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=458",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=456",
"results": [
{
"id": "jvasp-26328",
"created_at": "2022-09-04T14:38:30.628535Z",
"updated_at": "2022-09-04T14:38:30.628548Z",
"structure_string": "Sc2 As2 O8\n1.0\n5.447767 0.014982 -1.679636\n-2.964451 4.570602 -1.679765\n-0.008039 -0.015007 5.700850\nSc As O\n2 2 8\ndirect\n0.124996 0.874998 0.249998 Sc\n0.875004 0.125001 0.750002 Sc\n0.374997 0.625000 0.749997 As\n0.625003 0.374998 0.250003 As\n0.189120 0.626631 0.937516 O\n0.189120 0.251603 0.562488 O\n0.251608 0.189115 0.062493 O\n0.810880 0.373367 0.062483 O\n0.626644 0.189124 0.437519 O\n0.748392 0.810884 0.937507 O\n0.810880 0.748395 0.437512 O\n0.373356 0.810874 0.562481 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"As",
"O"
],
"chemical_system": "As-O-Sc",
"density": 4.302618358992371,
"density_atomic": 0.08454969176045929,
"volume": 141.9283707621031,
"volume_molar": 7.122605221390445,
"formula_full": "Sc2 As2 O8",
"formula_reduced": "ScAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2959585,
"spacegroup": 141
},
{
"id": "jvasp-109736",
"created_at": "2022-09-04T14:38:26.882545Z",
"updated_at": "2022-09-04T14:38:26.882569Z",
"structure_string": "Hf1 Ti1 B4\n1.0\n3.086072 -0.000000 0.000000\n-1.543036 2.672617 0.000000\n-0.000000 -0.000000 6.748933\nHf Ti B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Ti\n0.666666 0.333334 0.737287 B\n0.666666 0.333334 0.262712 B\n0.333333 0.666667 0.737287 B\n0.333333 0.666667 0.262712 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"B"
],
"chemical_system": "B-Hf-Ti",
"density": 8.04253017003157,
"density_atomic": 0.10778872949406201,
"volume": 55.664446813342714,
"volume_molar": 5.5869855672913875,
"formula_full": "Hf1 Ti1 B4",
"formula_reduced": "HfTiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.862081944444445,
"spacegroup": 191
},
{
"id": "jvasp-44130",
"created_at": "2022-09-04T14:38:17.038082Z",
"updated_at": "2022-09-04T14:38:17.038107Z",
"structure_string": "Li2 V2 F8\n1.0\n5.130822 -0.008536 0.009963\n-0.051602 4.895127 0.145568\n-1.182682 -0.064379 4.985896\nLi V F\n2 2 8\ndirect\n0.213826 0.499008 0.713444 Li\n0.786175 0.500992 0.286557 Li\n0.707336 0.958887 0.792902 V\n0.292665 0.041113 0.207099 V\n0.390486 0.788487 0.525746 F\n0.978212 0.787211 0.109045 F\n0.482051 0.757445 0.024206 F\n0.892420 0.716047 0.607265 F\n0.107580 0.283953 0.392736 F\n0.517950 0.242555 0.975795 F\n0.021789 0.212789 0.890956 F\n0.609515 0.211513 0.474255 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.5475115766469294,
"density_atomic": 0.09574649408111653,
"volume": 125.33095979298821,
"volume_molar": 6.289672345493962,
"formula_full": "Li2 V2 F8",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.322462555,
"spacegroup": 12
},
{
"id": "jvasp-21495",
"created_at": "2022-09-04T14:38:29.786095Z",
"updated_at": "2022-09-04T14:38:29.786107Z",
"structure_string": "Mg2 S2 O8\n1.0\n4.735822 0.006599 -0.000000\n-1.876869 4.348036 -0.000000\n-0.000000 0.000000 6.465468\nMg S O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.352137 0.647863 0.750000 S\n0.647862 0.352138 0.250000 S\n0.229304 0.302208 0.750000 O\n0.770696 0.697793 0.250000 O\n0.302207 0.229304 0.250000 O\n0.697793 0.770697 0.750000 O\n0.250522 0.749479 0.938280 O\n0.749478 0.250522 0.438279 O\n0.749478 0.250522 0.061721 O\n0.250522 0.749479 0.561721 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"S",
"O"
],
"chemical_system": "Mg-O-S",
"density": 3.0008140431983112,
"density_atomic": 0.09008067570826375,
"volume": 133.21392080653712,
"volume_molar": 6.685274852403827,
