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=1074",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1072",
"results": [
{
"id": "jvasp-55306",
"created_at": "2022-09-04T14:38:11.982112Z",
"updated_at": "2022-09-04T14:38:11.982135Z",
"structure_string": "Ni6 B4 O12\n1.0\n4.462586 -0.000000 0.000000\n0.000000 5.446544 0.000000\n0.000000 0.000000 8.319517\nNi B O\n6 4 12\ndirect\n0.000000 0.500000 0.815247 Ni\n0.500000 0.000000 0.684754 Ni\n0.000000 0.500000 0.184754 Ni\n0.500000 0.000000 0.315247 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.040560 0.245691 0.500000 B\n0.459440 0.745690 0.000000 B\n0.959441 0.754309 0.500000 B\n0.540561 0.254309 0.000000 B\n0.756013 0.675092 0.000000 O\n0.256012 0.824907 0.500000 O\n0.743988 0.175093 0.500000 O\n0.243988 0.324907 0.000000 O\n0.200599 0.298086 0.640764 O\n0.299402 0.798085 0.140764 O\n0.700599 0.201914 0.859236 O\n0.299402 0.798085 0.859236 O\n0.799402 0.701914 0.359236 O\n0.700599 0.201914 0.140764 O\n0.799402 0.701914 0.640764 O\n0.200599 0.298086 0.359236 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ni",
"B",
"O"
],
"chemical_system": "B-Ni-O",
"density": 4.823643920633432,
"density_atomic": 0.10879700803419742,
"volume": 202.21144310406854,
"volume_molar": 5.535208062070145,
"formula_full": "Ni6 B4 O12",
"formula_reduced": "Ni3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.778010306060606,
"spacegroup": 58
},
{
"id": "jvasp-105334",
"created_at": "2022-09-04T14:36:57.835934Z",
"updated_at": "2022-09-04T14:36:57.835953Z",
"structure_string": "Zr1 Ti1 Ni2 H2\n1.0\n5.141027 0.029506 0.000000\n-4.071496 3.139100 0.000000\n-0.000000 0.000000 3.995579\nZr Ti Ni H\n1 1 2 2\ndirect\n0.166673 0.833327 -0.000000 Zr\n0.882867 0.117135 0.500000 Ti\n0.588258 0.411743 0.500000 Ni\n0.434377 0.565624 -0.000000 Ni\n0.100052 0.899947 0.500000 H\n0.827774 0.172228 -0.000000 H\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Ni",
"H"
],
"chemical_system": "H-Ni-Ti-Zr",
"density": 6.607593735613621,
"density_atomic": 0.09236247379319448,
"volume": 64.96144758351087,
"volume_molar": 6.520116355354406,
"formula_full": "Zr1 Ti1 Ni2 H2",
"formula_reduced": "ZrTi(NiH)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.777859605555556,
"spacegroup": 38
},
{
"id": "jvasp-52207",
"created_at": "2022-09-04T14:38:19.622547Z",
"updated_at": "2022-09-04T14:38:19.622568Z",
"structure_string": "Li1 Ti1 P2 O7\n1.0\n3.288623 4.134178 0.023121\n-3.288623 4.134178 -0.023121\n-1.096202 0.000000 4.434063\nLi Ti P O\n1 1 2 7\ndirect\n0.749915 0.749915 0.000000 Li\n0.125461 0.125461 0.000000 Ti\n0.252456 0.668437 0.588899 P\n0.668437 0.252456 0.411101 P\n0.071822 0.814109 0.289925 O\n0.346262 0.844794 0.799335 O\n0.129263 0.466152 0.745320 O\n0.526178 0.526178 0.500000 O\n0.466152 0.129263 0.254680 O\n0.844795 0.346262 0.200664 O\n0.814110 0.071822 0.710074 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 3.1450198741145075,
"density_atomic": 0.09107587774926383,
"volume": 120.7784132510204,
"volume_molar": 6.612223685155401,
"formula_full": "Li1 Ti1 P2 O7",
"formula_reduced": "LiTiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.777812166666666,
"spacegroup": 5
},
{
"id": "jvasp-115934",
"created_at": "2022-09-04T14:38:50.575112Z",
