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=101",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=99",
"results": [
{
"id": "jvasp-67595",
"created_at": "2022-09-04T14:36:17.745517Z",
"updated_at": "2022-09-04T14:36:17.745544Z",
"structure_string": "Be1 Nb4 Ru1\n1.0\n0.000000 3.741972 3.741972\n3.741972 -0.000000 3.741972\n3.741972 3.741972 -0.000000\nBe Nb Ru\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124557 0.625147 0.625147 Nb\n0.625147 0.625147 0.625147 Nb\n0.625147 0.124557 0.625147 Nb\n0.625147 0.625147 0.124557 Nb\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Ru"
],
"chemical_system": "Be-Nb-Ru",
"density": 7.633102453270914,
"density_atomic": 0.05725582202750522,
"volume": 104.79283656285033,
"volume_molar": 10.517953540352655,
"formula_full": "Be1 Nb4 Ru1",
"formula_reduced": "BeNb4Ru",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.322154033333334,
"spacegroup": 216
},
{
"id": "jvasp-86163",
"created_at": "2022-09-04T14:36:20.653673Z",
"updated_at": "2022-09-04T14:36:20.653712Z",
"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.188275 0.093253 -3.180936\n-1.783955 5.718297 -3.298190\n0.076883 -0.043608 6.969543\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.211010 0.743700 0.488301 K\n0.788987 0.256300 0.511697 K\n0.500000 0.500001 0.000000 Fe\n0.000002 0.999999 0.000001 Cu\n0.719759 0.721548 0.067181 C\n0.280241 0.278451 0.932817 C\n0.409381 0.323778 0.646497 C\n0.719434 0.345245 0.066295 C\n0.590620 0.676223 0.353504 C\n0.280566 0.654755 0.933703 C\n0.645899 0.785041 0.571895 N\n0.129302 0.144226 0.878364 N\n0.129767 0.734710 0.879693 N\n0.870233 0.265287 0.120304 N\n0.870697 0.855773 0.121633 N\n0.354098 0.214960 0.428105 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"K",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-K-N",
"density": 2.367996450698989,
"density_atomic": 0.06450994854378524,
"volume": 248.02376007384694,
"volume_molar": 9.335212468682338,
"formula_full": "K2 Fe1 Cu1 C6 N6",
"formula_reduced": "K2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.321241340625,
"spacegroup": 12
},
{
"id": "jvasp-86765",
"created_at": "2022-09-04T14:35:57.294541Z",
"updated_at": "2022-09-04T14:35:57.294551Z",
"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.188417 0.092622 -3.181383\n-1.783586 5.720126 -3.294822\n0.078233 -0.046180 6.968815\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.211045 0.743690 0.488297 K\n0.788954 0.256310 0.511703 K\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Cu\n0.719742 0.721715 0.067344 C\n0.280257 0.278285 0.932656 C\n0.409340 0.324002 0.646484 C\n0.719408 0.345219 0.066070 C\n0.590660 0.675998 0.353516 C\n0.280591 0.654781 0.933930 C\n0.645964 0.784719 0.571916 N\n0.129304 0.143951 0.878059 N\n0.129817 0.734762 0.880059 N\n0.870181 0.265238 0.119940 N\n0.870696 0.856049 0.121940 N\n0.354035 0.215282 0.428084 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"K",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-K-N",
"density": 2.3679064966037213,
"density_atomic": 0.0645074979767435,
"volume": 248.03318221656005,
"volume_molar": 9.335567102867834,
"formula_full": "K2 Fe1 Cu1 C6 N6",
"formula_reduced": "K2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.321241340625,
"spacegroup": 12
},
{
"id": "jvasp-85366",
"created_at": "2022-09-04T14:35:55.667022Z",
"updated_at": "2022-09-04T14:35:55.667057Z",
"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.133066 -0.153092 3.285873\n1.783807 5.730518 3.545344\n-0.189350 0.148647 6.966177\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.711122 0.756053 0.755619 K\n0.288912 0.243954 0.244342 K\n-0.000001 -0.000005 -0.000003 Fe\n0.499978 0.500020 0.500018 Cu\n0.090671 0.823484 0.822994 C\n0.909324 0.176508 0.177009 C\n0.219651 0.778602 0.154496 C\n0.780499 0.845327 0.221166 C\n0.780353 0.221393 0.845499 C\n0.219500 0.154672 0.778826 C\n0.629446 0.355544 0.765708 N\n0.854010 0.285540 0.286380 N\n0.370329 0.234573 0.644808 N\n0.629663 0.765437 0.355197 N\n0.145993 0.714442 0.713631 N\n0.370555 0.644473 0.234298 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"K",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-K-N",