"formula_full": "Mg2 S2 O8",
"formula_reduced": "MgSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.630118841666667,
"spacegroup": 63
},
{
"id": "jvasp-64012",
"created_at": "2022-09-04T14:38:17.052289Z",
"updated_at": "2022-09-04T14:38:17.052311Z",
"structure_string": "Ba4 Be1 Pd1\n1.0\n0.000000 4.870440 4.870440\n4.870440 0.000000 4.870440\n4.870440 4.870440 0.000000\nBa Be Pd\n4 1 1\ndirect\n0.123949 0.625351 0.625351 Ba\n0.625351 0.625351 0.625351 Ba\n0.625351 0.123949 0.625351 Ba\n0.625351 0.625351 0.123949 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Pd"
],
"chemical_system": "Ba-Be-Pd",
"density": 4.777123190311249,
"density_atomic": 0.02596669411796418,
"volume": 231.0652242731624,
"volume_molar": 23.191788421899215,
"formula_full": "Ba4 Be1 Pd1",
"formula_reduced": "Ba4BePd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6073059466666666,
"spacegroup": 216
},
{
"id": "jvasp-57860",
"created_at": "2022-09-04T14:38:28.467570Z",
"updated_at": "2022-09-04T14:38:28.467594Z",
"structure_string": "Al2 P2 O8\n1.0\n0.000000 4.938855 0.028914\n8.232127 0.000000 0.000000\n0.000000 -2.418293 -4.490199\nAl P O\n2 2 8\ndirect\n0.556162 0.067933 0.329511 Al\n0.443838 0.567933 0.670490 Al\n0.770534 0.441444 0.322646 P\n0.229467 0.941444 0.677355 P\n0.589465 0.558225 0.417400 O\n0.410535 0.058225 0.582601 O\n0.115195 0.444734 0.551468 O\n0.884805 0.944735 0.448534 O\n0.649235 0.268642 0.301992 O\n0.350765 0.768643 0.698009 O\n0.270398 0.995724 -0.017363 O\n0.729602 0.495723 0.017364 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 2.225557394360533,
"density_atomic": 0.06593998094505162,
"volume": 181.98367406262537,
"volume_molar": 9.132760843559092,
"formula_full": "Al2 P2 O8",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1850120500000005,
"spacegroup": 4
},
{
"id": "jvasp-108803",
"created_at": "2022-09-04T14:38:17.469789Z",
"updated_at": "2022-09-04T14:38:17.469810Z",
"structure_string": "Be4 In1 Cu1\n1.0\n3.908996 0.000000 2.256860\n1.302999 3.685437 2.256860\n0.000000 0.000000 4.513720\nBe In Cu\n4 1 1\ndirect\n0.623322 0.623322 0.130036 Be\n0.623322 0.130037 0.623321 Be\n0.130037 0.623322 0.623321 Be\n0.623322 0.623322 0.623321 Be\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"In",
"Cu"
],
"chemical_system": "Be-Cu-In",
"density": 5.475336655659216,
"density_atomic": 0.09227040307092861,
"volume": 65.02626844913398,
"volume_molar": 6.5266223616371954,
"formula_full": "Be4 In1 Cu1",
"formula_reduced": "Be4InCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2204875587499997,
"spacegroup": 216
},
{
"id": "jvasp-20985",
"created_at": "2022-09-04T14:38:28.409703Z",
"updated_at": "2022-09-04T14:38:28.409723Z",
"structure_string": "Tb2 P2 O8\n1.0\n5.547105 0.011732 -1.602892\n-3.133827 4.577078 -1.602892\n-0.006170 -0.011732 5.774046\nTb P O\n2 2 8\ndirect\n0.125000 0.875000 0.250001 Tb\n0.874999 0.125000 0.750001 Tb\n0.375000 0.625000 0.750001 P\n0.624999 0.375000 0.250000 P\n0.783619 0.358723 0.075102 O\n0.708517 0.783620 0.924899 O\n0.358722 0.783620 0.575103 O\n0.783619 0.708518 0.424899 O\n0.291481 0.216380 0.075102 O\n0.216380 0.641278 0.924899 O\n0.216380 0.291482 0.575102 O\n0.641277 0.216380 0.424899 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"P",
"O"
],
"chemical_system": "O-P-Tb",
"density": 5.751613570461425,
"density_atomic": 0.08185303289098449,
"volume": 146.60421949156282,
"volume_molar": 7.357260381567723,
"formula_full": "Tb2 P2 O8",
"formula_reduced": "TbPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0628663166666668,
"spacegroup": 141
},
{
"id": "jvasp-117337",
"created_at": "2022-09-04T14:38:26.115511Z",