"updated_at": "2022-09-04T14:38:50.575148Z",
"structure_string": "Co1 S1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nCo S O\n1 1 1\ndirect\n0.293196 -0.001972 0.000000 Co\n-0.059431 -0.066882 0.000000 S\n0.040627 0.256772 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"S",
"O"
],
"chemical_system": "Co-O-S",
"density": 0.9251552968934046,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Co1 S1 O1",
"formula_reduced": "CoSO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7777914666666668,
"spacegroup": 6
},
{
"id": "jvasp-66981",
"created_at": "2022-09-04T14:36:04.671014Z",
"updated_at": "2022-09-04T14:36:04.671039Z",
"structure_string": "Be2 V1 Co1\n1.0\n2.608367 -0.000000 0.000000\n-0.000000 2.608367 0.000000\n0.000000 0.000000 5.747074\nBe V Co\n2 1 1\ndirect\n0.000000 0.000000 0.793516 Be\n0.000000 0.000000 0.206484 Be\n0.500001 0.500001 0.500000 V\n0.500001 0.500001 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Co"
],
"chemical_system": "Be-Co-V",
"density": 5.431656077217399,
"density_atomic": 0.10230004106040078,
"volume": 39.10066856804377,
"volume_molar": 5.8867432481716815,
"formula_full": "Be2 V1 Co1",
"formula_reduced": "Be2VCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7777468250000004,
"spacegroup": 123
},
{
"id": "jvasp-67360",
"created_at": "2022-09-04T14:35:50.903296Z",
"updated_at": "2022-09-04T14:35:50.903327Z",
"structure_string": "Be2 V1 Co1\n1.0\n2.608496 -0.000000 -0.000000\n0.000000 2.608496 0.000000\n-0.000000 0.000000 5.746698\nBe V Co\n2 1 1\ndirect\n0.000000 0.000000 0.793523 Be\n0.000000 0.000000 0.206477 Be\n0.500001 0.500001 0.500000 V\n0.500001 0.500001 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Co"
],
"chemical_system": "Be-Co-V",
"density": 5.431474210610275,
"density_atomic": 0.10229661577700436,
"volume": 39.10197780852859,
"volume_molar": 5.886940358933887,
"formula_full": "Be2 V1 Co1",
"formula_reduced": "Be2VCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.777741825000001,
"spacegroup": 123
},
{
"id": "jvasp-97928",
"created_at": "2022-09-04T14:35:51.443436Z",
"updated_at": "2022-09-04T14:35:51.443461Z",
"structure_string": "Sr12 Pr8 B16 O48\n1.0\n7.325294 0.000000 0.000000\n0.000000 8.852617 0.000000\n0.000000 0.000000 16.712575\nSr Pr B O\n12 8 16 48\ndirect\n0.695510 0.648779 0.675389 Sr\n0.680419 0.651649 0.427481 Sr\n0.180419 0.848351 0.427481 Sr\n0.819580 0.151649 0.927481 Sr\n0.038400 0.327491 0.721831 Sr\n0.961600 0.672509 0.221831 Sr\n0.461600 0.827491 0.221831 Sr\n0.195510 0.851221 0.675389 Sr\n0.804490 0.148779 0.175390 Sr\n0.319580 0.348351 0.927481 Sr\n0.304490 0.351221 0.175390 Sr\n0.538400 0.172509 0.721831 Sr\n0.819118 0.035142 0.554723 Pr\n0.968264 0.671483 0.883862 Pr\n0.468265 0.828517 0.883862 Pr\n0.531735 0.171483 0.383862 Pr\n0.319118 0.464858 0.554723 Pr\n0.680881 0.535142 0.054723 Pr\n0.031735 0.328517 0.383862 Pr\n0.180882 0.964858 0.054723 Pr\n0.159631 0.061276 0.261257 B\n0.840369 0.938725 0.761257 B\n0.340369 0.561276 0.761257 B\n0.659630 0.438725 0.261257 B\n0.171614 0.049279 0.845396 B\n0.828386 0.950721 0.345396 B\n0.671613 0.450721 0.845396 B\n0.227143 0.141870 0.552387 B\n0.328386 0.549279 0.345396 B\n0.272857 0.641870 0.052387 