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=density&page=270",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=268",
"results": [
{
"id": "jvasp-100076",
"created_at": "2022-09-04T14:36:35.280886Z",
"updated_at": "2022-09-04T14:36:35.280906Z",
"structure_string": "K3 Ga1 Cl6\n1.0\n6.433627 0.000000 3.714456\n2.144542 6.065682 3.714456\n-0.000000 -0.000000 7.428913\nK Ga Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.774071 0.225929 0.225930 Cl\n0.225929 0.225929 0.774071 Cl\n0.225929 0.774071 0.774071 Cl\n0.225929 0.774071 0.225930 Cl\n0.774071 0.225929 0.774071 Cl\n0.774071 0.774071 0.225930 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-K",
"density": 2.2896097311370616,
"density_atomic": 0.03449365466333671,
"volume": 289.90839322772587,
"volume_molar": 17.458691515227958,
"formula_full": "K3 Ga1 Cl6",
"formula_reduced": "K3GaCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-113077",
"created_at": "2022-09-04T14:38:42.151358Z",
"updated_at": "2022-09-04T14:38:42.151375Z",
"structure_string": "Na4 Al3 Si3 Cl1 O12\n1.0\n6.300551 -0.019019 4.411558\n0.002271 6.300580 4.411558\n-0.013340 -0.013295 8.834682\nNa Al Si Cl O\n4 3 3 1 12\ndirect\n0.644945 -0.001002 0.347825 Na\n0.348140 -0.003875 0.003985 Na\n0.003875 0.651860 -0.003984 Na\n0.001002 0.355055 0.652175 Na\n0.748674 0.251326 0.500000 Al\n0.249000 0.252149 0.258594 Al\n0.747851 0.751000 0.741406 Al\n0.491086 0.488272 0.758695 Si\n0.253626 0.746374 0.500000 Si\n0.511728 0.508914 0.241305 Si\n0.999646 0.000353 0.000000 Cl\n0.997689 0.290755 0.435137 O\n0.710271 0.448358 0.280211 O\n0.289403 0.423055 0.997061 O\n0.012004 0.698174 0.698380 O\n0.551642 0.289729 0.719789 O\n0.709245 0.002311 0.564863 O\n0.301826 0.987996 0.301621 O\n0.414976 0.696342 0.588044 O\n0.436058 0.303296 0.284260 O\n0.696704 0.563942 0.715740 O\n0.576945 0.710597 0.002939 O\n0.303658 0.585024 0.411957 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Na-O-Si",
"density": 2.289656876110772,
"density_atomic": 0.06544257246998021,
"volume": 351.4531769140119,
"volume_molar": 9.202176095327662,
"formula_full": "Na4 Al3 Si3 Cl1 O12",
"formula_reduced": "Na4Al3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.126910707282609,
"spacegroup": 5
},
{
"id": "jvasp-117680",
"created_at": "2022-09-04T14:38:47.140663Z",
"updated_at": "2022-09-04T14:38:47.140700Z",
"structure_string": "Be2 Cl2\n1.0\n2.927777 -0.000000 0.000000\n0.000000 2.927777 -0.000000\n-0.000000 0.000000 7.523695\nBe Cl\n2 2\ndirect\n0.000000 0.000000 0.865985 Be\n0.500001 0.500001 0.134013 Be\n0.000000 0.000000 0.299492 Cl\n0.500001 0.500001 0.700510 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Cl"
],
"chemical_system": "Be-Cl",
"density": 2.289770713436315,
"density_atomic": 0.062023007346307085,
"volume": 64.49219686600966,
"volume_molar": 9.709527186218526,
"formula_full": "Be2 Cl2",
"formula_reduced": "BeCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.6346100837499999,
"spacegroup": 129
},
{
"id": "jvasp-52403",
"created_at": "2022-09-04T14:36:34.560627Z",
"updated_at": "2022-09-04T14:36:34.560658Z",
"structure_string": "Na2 Cu1 H4 C4 O10\n1.0\n3.528449 0.026786 -0.028603\n-1.708849 7.302858 0.023614\n-1.433370 -2.696973 9.040515\nNa Cu H C O\n2 1 4 4 10\ndirect\n0.689757 0.301526 0.576027 Na\n0.310243 0.698475 0.423972 Na\n0.000000 0.000000 0.000000 Cu\n0.468954 0.531949 0.801847 H\n0.531046 0.468052 0.198153 H\n0.346147 0.325918 0.827011 H\n0.653853 0.674083 0.172988 H\n0.738533 0.026002 0.257036 C\n0.261467 0.973999 0.742963 C\n0.040232 0.219145 0.278447 C\n0.959768 0.780856 0.721553 C\n0.293823 0.400912 0.757843 O\n0.188560 0.234572 0.164909 O\n0.811440 0.765429 0.835091 O\n0.672271 0.904502 0.127547 O\n0.327729 0.095499 0.872452 O\n0.125737 0.344273 0.398850 O\n0.874263 0.655728 0.601149 O\n0.576131 -0.001671 0.358689 O\n0.423870 0.001672 0.641310 O\n0.706178 0.599089 0.242157 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Na",
