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=293",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=291",
"results": [
{
"id": "jvasp-116824",
"created_at": "2022-09-04T14:38:45.914656Z",
"updated_at": "2022-09-04T14:38:45.914685Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.172449 -0.000290 -0.002530\n-0.000380 8.960217 0.006643\n-0.002614 0.000660 9.565736\nLi Mn P O\n4 4 4 16\ndirect\n0.499898 0.499943 0.239346 Li\n0.999883 -0.000057 0.239410 Li\n-0.000112 0.999895 0.739397 Li\n0.499878 0.499897 0.739346 Li\n0.499817 0.833366 0.122621 Mn\n0.499873 0.166679 0.622620 Mn\n0.999869 0.333363 0.122628 Mn\n-0.000170 0.666679 0.622626 Mn\n0.000050 0.666647 0.259223 P\n0.500117 0.166650 0.259219 P\n0.500018 0.833338 0.759222 P\n0.000083 0.333340 0.759227 P\n0.148674 0.527781 0.203165 O\n0.648676 0.027776 0.203127 O\n0.782614 0.838242 0.702999 O\n0.282603 0.338254 0.702898 O\n0.717007 0.661746 0.203454 O\n0.217003 0.161754 0.203557 O\n0.350962 0.972185 0.703097 O\n0.500785 0.833601 0.918475 O\n0.365760 0.689415 0.703611 O\n0.865753 0.189413 0.703679 O\n0.000784 0.666558 0.418478 O\n0.501105 0.166578 0.418473 O\n0.633802 0.310555 0.203020 O\n0.001107 0.333606 0.918480 O\n0.850964 0.472182 0.703148 O\n0.133806 0.810560 0.203093 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.3499665711347446,
"density_atomic": 0.06315750672098026,
"volume": 443.33605700585224,
"volume_molar": 9.535114783116525,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.553582391625616,
"spacegroup": 173
},
{
"id": "jvasp-22520",
"created_at": "2022-09-04T14:36:52.188180Z",
"updated_at": "2022-09-04T14:36:52.188200Z",
"structure_string": "Be3 F6\n1.0\n4.711647 -0.000000 -0.000000\n-2.355824 4.080406 0.000000\n0.000000 -0.000000 5.183328\nBe F\n3 6\ndirect\n0.460435 0.000000 0.333333 Be\n0.000001 0.460435 0.666667 Be\n0.539566 0.539566 0.000000 Be\n0.411369 0.282099 0.224950 F\n0.717902 0.129269 0.558283 F\n0.870732 0.588633 0.891617 F\n0.129270 0.717902 0.441718 F\n0.588633 0.870732 0.108384 F\n0.282099 0.411368 0.775051 F\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Be",
"F"
],
"chemical_system": "Be-F",
"density": 2.349992321009295,
"density_atomic": 0.09031454427294826,
"volume": 99.6517235673607,
"volume_molar": 6.6679634033250625,
"formula_full": "Be3 F6",
"formula_reduced": "BeF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 152
},
{
"id": "jvasp-24909",
"created_at": "2022-09-04T14:37:45.855365Z",
"updated_at": "2022-09-04T14:37:45.855385Z",
"structure_string": "Na8 Ti4 S8 O4\n1.0\n0.000000 5.771820 -0.002794\n13.594741 0.000000 0.000000\n0.000000 -2.724483 -6.263028\nNa Ti S O\n8 4 8 4\ndirect\n0.454721 0.360835 0.393526 Na\n0.350239 0.942836 0.213691 Na\n0.954721 0.139165 0.393525 Na\n0.149761 0.442836 0.786309 Na\n0.850239 0.557164 0.213691 Na\n0.045279 0.860834 0.606474 Na\n0.649761 0.057164 0.786308 Na\n0.545279 0.639165 0.606474 Na\n0.340915 0.182973 0.021076 Ti\n0.659085 0.817027 0.978924 Ti\n0.840915 0.317027 0.021075 Ti\n0.159086 0.682973 0.978924 Ti\n0.352706 0.557094 0.192711 S\n0.943816 0.356392 0.365060 S\n0.556184 0.856392 0.634939 S\n0.852706 0.942906 0.192711 S\n0.056184 0.643608 0.634940 S\n0.443816 0.143608 0.365060 S\n0.647294 0.442906 0.807288 S\n0.147294 0.057094 0.807289 S\n0.361299 0.794072 0.019275 O\n0.861298 0.705928 0.019275 O\n0.638702 0.205928 0.980725 O\n0.138702 0.294072 0.980725 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Ti",
"S",
"O"
],