"density": 2.367837024041673,
"density_atomic": 0.06450560537618591,
"volume": 248.0404595335657,
"volume_molar": 9.335841009288854,
"formula_full": "K2 Fe1 Cu1 C6 N6",
"formula_reduced": "K2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.321238215625,
"spacegroup": 12
},
{
"id": "jvasp-59630",
"created_at": "2022-09-04T14:37:05.117553Z",
"updated_at": "2022-09-04T14:37:05.117577Z",
"structure_string": "Rb2 Fe1 Cu1 C6 N6\n1.0\n6.295837 0.000000 3.634903\n2.098612 5.935771 3.634903\n-0.000000 0.000000 7.269806\nRb Fe Cu C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.182579 0.817421 0.182579 C\n0.817421 0.182579 0.817421 C\n0.182579 0.817421 0.817421 C\n0.817421 0.817421 0.182578 C\n0.817421 0.182579 0.182578 C\n0.182579 0.182579 0.817421 C\n0.703095 0.703095 0.296905 N\n0.296905 0.703095 0.703095 N\n0.703095 0.296905 0.703095 N\n0.296905 0.703095 0.296905 N\n0.703095 0.296905 0.296905 N\n0.296905 0.296905 0.703095 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-N-Rb",
"density": 2.7286636591414375,
"density_atomic": 0.05889338920540941,
"volume": 271.6773514968703,
"volume_molar": 10.225495325113435,
"formula_full": "Rb2 Fe1 Cu1 C6 N6",
"formula_reduced": "Rb2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.320863465625,
"spacegroup": 225
},
{
"id": "jvasp-94853",
"created_at": "2022-09-04T14:36:22.282133Z",
"updated_at": "2022-09-04T14:36:22.282160Z",
"structure_string": "Ta1 Mn2 B4\n1.0\n-0.000000 -0.000000 3.034751\n3.176291 -0.000000 -0.000000\n-1.588145 6.440699 -1.517375\nTa Mn B\n1 2 4\ndirect\n0.500000 0.000000 0.000000 Ta\n0.187427 0.187427 0.374853 Mn\n0.812575 0.812574 0.625147 Mn\n0.353627 0.353627 0.707252 B\n0.646374 0.646374 0.292748 B\n0.927585 0.427585 0.855167 B\n0.072417 0.572416 0.144833 B\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"B"
],
"chemical_system": "B-Mn-Ta",
"density": 8.935268040077204,
"density_atomic": 0.11275133416408864,
"volume": 62.08352257555374,
"volume_molar": 5.341081597523177,
"formula_full": "Ta1 Mn2 B4",
"formula_reduced": "Ta(MnB2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.32043200229885,
"spacegroup": 71
},
{
"id": "jvasp-35086",
"created_at": "2022-09-04T14:37:30.574329Z",
"updated_at": "2022-09-04T14:37:30.574359Z",
"structure_string": "Ta1 Ti2 N3\n1.0\n2.527338 -4.377479 0.000000\n2.527338 4.377479 -0.000000\n0.000000 -0.000000 2.867761\nTa Ti N\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n0.000000 0.500000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"N"
],
"chemical_system": "N-Ta-Ti",
"density": 8.340143257730457,
"density_atomic": 0.09455639404682953,
"volume": 63.454196413501876,
"volume_molar": 6.368835043579925,
"formula_full": "Ta1 Ti2 N3",
"formula_reduced": "TaTi2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.320127602777778,
"spacegroup": 191
},
{
"id": "jvasp-105379",
"created_at": "2022-09-04T14:38:44.486826Z",
"updated_at": "2022-09-04T14:38:44.486845Z",
"structure_string": "Ti2 As4 W3\n1.0\n5.138373 0.006772 4.746829\n4.036793 3.179186 4.746829\n-0.017608 -0.006114 9.549376\nTi As W\n2 4 3\ndirect\n0.998524 0.998527 0.002650 Ti\n0.632213 0.632217 0.669813 Ti\n0.713852 0.713855 0.340519 As\n0.279073 0.279076 0.667234 As\n0.053349 0.053350 0.237143 As\n0.946855 0.946860 0.768013 As\n0.374100 0.374102 0.318283 W\n0.306305 0.306306 0.060660 W\n0.695712 0.695716 0.935691 W\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"As",
"W"
],
"chemical_system": "As-Ti-W",
"density": 10.077545447381485,
"density_atomic": 0.057680037200188085,
"volume": 156.03318646907275,
"volume_molar": 10.440597912756484,
"formula_full": "Ti2 As4 W3",
"formula_reduced": "Ti2As4W3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 5.318794851851852,
"spacegroup": 8
},
{
"id": "jvasp-101986",
"created_at": "2022-09-04T14:36:44.088921Z",
"updated_at": "2022-09-04T14:36:44.088948Z",
