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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4180",
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"results": [
{
"id": "jvasp-12875",
"created_at": "2022-09-04T14:38:16.021822Z",
"updated_at": "2022-09-04T14:38:16.021846Z",
"structure_string": "Rb4 B4 S12\n1.0\n5.799129 -0.018156 0.000000\n-2.031175 6.729397 0.000000\n0.000000 0.000000 11.837633\nRb B S\n4 4 12\ndirect\n0.207315 0.258816 0.421094 Rb\n0.792684 0.741184 0.578906 Rb\n0.707315 0.258816 0.078906 Rb\n0.292684 0.741184 0.921094 Rb\n0.666377 0.703319 0.230466 B\n0.166377 0.703319 0.269534 B\n0.333623 0.296681 0.769534 B\n0.833623 0.296681 0.730466 B\n0.335813 0.063552 0.678669 S\n0.835813 0.063552 0.821330 S\n0.664186 0.936448 0.321330 S\n0.337148 0.805031 0.405225 S\n0.662851 0.194969 0.594774 S\n0.837148 0.805031 0.094774 S\n0.346617 0.547194 0.193549 S\n0.153383 0.452806 0.693549 S\n0.653383 0.452806 0.806451 S\n0.846617 0.547194 0.306451 S\n0.164186 0.936448 0.178669 S\n0.162851 0.194969 0.905225 S\n",
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"volume": 461.52283322216164,
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"formula_full": "Rb4 B4 S12",
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},
{
"id": "jvasp-37213",
"created_at": "2022-09-04T14:37:53.460948Z",
"updated_at": "2022-09-04T14:37:53.460979Z",
"structure_string": "Si3 H1\n1.0\n0.000000 2.945761 2.945761\n2.945761 -0.000000 2.945761\n2.945761 2.945761 0.000000\nSi H\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500001 0.500001 0.500001 Si\n0.249999 0.249999 0.249999 Si\n0.749999 0.749999 0.749999 H\n",
"nsites": 4,
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"volume": 51.123728516099504,
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"formula_full": "Si3 H1",
"formula_reduced": "Si3H",
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"spacegroup": 225
},
{
"id": "jvasp-79222",
"created_at": "2022-09-04T14:36:47.903028Z",
"updated_at": "2022-09-04T14:36:47.903047Z",
"structure_string": "Mg3 Ga1\n1.0\n3.206211 -0.000000 0.000000\n-1.603106 2.776660 -0.000000\n-0.000000 0.000000 9.607387\nMg Ga\n3 1\ndirect\n0.666666 0.333333 0.000000 Mg\n0.000000 0.000000 0.732645 Mg\n0.000000 0.000000 0.267355 Mg\n0.666666 0.333333 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.7692632948864015,
"density_atomic": 0.04676704207594184,
"volume": 85.53031841322507,
"volume_molar": 12.876890418301532,
"formula_full": "Mg3 Ga1",
"formula_reduced": "Mg3Ga",
"formula_anonymous": "AB3",
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"spacegroup": 187
},
{
"id": "jvasp-38247",
"created_at": "2022-09-04T14:37:59.597997Z",
"updated_at": "2022-09-04T14:37:59.598011Z",
"structure_string": "Rb3 Dy1\n1.0\n0.000000 5.007949 5.007949\n5.007949 -0.000000 5.007949\n5.007949 5.007949 -0.000000\nRb Dy\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250001 0.250001 0.250001 Rb\n0.750001 0.750001 0.750001 Dy\n",
"nsites": 4,
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"elements": [
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"Dy"
],
"chemical_system": "Dy-Rb",
"density": 2.7691934438774197,
"density_atomic": 0.0159239315951716,
"volume": 251.1942466025706,
"volume_molar": 37.8181777785708,
"formula_full": "Rb3 Dy1",
"formula_reduced": "Rb3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101949",
"created_at": "2022-09-04T14:37:14.994697Z",