"chemical_system": "Na-O-S-Ti",
"density": 2.3509249413408266,
"density_atomic": 0.04882606538015886,
"volume": 491.54073368673954,
"volume_molar": 12.333864531396745,
"formula_full": "Na8 Ti4 S8 O4",
"formula_reduced": "Na2TiS2O",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.2821416388888889,
"spacegroup": 14
},
{
"id": "jvasp-112114",
"created_at": "2022-09-04T14:38:44.900566Z",
"updated_at": "2022-09-04T14:38:44.900595Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.923157 -0.079124 -0.566920\n-1.117224 4.318933 -0.110185\n-0.102407 0.031104 11.937805\nCd H C O\n1 12 8 4\ndirect\n0.195883 0.654999 0.180508 Cd\n0.685705 0.803006 0.583438 H\n0.773121 0.026510 0.900337 H\n0.955094 0.420264 0.953679 H\n0.063915 0.944573 0.774283 H\n0.439330 0.943197 0.713101 H\n0.952514 0.366657 0.647929 H\n0.043221 0.806223 0.512746 H\n0.348644 0.503688 0.848258 H\n0.706150 0.506854 0.777569 H\n0.436754 0.889694 0.407342 H\n0.618742 0.283423 0.460708 H\n0.327944 0.365305 0.586753 H\n0.511604 0.173827 0.024979 C\n0.708088 0.239823 0.924953 C\n0.505686 0.354682 0.820742 C\n0.276327 0.094171 0.734880 C\n0.886171 0.955208 0.540274 C\n0.683768 0.070121 0.436074 C\n0.880216 0.136167 0.336040 C\n0.115520 0.215691 0.626147 C\n0.280611 0.913828 0.023328 O\n0.111199 0.396174 0.337694 O\n0.805436 0.925326 0.254109 O\n0.586342 0.384709 0.106892 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.3511203473869267,
"density_atomic": 0.12437896229120225,
"volume": 200.99862178837566,
"volume_molar": 4.841767971902405,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.42235015,
"spacegroup": 2
},
{
"id": "jvasp-4062",
"created_at": "2022-09-04T14:36:19.190633Z",
"updated_at": "2022-09-04T14:36:19.190659Z",
"structure_string": "Ca3 P1 Cl3\n1.0\n5.666117 0.000000 0.000000\n0.000000 5.666117 0.000000\n0.000000 0.000000 5.666117\nCa P Cl\n3 1 3\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"P",
"Cl"
],
"chemical_system": "Ca-Cl-P",
"density": 2.351160633711698,
"density_atomic": 0.03848056374344213,
"volume": 181.91001687684323,
"volume_molar": 15.649824675518936,
"formula_full": "Ca3 P1 Cl3",
"formula_reduced": "Ca3PCl3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0116612803571428,
"spacegroup": 221
},
{
"id": "jvasp-3270",
"created_at": "2022-09-04T14:36:11.047908Z",
"updated_at": "2022-09-04T14:36:11.047930Z",
"structure_string": "K6 Sb2\n1.0\n3.018283 -5.227819 0.000000\n3.018283 5.227819 0.000000\n0.000000 0.000000 10.698348\nK Sb\n6 2\ndirect\n0.333332 0.666667 0.917686 K\n0.666667 0.333332 0.417686 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.333332 0.666667 0.582314 K\n0.666667 0.333332 0.082314 K\n0.666667 0.333332 0.750000 Sb\n0.333332 0.666667 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Sb"
],
"chemical_system": "K-Sb",
"density": 2.3515245997695198,
"density_atomic": 0.023695330478996284,
"volume": 337.61926245727017,
"volume_molar": 25.414884022563307,
"formula_full": "K6 Sb2",
"formula_reduced": "K3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-90429",
"created_at": "2022-09-04T14:35:48.329603Z",
"updated_at": "2022-09-04T14:35:48.329634Z",
"structure_string": "K6 Sb2\n1.0\n-3.018234 -5.227727 0.000000\n-3.018234 5.227727 -0.000000\n0.000000 0.000000 -10.698408\nK Sb\n6 2\ndirect\n0.000000 -0.000000 0.750000 K\n-0.000000 0.000000 0.250000 K\n0.666665 0.333334 0.082310 K\n0.333334 0.666665 0.917690 K\n0.333334 0.666665 0.582310 K\n0.666665 0.333334 0.417690 K\n0.666665 0.333334 0.750000 Sb\n0.333334 0.666665 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Sb"