B\n0.727142 0.358130 0.552387 B\n0.513558 0.129603 0.049324 B\n0.486442 0.870397 0.549323 B\n0.986442 0.629604 0.549323 B\n0.013558 0.370397 0.049324 B\n0.772857 0.858130 0.052387 B\n0.209857 0.529125 0.819133 O\n0.419777 0.704405 0.760110 O\n0.580222 0.295595 0.260110 O\n0.709857 0.970875 0.819133 O\n0.290142 0.029125 0.319134 O\n0.790142 0.470875 0.319134 O\n0.858112 0.995594 0.052236 O\n0.271825 0.216840 0.621606 O\n0.641887 0.495594 0.552236 O\n0.358113 0.504407 0.052236 O\n0.741950 0.781914 0.980536 O\n0.241951 0.718086 0.980536 O\n0.808570 0.490844 0.792495 O\n0.919777 0.795595 0.760110 O\n0.141887 0.004406 0.552236 O\n0.614302 0.261651 0.046244 O\n0.080222 0.204405 0.260110 O\n0.611036 0.540925 0.202746 O\n0.728175 0.783160 0.121606 O\n0.228175 0.716840 0.121606 O\n0.771824 0.283160 0.621606 O\n0.459282 0.055945 0.978678 O\n0.540717 0.944056 0.478679 O\n0.040717 0.555945 0.478679 O\n0.959282 0.444056 0.978678 O\n0.451899 0.072371 0.121920 O\n0.548100 0.927629 0.621920 O\n0.048101 0.572371 0.621920 O\n0.951899 0.427629 0.121920 O\n0.114302 0.238349 0.046244 O\n0.885697 0.761652 0.546244 O\n0.388964 0.459076 0.702746 O\n0.385697 0.738349 0.546244 O\n0.113576 0.939839 0.900618 O\n0.613576 0.560162 0.900618 O\n0.386423 0.439839 0.400618 O\n0.102020 0.193218 0.848025 O\n0.258049 0.218086 0.480536 O\n0.397980 0.693219 0.348025 O\n0.602020 0.306782 0.848025 O\n0.691430 0.990844 0.292495 O\n0.308570 0.009156 0.792495 O\n0.758049 0.281914 0.480536 O\n0.191430 0.509156 0.292495 O\n0.888964 0.040925 0.702746 O\n0.111036 0.959076 0.202746 O\n0.886423 0.060162 0.400618 O\n0.897979 0.806782 0.348025 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"B",
"O"
],
"chemical_system": "B-O-Pr-Sr",
"density": 4.779854126160161,
"density_atomic": 0.0775066884805308,
"volume": 1083.7774345255414,
"volume_molar": 7.769833646695827,
"formula_full": "Sr12 Pr8 B16 O48",
"formula_reduced": "Sr3Pr2(BO3)4",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 2.777697664920635,
"spacegroup": 33
},
{
"id": "jvasp-39191",
"created_at": "2022-09-04T14:37:51.320958Z",
"updated_at": "2022-09-04T14:37:51.320966Z",
"structure_string": "Sc1 Nb1\n1.0\n1.526682 -2.644291 0.000000\n1.526682 2.644291 -0.000000\n-0.000000 -0.000000 5.040840\nSc Nb\n1 1\ndirect\n0.333332 0.666666 0.000000 Sc\n0.666666 0.333332 0.500000 Nb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Nb"
],
"chemical_system": "Nb-Sc",
"density": 5.62475812127385,
"density_atomic": 0.04914046425250219,
"volume": 40.69965618809069,
"volume_molar": 12.25495292241436,
"formula_full": "Sc1 Nb1",
"formula_reduced": "ScNb",
"formula_anonymous": "AB",
"energy_above_hull": 2.777652325,
"spacegroup": 187
},
{
"id": "jvasp-94935",
"created_at": "2022-09-04T14:36:00.926680Z",
"updated_at": "2022-09-04T14:36:00.926705Z",
"structure_string": "V2 Co1 Se4\n1.0\n0.000000 3.401508 0.000000\n0.027182 0.000000 6.135178\n5.692222 -1.700754 -2.879303\nV Co Se\n2 1 4\ndirect\n0.743020 0.685381 0.486039 V\n0.256981 0.314619 0.513961 V\n0.000000 0.000000 0.000000 Co\n0.635420 0.976179 0.270838 Se\n0.364581 0.023821 0.729161 Se\n0.897403 0.558987 0.794804 Se\n0.102598 0.441014 0.205195 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Co",
"Se"
],
"chemical_system": "Co-Se-V",
