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=3620",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3618",
"results": [
{
"id": "jvasp-40934",
"created_at": "2022-09-04T14:37:47.046791Z",
"updated_at": "2022-09-04T14:37:47.046812Z",
"structure_string": "Pm2 Hg1 Ge1\n1.0\n0.000000 3.714470 3.714470\n3.714470 -0.000000 3.714470\n3.714470 3.714470 -0.000000\nPm Hg Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Pm",
"density": 9.124610093887162,
"density_atomic": 0.03902468716829341,
"volume": 102.49922011546325,
"volume_molar": 15.431618283138578,
"formula_full": "Pm2 Hg1 Ge1",
"formula_reduced": "Pm2HgGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4348557249999999,
"spacegroup": 225
},
{
"id": "jvasp-64031",
"created_at": "2022-09-04T14:36:08.411726Z",
"updated_at": "2022-09-04T14:36:08.411757Z",
"structure_string": "Ba4 Si1 Cl1\n1.0\n0.000000 4.906355 4.906355\n4.906355 0.000000 4.906355\n4.906355 4.906355 0.000000\nBa Si Cl\n4 1 1\ndirect\n0.122786 0.625739 0.625739 Ba\n0.625739 0.625739 0.625739 Ba\n0.625739 0.122786 0.625739 Ba\n0.625739 0.625739 0.122786 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Cl"
],
"chemical_system": "Ba-Cl-Si",
"density": 4.308180658397794,
"density_atomic": 0.0254006218718849,
"volume": 236.21468916244132,
"volume_molar": 23.708635128597805,
"formula_full": "Ba4 Si1 Cl1",
"formula_reduced": "Ba4SiCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4348177579166666,
"spacegroup": 216
},
{
"id": "jvasp-107225",
"created_at": "2022-09-04T14:37:01.648011Z",
"updated_at": "2022-09-04T14:37:01.648029Z",
"structure_string": "Th1 In1 Cu2\n1.0\n4.183315 -0.000000 2.415238\n1.394438 3.944067 2.415238\n-0.000000 -0.000000 4.830476\nTh In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.499999 0.500000 0.500001 In\n0.749999 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"In",
"Cu"
],
"chemical_system": "Cu-In-Th",
"density": 9.874726298650781,
"density_atomic": 0.05018861497818924,
"volume": 79.69935017609679,
"volume_molar": 11.99901763102464,
"formula_full": "Th1 In1 Cu2",
"formula_reduced": "ThInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4346066175,
"spacegroup": 225
},
{
"id": "jvasp-35742",
"created_at": "2022-09-04T14:37:19.503996Z",
"updated_at": "2022-09-04T14:37:19.504023Z",
"structure_string": "Ba1 Ga1 Sn1 H1\n1.0\n2.297163 -3.978804 -0.000000\n2.297163 3.978804 0.000000\n0.000000 -0.000000 5.369202\nBa Ga Sn H\n1 1 1 1\ndirect\n-0.000000 0.000000 0.000147 Ba\n0.666666 0.333333 0.413741 Ga\n0.333333 0.666666 0.543755 Sn\n0.666666 0.333333 0.086054 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Sn",
"H"
],
"chemical_system": "Ba-Ga-H-Sn",
"density": 5.528463419705983,
"density_atomic": 0.040754530461569516,
"volume": 98.14859733869092,
"volume_molar": 14.776616714253954,
"formula_full": "Ba1 Ga1 Sn1 H1",
"formula_reduced": "BaGaSnH",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.4346049987499999,
"spacegroup": 156
},
{
"id": "jvasp-15821",
"created_at": "2022-09-04T14:36:17.363563Z",
"updated_at": "2022-09-04T14:36:17.363602Z",
"structure_string": "Cu6 P2\n1.0\n2.033253 -3.521699 0.000000\n2.033253 3.521699 -0.000000\n0.000000 0.000000 7.418529\nCu P\n6 2\ndirect\n0.333332 0.666666 0.371592 Cu\n0.666666 0.333332 0.628408 Cu\n0.333332 0.666666 0.016424 Cu\n0.666666 0.333332 0.983576 Cu\n0.000000 -0.000000 0.180449 Cu\n0.000000 -0.000000 0.819551 Cu\n0.666666 0.333332 0.300357 P\n0.333332 0.666666 0.699643 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"P"