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-Na-O",
"density": 2.290354433280673,
"density_atomic": 0.09006681836970575,
"volume": 233.16022904017018,
"volume_molar": 6.686303423398784,
"formula_full": "Na2 Cu1 H4 C4 O10",
"formula_reduced": "Na2CuH4(C2O5)2",
"formula_anonymous": "AB2C4D4E10",
"energy_above_hull": 3.36219445,
"spacegroup": 2
},
{
"id": "jvasp-62756",
"created_at": "2022-09-04T14:35:59.888124Z",
"updated_at": "2022-09-04T14:35:59.888146Z",
"structure_string": "B2 N2\n1.0\n1.256141 -2.175699 0.000000\n1.256139 2.175699 -0.000000\n-0.000000 -0.000000 6.583444\nB N\n2 2\ndirect\n0.666647 0.333293 0.250000 B\n0.333353 0.666708 0.749999 B\n0.666688 0.333375 0.749999 N\n0.333312 0.666625 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.2904489930007736,
"density_atomic": 0.11115781272412527,
"volume": 35.98487503462593,
"volume_molar": 5.41764956723818,
"formula_full": "B2 N2",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.5131379166666665,
"spacegroup": 194
},
{
"id": "jvasp-31882",
"created_at": "2022-09-04T14:36:54.215205Z",
"updated_at": "2022-09-04T14:36:54.215233Z",
"structure_string": "Fe2 N6 Cl2 O6\n1.0\n7.125111 -0.000000 -0.000000\n-3.562555 6.170527 -0.000000\n0.000000 0.000000 5.978822\nFe N Cl O\n2 6 2 6\ndirect\n0.333333 0.666667 0.788708 Fe\n0.666667 0.333333 0.288708 Fe\n0.793199 0.206801 0.183933 N\n0.586398 0.793200 0.683933 N\n0.206800 0.793200 0.683933 N\n0.413602 0.206801 0.183933 N\n0.793199 0.586398 0.183933 N\n0.206800 0.413602 0.683933 N\n0.333333 0.666667 0.164673 Cl\n0.666667 0.333333 0.664673 Cl\n0.864829 0.135171 0.056662 O\n0.135171 0.270341 0.556662 O\n0.135171 0.864829 0.556662 O\n0.270341 0.135171 0.056662 O\n0.729658 0.864829 0.556662 O\n0.864828 0.729659 0.056662 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Fe",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-N-O",
"density": 2.290796051605545,
"density_atomic": 0.06086820117105078,
"volume": 262.86303344232357,
"volume_molar": 9.893738674939124,
"formula_full": "Fe2 N6 Cl2 O6",
"formula_reduced": "FeN3ClO3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 3.7773637271875007,
"spacegroup": 186
},
{
"id": "jvasp-59241",
"created_at": "2022-09-04T14:38:06.483939Z",
"updated_at": "2022-09-04T14:38:06.483962Z",
"structure_string": "Li4 P20\n1.0\n6.122341 0.000000 0.000000\n0.000000 8.060401 0.000000\n0.000000 0.000000 9.507010\nLi P\n4 20\ndirect\n0.236152 0.626653 0.635729 Li\n0.236152 0.873347 0.135729 Li\n0.736152 0.126653 0.864271 Li\n0.736152 0.373347 0.364271 Li\n0.567192 0.644985 0.446253 P\n0.780371 0.059582 0.393044 P\n0.792788 0.750298 0.606299 P\n0.567192 0.855014 0.946253 P\n0.780371 0.440418 0.893044 P\n0.792788 0.749702 0.106299 P\n0.643191 0.489313 0.111562 P\n0.643191 0.010687 0.611562 P\n0.598306 0.847572 0.290089 P\n0.280371 0.940417 0.606956 P\n0.098306 0.152428 0.709911 P\n0.292788 0.250298 0.893701 P\n0.067192 0.355014 0.553747 P\n0.292788 0.249702 0.393701 P\n0.067192 0.144985 0.053747 P\n0.280371 0.559582 0.106956 P\n0.143191 0.989313 0.388438 P\n0.143191 0.510687 0.888438 P\n0.598306 0.652428 0.790089 P\n0.098306 0.347572 0.209911 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Li",
"P"
],
"chemical_system": "Li-P",
"density": 2.290845617718777,
"density_atomic": 0.051155593498685245,
"volume": 469.15690657790583,
"volume_molar": 11.772203874742996,
"formula_full": "Li4 P20",