"updated_at": "2022-09-04T14:37:14.994718Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n4.651490 0.115327 1.721861\n2.535370 4.367645 0.020918\n0.227801 -0.140045 6.957904\nCd H C O\n1 4 4 4\ndirect\n0.984160 0.868405 0.279202 Cd\n0.201228 -0.007536 0.587959 H\n0.369553 0.085083 0.740322 H\n0.766017 0.199820 0.967016 H\n0.606545 0.465517 0.816817 H\n0.219117 0.400683 0.540499 C\n0.165959 0.189156 0.685621 C\n0.809380 0.362558 0.871923 C\n0.765492 0.615063 0.019895 C\n0.517807 0.333543 0.409789 O\n0.949209 0.648944 0.553937 O\n0.040800 0.578659 0.016499 O\n0.471976 0.850765 0.142013 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.7691317663219284,
"density_atomic": 0.09488196710516118,
"volume": 137.01233644947118,
"volume_molar": 6.346981353501492,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
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"spacegroup": 1
},
{
"id": "jvasp-117688",
"created_at": "2022-09-04T14:38:26.494277Z",
"updated_at": "2022-09-04T14:38:26.494295Z",
"structure_string": "Li1 Be1 Se1\n1.0\n4.238896 -0.000000 -0.000000\n-2.119448 3.670991 0.000000\n-0.000000 0.000000 3.657731\nLi Be Se\n1 1 1\ndirect\n0.333334 0.666666 0.000000 Li\n0.000000 0.000000 0.000000 Be\n0.666668 0.333333 0.000000 Se\n",
"nsites": 3,
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"elements": [
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"Be",
"Se"
],
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"density": 2.7690308019756213,
"density_atomic": 0.05270762052009458,
"volume": 56.917765787895156,
"volume_molar": 11.425559910647232,
"formula_full": "Li1 Be1 Se1",
"formula_reduced": "LiBeSe",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-117976",
"created_at": "2022-09-04T14:38:49.221839Z",
"updated_at": "2022-09-04T14:38:49.221865Z",
"structure_string": "Ca1 Ga1 N1\n1.0\n4.497589 -0.000000 -0.000000\n-2.248795 3.895027 0.000000\n-0.000000 -0.000000 4.238384\nCa Ga N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333335 0.666667 0.000000 Ga\n0.666668 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Ga",
"N"
],
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"density": 2.7688932531958614,
"density_atomic": 0.04040459097274775,
"volume": 74.24898824055543,
"volume_molar": 14.904595282406985,
"formula_full": "Ca1 Ga1 N1",
"formula_reduced": "CaGaN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5028853316666662,
"spacegroup": 187
},
{
"id": "jvasp-110827",
"created_at": "2022-09-04T14:38:37.457706Z",
"updated_at": "2022-09-04T14:38:37.457723Z",
"structure_string": "Mg1 Sc3\n1.0\n3.233343 0.000000 0.000000\n-1.616672 2.800157 0.000000\n-0.000000 -0.000000 10.545267\nMg Sc\n1 3\ndirect\n0.333334 0.666667 0.500000 Mg\n0.666666 0.333334 0.757711 Sc\n0.333334 0.666667 -0.000000 Sc\n0.666666 0.333334 0.242289 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.768382137822476,
"density_atomic": 0.04189558422165469,
"volume": 95.47545581026911,
"volume_molar": 14.37416585036501,
"formula_full": "Mg1 Sc3",
"formula_reduced": "MgSc3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.832937675,
"spacegroup": 187
},
{
"id": "jvasp-8594",
"created_at": "2022-09-04T14:37:03.458782Z",
"updated_at": "2022-09-04T14:37:03.458804Z",