],
"chemical_system": "Cu-P",
"density": 6.927562453058819,
"density_atomic": 0.07530061735699428,
"volume": 106.24082883773225,
"volume_molar": 7.997465321498636,
"formula_full": "Cu6 P2",
"formula_reduced": "Cu3P",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4343467125,
"spacegroup": 164
},
{
"id": "jvasp-56696",
"created_at": "2022-09-04T14:38:33.215922Z",
"updated_at": "2022-09-04T14:38:33.215940Z",
"structure_string": "K4 V4 O4 F16\n1.0\n0.000000 5.482749 -0.023283\n13.503203 0.000000 0.000000\n0.000000 -0.539139 -5.435059\nK V O F\n4 4 4 16\ndirect\n0.493396 0.882093 0.268580 K\n0.993396 0.617907 0.268580 K\n0.506604 0.117907 0.731420 K\n0.006604 0.382093 0.731420 K\n0.484410 0.644597 0.795624 V\n0.984411 0.855403 0.795623 V\n0.515589 0.355403 0.204376 V\n0.015589 0.144597 0.204376 V\n0.792487 0.080174 0.290464 O\n0.207513 0.919825 0.709536 O\n0.292486 0.419825 0.290464 O\n0.707513 0.580174 0.709536 O\n0.659021 0.754679 0.931292 F\n0.219854 0.564548 0.714901 F\n0.719854 0.935452 0.714900 F\n0.159021 0.745320 0.931292 F\n0.780146 0.435452 0.285099 F\n0.977092 0.894328 0.113779 F\n0.393184 0.719439 0.525339 F\n0.280146 0.064548 0.285099 F\n0.022908 0.105671 0.886221 F\n0.606816 0.280561 0.474661 F\n0.893184 0.780561 0.525339 F\n0.340979 0.245320 0.068708 F\n0.106816 0.219439 0.474661 F\n0.522908 0.394328 0.886220 F\n0.840979 0.254679 0.068708 F\n0.477092 0.605671 0.113779 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"V",
"O",
"F"
],
"chemical_system": "F-K-O-V",
"density": 3.003560871430543,
"density_atomic": 0.06955617646020158,
"volume": 402.5523170616048,
"volume_molar": 8.657952559318336,
"formula_full": "K4 V4 O4 F16",
"formula_reduced": "KVOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.4342038328571433,
"spacegroup": 14
},
{
"id": "jvasp-49941",
"created_at": "2022-09-04T14:38:03.995430Z",
"updated_at": "2022-09-04T14:38:03.995454Z",
"structure_string": "Na12 Cu2 O8\n1.0\n7.498902 0.000000 -0.000000\n0.000000 7.498902 0.000000\n0.000000 -0.000000 5.296991\nNa Cu O\n12 2 8\ndirect\n0.210444 0.789556 0.500000 Na\n0.289556 0.710444 0.000000 Na\n0.000000 0.500000 0.397363 Na\n0.000000 0.500000 0.897363 Na\n0.289556 0.289556 0.000000 Na\n0.710444 0.289556 0.000000 Na\n0.710444 0.710444 0.000000 Na\n0.210444 0.210444 0.500000 Na\n0.500000 0.000000 0.102637 Na\n0.500000 0.000000 0.602636 Na\n0.789556 0.789556 0.500000 Na\n0.789556 0.210444 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.249815 0.500000 0.664047 O\n0.500000 0.750185 0.335952 O\n0.749815 0.000000 0.835952 O\n0.250185 0.000000 0.835952 O\n0.500000 0.249815 0.335952 O\n0.000000 0.250185 0.164048 O\n0.750185 0.500000 0.664047 O\n0.000000 0.749815 0.164048 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 2.959987899067208,
"density_atomic": 0.07385809294321259,
"volume": 297.86850869430356,
"volume_molar": 8.153664033310818,
"formula_full": "Na12 Cu2 O8",
"formula_reduced": "Na6CuO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4341632272727271,
"spacegroup": 137
},
{
"id": "jvasp-64837",
"created_at": "2022-09-04T14:36:11.857117Z",
"updated_at": "2022-09-04T14:36:11.857135Z",