"updated_at": "2022-09-04T14:38:26.115540Z",
"structure_string": "Nd4 C4 O16\n1.0\n4.971678 0.000000 0.000000\n0.000000 7.420506 0.000000\n-0.000000 0.000000 7.972397\nNd C O\n4 4 16\ndirect\n0.250000 0.353654 0.326249 Nd\n0.250000 0.853654 0.173751 Nd\n0.750000 0.646347 0.673752 Nd\n0.750000 0.146347 0.826249 Nd\n0.250000 0.309300 0.692240 C\n0.250000 0.809300 0.807760 C\n0.750000 0.690701 0.307760 C\n0.750000 0.190701 0.192240 C\n0.475985 0.857650 0.876362 O\n0.024016 0.357650 0.623639 O\n0.024016 0.857650 0.876362 O\n0.475985 0.357650 0.623639 O\n0.524016 0.142351 0.123639 O\n0.975985 0.642351 0.376361 O\n0.250000 0.203764 0.818898 O\n0.750000 0.461024 0.919540 O\n0.750000 0.796237 0.181102 O\n0.750000 0.296236 0.318898 O\n0.524016 0.642351 0.376361 O\n0.750000 0.961024 0.580460 O\n0.250000 0.538977 0.080460 O\n0.250000 0.038977 0.419540 O\n0.250000 0.703764 0.681102 O\n0.975985 0.142351 0.123639 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"C",
"O"
],
"chemical_system": "C-Nd-O",
"density": 4.973935701506149,
"density_atomic": 0.08159918311850857,
"volume": 294.1205914420024,
"volume_molar": 7.3801483419924585,
"formula_full": "Nd4 C4 O16",
"formula_reduced": "NdCO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.843552583333333,
"spacegroup": 62
},
{
"id": "jvasp-111367",
"created_at": "2022-09-04T14:38:26.015435Z",
"updated_at": "2022-09-04T14:38:26.015465Z",
"structure_string": "Ho1 Al1 Cu4\n1.0\n5.138829 -0.000000 0.000000\n-2.569414 4.450357 0.000000\n-0.000000 -0.000000 4.009342\nHo Al Cu\n1 1 4\ndirect\n0.666667 0.333334 -0.000000 Ho\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 -0.000000 Cu\n0.665465 0.832733 0.500000 Cu\n0.167268 0.832733 0.500000 Cu\n0.167268 0.334536 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Ho",
"density": 8.07876859113907,
"density_atomic": 0.06543635952075967,
"volume": 91.69214247159488,
"volume_molar": 9.20304980916531,
"formula_full": "Ho1 Al1 Cu4",
"formula_reduced": "HoAlCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2133066944444443,
"spacegroup": 187
},
{
"id": "jvasp-109350",
"created_at": "2022-09-04T14:38:28.005935Z",
"updated_at": "2022-09-04T14:38:28.005968Z",
"structure_string": "V1 Cr1 B4\n1.0\n2.986250 -0.000000 0.000000\n-1.493125 2.586169 0.000000\n-0.000000 -0.000000 5.987886\nV Cr B\n1 1 4\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Cr\n0.666666 0.333333 0.752877 B\n0.666666 0.333333 0.247124 B\n0.333332 0.666667 0.752877 B\n0.333332 0.666667 0.247124 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"Cr",
"B"
],
"chemical_system": "B-Cr-V",
"density": 5.24910452245006,
"density_atomic": 0.1297462046211187,
"volume": 46.2441272754069,
"volume_molar": 4.641477396264261,
"formula_full": "V1 Cr1 B4",
"formula_reduced": "VCrB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.9170086555555566,
"spacegroup": 191
},
{
"id": "jvasp-109167",
"created_at": "2022-09-04T14:38:17.881268Z",
"updated_at": "2022-09-04T14:38:17.881289Z",
"structure_string": "La1 Nd1 Al4\n1.0\n4.961310 0.000000 2.864413\n1.653770 4.677568 2.864413\n-0.000000 0.000000 5.728827\nLa Nd Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Nd\n0.624901 0.624902 0.125295 Al\n0.624901 0.125296 0.624901 Al\n0.125296 0.624902 0.624901 Al\n0.624901 0.624902 0.624901 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Nd",
"Al"
],
"chemical_system": "Al-La-Nd",
"density": 4.884559929163528,
"density_atomic": 0.045130388170832265,
"volume": 132.94811419055765,
"volume_molar": 13.343870957201528,
"formula_full": "La1 Nd1 Al4",
"formula_reduced": "LaNdAl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8096696166666668,
"spacegroup": 216
}
]
}