"density": 6.6481627181754845,
"density_atomic": 0.05879566967266803,
"volume": 119.0563869579335,
"volume_molar": 10.24249029482434,
"formula_full": "V2 Co1 Se4",
"formula_reduced": "V2CoSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.777601823809524,
"spacegroup": 12
},
{
"id": "jvasp-107581",
"created_at": "2022-09-04T14:36:59.088938Z",
"updated_at": "2022-09-04T14:36:59.088954Z",
"structure_string": "Sr2 Ru1 N2\n1.0\n3.732748 -0.000000 -1.101736\n-0.326747 3.717408 -1.107039\n0.004169 0.013815 6.888381\nSr Ru N\n2 1 2\ndirect\n0.142674 0.142675 0.785349 Sr\n0.857326 0.857327 0.214650 Sr\n0.500000 0.500001 0.500000 Ru\n0.644943 0.644944 0.789885 N\n0.355057 0.355057 0.210115 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ru",
"N"
],
"chemical_system": "N-Ru-Sr",
"density": 5.2824935349011515,
"density_atomic": 0.05226663418251477,
"volume": 95.66332476164487,
"volume_molar": 11.521960145684377,
"formula_full": "Sr2 Ru1 N2",
"formula_reduced": "Sr2RuN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7775839239999995,
"spacegroup": 139
},
{
"id": "jvasp-116538",
"created_at": "2022-09-04T14:38:43.167620Z",
"updated_at": "2022-09-04T14:38:43.167640Z",
"structure_string": "Mn4 V4 Ga4 Co4\n1.0\n5.733132 -0.000000 0.000000\n0.000000 5.733132 0.000000\n0.000000 -0.000000 5.733132\nMn V Ga Co\n4 4 4 4\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.257682 0.257682 0.257682 V\n0.742317 0.742317 0.257682 V\n0.257682 0.742317 0.742317 V\n0.742317 0.257682 0.742317 V\n0.754085 0.754085 0.754085 Ga\n0.245914 0.245914 0.754085 Ga\n0.245914 0.754085 0.245914 Ga\n0.754085 0.245914 0.245914 Ga\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"V",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Mn-V",
"density": 8.266892647957727,
"density_atomic": 0.08490712961873526,
"volume": 188.4411835831217,
"volume_molar": 7.092620828241001,
"formula_full": "Mn4 V4 Ga4 Co4",
"formula_reduced": "MnVGaCo",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.7775836665948272,
"spacegroup": 215
},
{
"id": "jvasp-116744",
"created_at": "2022-09-04T14:38:51.257608Z",
"updated_at": "2022-09-04T14:38:51.257627Z",
"structure_string": "Ca8 Rh2 N8\n1.0\n5.964988 -0.014192 1.293118\n1.577244 5.258071 2.302250\n0.024226 0.032707 8.665377\nCa Rh N\n8 2 8\ndirect\n0.787321 0.586725 0.153525 Ca\n0.212679 0.413275 0.846475 Ca\n0.720500 0.213324 0.986803 Ca\n0.279500 0.786677 0.013198 Ca\n0.731567 0.476729 0.573102 Ca\n0.268434 0.523272 0.426899 Ca\n0.215225 0.956459 0.619512 Ca\n0.784775 0.043542 0.380489 Ca\n0.289630 0.145877 0.240781 Rh\n0.710370 0.854124 0.759220 Rh\n0.982999 0.676525 0.619231 N\n0.017001 0.323475 0.380769 N\n0.947073 0.857617 0.884443 N\n0.052928 0.142384 0.115557 N\n0.509357 0.618833 0.793722 N\n0.490643 0.381167 0.206279 N\n0.531400 0.833069 0.326198 N\n0.468600 0.166932 0.673803 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Rh",
"N"
],
"chemical_system": "Ca-N-Rh",
"density": 3.906112958170119,
"density_atomic": 0.06631550151410878,
"volume": 271.4297500437429,
"volume_molar": 9.081045340083532,
"formula_full": "Ca8 Rh2 N8",
"formula_reduced": "Ca4RhN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.777519742222222,
"spacegroup": 2
}
]
}