"structure_string": "H16 C20\n1.0\n7.112449 0.000000 -3.096578\n0.000000 5.850792 0.000000\n-0.080266 0.000000 7.941571\nH C\n16 20\ndirect\n0.475855 0.069372 0.840776 H\n0.345912 0.809954 0.380407 H\n0.654088 0.190046 0.619593 H\n0.654088 0.309954 0.119593 H\n0.978474 0.078067 0.830424 H\n0.021526 0.921932 0.169575 H\n0.021525 0.578067 0.669575 H\n0.978474 0.421933 0.330424 H\n0.345911 0.690046 0.880407 H\n0.720008 0.832333 0.907422 H\n0.720008 0.667666 0.407422 H\n0.279991 0.332333 0.592577 H\n0.475856 0.430627 0.340776 H\n0.524144 0.569372 0.659224 H\n0.524144 0.930627 0.159224 H\n0.279992 0.167666 0.092577 H\n0.962858 0.608423 0.011158 C\n0.740529 0.194301 0.229512 C\n0.259470 0.805699 0.770488 C\n0.921496 0.242790 0.846364 C\n0.078503 0.757210 0.153636 C\n0.078503 0.742790 0.653636 C\n0.921497 0.257210 0.346364 C\n0.037141 0.391577 0.988842 C\n0.962858 0.891576 0.511158 C\n0.667068 0.980094 0.251707 C\n0.224421 0.332721 0.110105 C\n0.775579 0.667279 0.889894 C\n0.775579 0.832721 0.389895 C\n0.224420 0.167279 0.610105 C\n0.332932 0.480094 0.248293 C\n0.667067 0.519906 0.751707 C\n0.740529 0.305699 0.729511 C\n0.332932 0.019906 0.748293 C\n0.037142 0.108423 0.488842 C\n0.259471 0.694301 0.270488 C\n",
"nsites": 36,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2937258642830565,
"density_atomic": 0.10941516560956237,
"volume": 329.0220308989211,
"volume_molar": 5.503936064484368,
"formula_full": "H16 C20",
"formula_reduced": "H4C5",
"formula_anonymous": "A4B5",
"energy_above_hull": 5.318262222222223,
"spacegroup": 14
},
{
"id": "jvasp-99670",
"created_at": "2022-09-04T14:36:33.472395Z",
"updated_at": "2022-09-04T14:36:33.472418Z",
"structure_string": "W2 N4\n1.0\n5.218170 -0.110740 -3.103892\n-1.741688 4.920171 -3.103892\n0.080048 0.110740 6.070999\nW N\n2 4\ndirect\n0.500000 0.500000 0.000000 W\n0.250000 0.750000 0.500000 W\n0.875000 0.625460 0.250460 N\n0.375460 0.125000 0.750460 N\n0.375000 0.624540 0.749541 N\n0.374540 0.625000 0.249541 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 4.443489596040767,
"density_atomic": 0.037893165493969636,
"volume": 158.33989907638747,
"volume_molar": 15.892419336036658,
"formula_full": "W2 N4",
"formula_reduced": "WN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.316882166666666,
"spacegroup": 227
},
{
"id": "jvasp-41600",
"created_at": "2022-09-04T14:37:43.735751Z",
"updated_at": "2022-09-04T14:37:43.735774Z",
"structure_string": "V2 Re1 Os1\n1.0\n0.000000 3.032146 3.032146\n3.032146 0.000000 3.032146\n3.032146 3.032146 -0.000000\nV Re Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.750001 0.750001 0.750001 Re\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Re",
"Os"
],
"chemical_system": "Os-Re-V",
"density": 14.245815487844395,
"density_atomic": 0.07174302236028962,
"volume": 55.75455101281089,
"volume_molar": 8.394043855243694,
"formula_full": "V2 Re1 Os1",
"formula_reduced": "V2ReOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.31680285,
"spacegroup": 225
},
{
"id": "jvasp-119202",
"created_at": "2022-09-04T14:38:52.048902Z",
"updated_at": "2022-09-04T14:38:52.048930Z",
"structure_string": "Cr8 B12 Os4\n1.0\n2.915490 0.000000 0.000000\n0.000000 4.252037 0.031784\n0.000000 -0.008949 17.443303\nCr B Os\n8 12 4\ndirect\n-0.000000 0.890892 0.604325 Cr\n-0.000000 0.882774 0.274676 Cr\n0.500000 0.395309 0.892757 Cr\n0.500000 0.376499 0.563164 Cr\n0.500000 0.372870 0.235234 Cr\n0.500000 0.113928 0.718111 Cr\n0.500000 0.103625 0.389164 Cr\n0.500000 0.114211 0.064104 Cr\n0.500000 0.603207 0.012155 B\n0.500000 0.604599 0.343140 B\n0.500000 0.611038 0.670966 B\n0.500000 0.897023 0.182914 B\n0.500000 0.898685 0.511806 B\n0.500000 0.910249 0.840480 B\n-0.000000 0.388001 0.990392 B\n-0.000000 0.387095 0.651268 B\n-0.000000 0.108599 0.159964 B\n-0.000000 0.110644 0.488272 B\n-0.000000 0.128142 0.819036 B\n-0.000000 0.380342 0.323146 B\n-0.000000 0.601247 0.114359 Os\n-0.000000 0.617147 0.768232 Os\n-0.000000 0.603755 0.441381 Os\n-0.000000 0.900120 0.940949 Os\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"B",
"Os"
],
"chemical_system": "B-Cr-Os",
"density": 10.033667000481318,
"density_atomic": 0.11098703777575887,
"volume": 216.2414682018114,
"volume_molar": 5.425985665251551,
"formula_full": "Cr8 B12 Os4",
"formula_reduced": "Cr2B3Os",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.314722925000001,
"spacegroup": 6
}
]
}