"structure_string": "Ba4 Tl1 Co1\n1.0\n-0.000000 4.968351 4.968351\n4.968351 -0.000000 4.968351\n4.968351 4.968351 -0.000000\nBa Tl Co\n4 1 1\ndirect\n0.124972 0.625009 0.625009 Ba\n0.625009 0.625009 0.625009 Ba\n0.625009 0.124972 0.625009 Ba\n0.625009 0.625009 0.124972 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Co"
],
"chemical_system": "Ba-Co-Tl",
"density": 5.501387054449081,
"density_atomic": 0.024461576606978765,
"volume": 245.28263637300591,
"volume_molar": 24.618776037035623,
"formula_full": "Ba4 Tl1 Co1",
"formula_reduced": "Ba4TlCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4340995633333333,
"spacegroup": 216
},
{
"id": "jvasp-93218",
"created_at": "2022-09-04T14:36:09.133783Z",
"updated_at": "2022-09-04T14:36:09.133810Z",
"structure_string": "Ca3 Zn3\n1.0\n4.282177 0.000000 -0.000000\n-2.141087 3.708475 0.000000\n-0.000000 0.000000 10.783621\nCa Zn\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.333333 Ca\n0.333333 0.666668 0.666667 Ca\n0.333333 0.666668 0.166667 Zn\n0.000000 -0.000000 0.500000 Zn\n0.666667 0.333333 0.833333 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.068631279469757,
"density_atomic": 0.03503697993476348,
"volume": 171.24763638794212,
"volume_molar": 17.18795618575809,
"formula_full": "Ca3 Zn3",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.4340536363636363,
"spacegroup": 225
},
{
"id": "jvasp-78432",
"created_at": "2022-09-04T14:36:33.403108Z",
"updated_at": "2022-09-04T14:36:33.403126Z",
"structure_string": "Sm1 Bi1\n1.0\n-0.000000 -0.000000 3.446162\n4.171453 0.000000 0.000000\n0.000000 4.171453 0.000000\nSm Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Bi"
],
"chemical_system": "Bi-Sm",
"density": 9.950496371042966,
"density_atomic": 0.03335182450901604,
"volume": 59.96673433740746,
"volume_molar": 18.056405754869655,
"formula_full": "Sm1 Bi1",
"formula_reduced": "SmBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.4340465874999999,
"spacegroup": 123
},
{
"id": "jvasp-102854",
"created_at": "2022-09-04T14:36:45.526324Z",
"updated_at": "2022-09-04T14:36:45.526347Z",
"structure_string": "Ca1 Zn1\n1.0\n3.485788 -0.283580 2.596129\n1.144570 3.304707 2.596129\n-0.434631 -0.283580 4.324546\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.073463787786849,
"density_atomic": 0.03509215648793013,
"volume": 56.992792696792385,
"volume_molar": 17.160930996279188,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.4339286363636364,
"spacegroup": 225
},
{
"id": "jvasp-100533",
"created_at": "2022-09-04T14:38:40.093615Z",
"updated_at": "2022-09-04T14:38:40.093632Z",
"structure_string": "Nd4 Cd2 Au4\n1.0\n3.882623 0.000000 0.000000\n-0.000000 8.097714 -0.000000\n-0.000000 0.000000 8.097714\nNd Cd Au\n4 2 4\ndirect\n0.500000 0.171462 0.671462 Nd\n0.500000 0.828537 0.328538 Nd\n0.500000 0.328538 0.171462 Nd\n0.500000 0.671462 0.828537 Nd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.628459 0.128459 Au\n0.000000 0.371540 0.871540 Au\n0.000000 0.871540 0.628459 Au\n0.000000 0.128459 0.371540 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Nd",
"density": 10.368173009987574,
"density_atomic": 0.03927804913202224,
"volume": 254.59512936571215,
"volume_molar": 15.332077058507283,
"formula_full": "Nd4 Cd2 Au4",
"formula_reduced": "Nd2CdAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4338998139999998,
"spacegroup": 127
}
]
}