"formula_reduced": "LiP5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.8552595833333334,
"spacegroup": 33
},
{
"id": "jvasp-92292",
"created_at": "2022-09-04T14:35:43.622836Z",
"updated_at": "2022-09-04T14:35:43.622861Z",
"structure_string": "Li2 Ca1 N2\n1.0\n-1.722544 -2.984170 -0.000058\n-1.723096 2.984489 0.000000\n-0.000086 -0.000049 -5.778410\nLi Ca N\n2 1 2\ndirect\n0.333435 0.666718 0.885631 Li\n0.666566 0.333284 0.114370 Li\n0.000001 0.000001 0.500000 Ca\n0.333297 0.666649 0.243293 N\n0.666704 0.333352 0.756707 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ca",
"N"
],
"chemical_system": "Ca-Li-N",
"density": 2.2908519554465347,
"density_atomic": 0.08414822943044835,
"volume": 59.41895668919198,
"volume_molar": 7.156586419893155,
"formula_full": "Li2 Ca1 N2",
"formula_reduced": "Li2CaN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.326999384,
"spacegroup": 164
},
{
"id": "jvasp-71102",
"created_at": "2022-09-04T14:35:48.948383Z",
"updated_at": "2022-09-04T14:35:48.948413Z",
"structure_string": "Li1 Be1 Si2\n1.0\n2.632767 -0.000000 -0.000000\n-0.000000 2.632767 0.000000\n-0.000000 -0.000000 7.542197\nLi Be Si\n1 1 2\ndirect\n0.500001 0.500001 0.732223 Li\n0.000000 0.000000 0.488958 Be\n0.000000 0.000000 0.991455 Si\n0.500001 0.500001 0.287365 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Si"
],
"chemical_system": "Be-Li-Si",
"density": 2.2909060269016472,
"density_atomic": 0.076513358954708,
"volume": 52.278452477400656,
"volume_molar": 7.870704988346937,
"formula_full": "Li1 Be1 Si2",
"formula_reduced": "LiBeSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.277703325,
"spacegroup": 99
},
{
"id": "jvasp-79548",
"created_at": "2022-09-04T14:37:51.517317Z",
"updated_at": "2022-09-04T14:37:51.517337Z",
"structure_string": "S4\n1.0\n0.000000 -0.000000 3.012958\n5.554784 -0.000000 0.000000\n0.000000 5.554784 0.000000\nS\n4\ndirect\n0.750001 0.379407 0.879347 S\n0.750001 0.620593 0.120652 S\n0.250000 0.879347 0.620593 S\n0.250000 0.120652 0.379407 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.2909357188024253,
"density_atomic": 0.043026157416209895,
"volume": 92.96670305243246,
"volume_molar": 13.99646429437175,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy_above_hull": 0.2421500000000001,
"spacegroup": 136
},
{
"id": "jvasp-62681",
"created_at": "2022-09-04T14:36:08.068002Z",
"updated_at": "2022-09-04T14:36:08.068031Z",
"structure_string": "B2 N2\n1.0\n1.256145 -2.175706 0.000000\n1.256143 2.175706 -0.000000\n-0.000000 -0.000000 6.580961\nB N\n2 2\ndirect\n0.666618 0.333235 0.250000 B\n0.333383 0.666766 0.750000 B\n0.666723 0.333444 0.750000 N\n0.333277 0.666557 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.291298512330201,
"density_atomic": 0.11119904075880956,
"volume": 35.971533321730625,
"volume_molar": 5.415640925412304,
"formula_full": "B2 N2",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.5131379166666665,
"spacegroup": 194
},
{
"id": "jvasp-20232",
"created_at": "2022-09-04T14:37:54.265258Z",
"updated_at": "2022-09-04T14:37:54.265288Z",
"structure_string": "Na2 O4\n1.0\n3.391674 0.000000 0.000000\n0.000000 4.185196 0.000000\n0.000000 0.000000 5.613075\nNa O\n2 4\ndirect\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.499999 0.385142 0.915127 O\n0.499999 0.614859 0.084872 O\n0.000000 0.114858 0.415128 O\n0.000000 0.885143 0.584871 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 2.2920324625820276,
"density_atomic": 0.07530442581972413,
"volume": 79.67659184287211,
"volume_molar": 7.997060855914061,
"formula_full": "Na2 O4",
"formula_reduced": "NaO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9976017500000002,
"spacegroup": 58
}
]
}