"structure_string": "K2 Sn1 Cl6\n1.0\n6.088527 -0.000000 3.515213\n2.029509 5.740318 3.515213\n-0.000000 -0.000000 7.030425\nK Sn Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Sn\n0.247596 0.752404 0.752404 Cl\n0.247596 0.752404 0.247595 Cl\n0.752405 0.247596 0.752404 Cl\n0.752405 0.247596 0.247595 Cl\n0.752405 0.752404 0.247595 Cl\n0.247596 0.247596 0.752404 Cl\n",
"nsites": 9,
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"elements": [
"K",
"Sn",
"Cl"
],
"chemical_system": "Cl-K-Sn",
"density": 2.768250327377226,
"density_atomic": 0.036627960875710415,
"volume": 245.71392413953052,
"volume_molar": 16.44137597622461,
"formula_full": "K2 Sn1 Cl6",
"formula_reduced": "K2SnCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0008588888888888,
"spacegroup": 225
},
{
"id": "jvasp-44330",
"created_at": "2022-09-04T14:36:19.461006Z",
"updated_at": "2022-09-04T14:36:19.461033Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n3.963512 3.589931 0.000000\n-3.963512 3.589931 0.000000\n0.000000 0.000000 6.349226\nLi Fe O F\n8 2 6 2\ndirect\n0.168469 0.841555 0.498027 Li\n0.158445 0.831531 0.998028 Li\n0.580143 0.885005 0.238155 Li\n0.114995 0.419856 0.738155 Li\n0.419856 0.114995 0.738155 Li\n0.885005 0.580143 0.238155 Li\n0.831531 0.158445 0.998028 Li\n0.841555 0.168469 0.498027 Li\n0.645392 0.645392 0.777189 Fe\n0.354607 0.354607 0.277189 Fe\n0.261746 0.678329 0.250068 O\n0.321670 0.738254 0.750068 O\n0.798864 0.798864 0.011695 O\n0.201136 0.201136 0.511695 O\n0.738254 0.321670 0.750068 O\n0.678329 0.261746 0.250068 O\n0.204170 0.204170 0.988619 F\n0.795829 0.795829 0.488619 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.7682363210024548,
"density_atomic": 0.099622043205655,
"volume": 180.6829033092772,
"volume_molar": 6.044988203632984,
"formula_full": "Li8 Fe2 O6 F2",
"formula_reduced": "Li4FeO3F",
"formula_anonymous": "ABC3D4",
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"spacegroup": 36
},
{
"id": "jvasp-65229",
"created_at": "2022-09-04T14:35:57.019354Z",
"updated_at": "2022-09-04T14:35:57.019378Z",
"structure_string": "Mg4 Be1 Nb1\n1.0\n0.000000 3.908989 3.908989\n3.908989 -0.000000 3.908989\n3.908989 3.908989 0.000000\nMg Be Nb\n4 1 1\ndirect\n0.126121 0.624626 0.624626 Mg\n0.624626 0.624626 0.624626 Mg\n0.624626 0.126121 0.624626 Mg\n0.624626 0.624626 0.126121 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Nb\n",
"nsites": 6,
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"density": 2.7680958457963714,
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"volume": 119.46022836229194,
"volume_molar": 11.990105173657772,
"formula_full": "Mg4 Be1 Nb1",
"formula_reduced": "Mg4BeNb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-103902",
"created_at": "2022-09-04T14:37:03.409377Z",
"updated_at": "2022-09-04T14:37:03.409407Z",
"structure_string": "Zn1 H2 C3 O4\n1.0\n3.954138 0.000150 1.386610\n1.890044 4.363592 0.941447\n0.160119 -0.062938 5.874348\nZn H C O\n1 2 3 4\ndirect\n0.475798 0.072345 0.397024 Zn\n0.759124 0.368361 0.937330 H\n0.595432 0.776372 0.856650 H\n0.453138 0.511552 0.681314 C\n0.531604 0.572364 0.896987 C\n0.176656 0.633153 0.112673 C\n0.323162 0.729255 0.536309 O\n0.507167 0.235073 0.666190 O\n0.119425 0.415420 0.257648 O\n0.939062 0.909632 0.127825 O\n",
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"volume": 100.45632910566916,
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"formula_full": "Zn1 H2 C3 O4",
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"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.6563694399999993,
"spacegroup": 5
}
]
}