,
"volume": 103.6424215389033,
"volume_molar": 6.2414925121453155,
"formula_full": "Li2 Ni2 F6",
"formula_reduced": "LiNiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-59140",
"created_at": "2022-09-04T14:38:14.727769Z",
"updated_at": "2022-09-04T14:38:14.727801Z",
"structure_string": "Dy4 Sc4 O12\n1.0\n5.435351 0.000000 0.000000\n0.000000 5.742975 0.000000\n0.000000 0.000000 7.928961\nDy Sc O\n4 4 12\ndirect\n0.980091 0.064239 0.750000 Dy\n0.480091 0.435760 0.250000 Dy\n0.519909 0.564239 0.750000 Dy\n0.019909 0.935760 0.250000 Dy\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.370150 0.944279 0.750000 O\n0.870149 0.555720 0.250000 O\n0.689900 0.306789 0.932544 O\n0.189901 0.193210 0.067456 O\n0.810099 0.806789 0.567456 O\n0.189901 0.193210 0.432544 O\n0.310099 0.693210 0.067456 O\n0.810099 0.806789 0.932544 O\n0.629850 0.055720 0.250000 O\n0.689900 0.306789 0.567456 O\n0.310099 0.693210 0.432544 O\n0.129850 0.444279 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Sc",
"O"
],
"chemical_system": "Dy-O-Sc",
"density": 6.855532346567782,
"density_atomic": 0.0808070390153506,
"volume": 247.5031908569336,
"volume_molar": 7.452495269447995,
"formula_full": "Dy4 Sc4 O12",
"formula_reduced": "DyScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6295744499999996,
"spacegroup": 62
},
{
"id": "jvasp-36949",
"created_at": "2022-09-04T14:38:11.016714Z",
"updated_at": "2022-09-04T14:38:11.016729Z",
"structure_string": "Zn2 Ag2 F6\n1.0\n-4.926651 -0.000000 2.384262\n-3.040260 4.551200 0.000000\n-4.945407 -0.012528 -3.936644\nZn Ag F\n2 2 6\ndirect\n0.658895 0.658893 0.023317 Zn\n0.341108 0.341105 0.976681 Zn\n0.858398 0.858397 0.424809 Ag\n0.141605 0.141602 0.575189 Ag\n0.457942 0.692958 0.789567 F\n0.059534 0.457942 0.789566 F\n0.692958 0.059533 0.789567 F\n0.542058 0.307042 0.210434 F\n0.307041 0.940467 0.210434 F\n0.940465 0.542058 0.210435 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zn",
"density": 5.384717813803599,
"density_atomic": 0.07041123314586405,
"volume": 142.0227931427359,
"volume_molar": 8.552812514339184,
"formula_full": "Zn2 Ag2 F6",
"formula_reduced": "ZnAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-18204",
"created_at": "2022-09-04T14:38:15.594295Z",
"updated_at": "2022-09-04T14:38:15.594320Z",
"structure_string": "Nd3 Sn1 N1\n1.0\n5.795038 0.000000 0.000000\n-0.000000 5.795038 0.000000\n0.000000 -0.000000 5.795038\nNd Sn N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"N"
],
"chemical_system": "N-Nd-Sn",
"density": 4.824683565152055,
"density_atomic": 0.02569219088145011,
"volume": 194.611663250954,
"volume_molar": 23.439576592699282,
"formula_full": "Nd3 Sn1 N1",
"formula_reduced": "Nd3SnN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.46986589,
"spacegroup": 221
},
{
"id": "jvasp-18139",
"created_at": "2022-09-04T14:38:15.208119Z",
"updated_at": "2022-09-04T14:38:15.208144Z",
"structure_string": "Nd3 Al1 N1\n1.0\n5.505712 0.000000 0.000000\n0.000000 5.505712 0.000000\n-0.000000 0.000000 5.505712\nNd Al N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Al",
"N"
],
"chemical_system": "Al-N-Nd",
"density": 4.713299813060211,
"density_atomic": 0.029959153235529567,
"volume": 166.8939025309411,
"volume_molar": 20.10117146054095,
"formula_full": "Nd3 Al1 N1",
"formula_reduced": "Nd3AlN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.72759411,
"spacegroup": 221
},
{
"id": "jvasp-17928",
"created_at": "2022-09-04T14:38:15.590052Z",
"updated_at": "2022-09-04T14:38:15.590065Z",
"structure_string": "Y3 Pb1 C1\n1.0\n4.901352 0.000000 -0.000000\n-0.000000 4.901352 -0.000000\n0.000000 0.000000 4.901352\nY Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Pb",
"C"
],
"chemical_system": "C-Pb-Y",
"density": 6.852886919199604,
"density_atomic": 0.04246413915433448,
"volume": 117.74641143266012,
"volume_molar": 14.181709272647051,
"formula_full": "Y3 Pb1 C1",
"formula_reduced": "Y3PbC",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.065501434,
"spacegroup": 221
},
{
"id": "jvasp-17562",
"created_at": "2022-09-04T14:38:29.942636Z",
"updated_at": "2022-09-04T14:38:29.942667Z",
"structure_string": "Ce1 B1 Pd3\n1.0\n4.366425 -0.000000 0.000000\n-0.000000 4.366425 -0.000000\n-0.000000 -0.000000 4.366425\nCe B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.499999 0.499999 B\n0.000000 0.499999 0.499999 Pd\n0.499999 0.499999 0.000000 Pd\n0.499999 0.000000 0.499999 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"B",
"Pd"
],
"chemical_system": "B-Ce-Pd",
"density": 9.378679613835661,
"density_atomic": 0.060060921289804885,
"volume": 83.24880625580299,
"volume_molar": 10.026720587488285,
"formula_full": "Ce1 B1 Pd3",
"formula_reduced": "CeBPd3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3854170366666665,
"spacegroup": 221
},
{
"id": "jvasp-109068",
"created_at": "2022-09-04T14:38:15.879601Z",
"updated_at": "2022-09-04T14:38:15.879623Z",
"structure_string": "Pa1 Hg1 O3\n1.0\n4.365834 -0.000000 0.000000\n0.000000 4.365834 0.000000\n-0.000000 -0.000000 4.365834\nPa Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pa",
"Hg",
"O"
],
"chemical_system": "Hg-O-Pa",
"density": 9.570803956870662,
"density_atomic": 0.060085315810830556,
"volume": 83.21500740283594,
"volume_molar": 10.0226497584864,
"formula_full": "Pa1 Hg1 O3",
"formula_reduced": "PaHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.69002164,
"spacegroup": 221
}
]
}