],
"chemical_system": "K-Sb",
"density": 2.351590971350482,
"density_atomic": 0.023695999277675007,
"volume": 337.609733451382,
"volume_molar": 25.414166709878785,
"formula_full": "K6 Sb2",
"formula_reduced": "K3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 5.000000000001531e-06,
"spacegroup": 194
},
{
"id": "jvasp-33028",
"created_at": "2022-09-04T14:37:32.497883Z",
"updated_at": "2022-09-04T14:37:32.497905Z",
"structure_string": "Zn1 H8 N4 Cl2\n1.0\n4.320118 3.963358 -1.230077\n-4.320118 3.963358 1.230077\n-0.021841 0.000000 4.138302\nZn H N Cl\n1 8 4 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.003350 0.323952 0.452048 H\n0.676048 0.996651 0.452048 H\n0.996651 0.676048 0.547952 H\n0.323952 0.003350 0.547952 H\n0.255375 0.364030 0.709244 H\n0.635970 0.744625 0.709244 H\n0.744625 0.635970 0.290756 H\n0.364030 0.255375 0.290756 H\n0.139975 0.242898 0.606578 N\n0.757102 0.860025 0.606578 N\n0.860025 0.757102 0.393421 N\n0.242898 0.139975 0.393421 N\n0.708730 0.291271 0.978195 Cl\n0.291271 0.708730 0.021805 Cl\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zn",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Zn",
"density": 2.3517999798314695,
"density_atomic": 0.10600669575142507,
"volume": 141.50049573447205,
"volume_molar": 5.6809060194851355,
"formula_full": "Zn1 H8 N4 Cl2",
"formula_reduced": "ZnH8(N2Cl)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.272694102333333,
"spacegroup": 12
},
{
"id": "jvasp-15153",
"created_at": "2022-09-04T14:36:30.769776Z",
"updated_at": "2022-09-04T14:36:30.769798Z",
"structure_string": "Ca1 Al1 Si1\n1.0\n2.107818 -3.650850 0.000000\n2.107818 3.650850 0.000000\n0.000000 -0.000000 4.364885\nCa Al Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.499999 Al\n0.333333 0.666667 0.499999 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Si"
],
"chemical_system": "Al-Ca-Si",
"density": 2.3518268474887702,
"density_atomic": 0.044657186119273495,
"volume": 67.17843779917958,
"volume_molar": 13.485266948785467,
"formula_full": "Ca1 Al1 Si1",
"formula_reduced": "CaAlSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.14280394,
"spacegroup": 187
},
{
"id": "jvasp-21603",
"created_at": "2022-09-04T14:38:15.906283Z",
"updated_at": "2022-09-04T14:38:15.906303Z",
"structure_string": "Na1 P1 F6\n1.0\n4.775798 -0.000000 2.757308\n1.591933 4.502665 2.757308\n0.000000 -0.000000 5.514616\nNa P F\n1 1 6\ndirect\n0.500000 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 P\n0.209378 0.790623 0.790623 F\n0.209378 0.790623 0.209379 F\n0.790622 0.209378 0.209379 F\n0.790621 0.790623 0.209379 F\n0.209378 0.209378 0.790622 F\n0.790622 0.209378 0.790623 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"P",
"F"
],
"chemical_system": "F-Na-P",
"density": 2.3518437147647617,
"density_atomic": 0.06746198638496788,
"volume": 118.58530157040542,
"volume_molar": 8.926717226550382,
"formula_full": "Na1 P1 F6",
"formula_reduced": "NaPF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-34733",
"created_at": "2022-09-04T14:37:10.729829Z",
"updated_at": "2022-09-04T14:37:10.729865Z",
"structure_string": "Si4 O8\n1.0\n4.592410 -0.000023 1.368214\n2.167217 4.467757 1.117036\n0.028292 0.165200 8.296093\nSi O\n4 8\ndirect\n0.701114 0.061882 0.313697 Si\n0.298886 0.938119 0.686302 Si\n0.923319 0.561864 0.813693 Si\n0.076681 0.438137 0.186307 Si\n0.854595 0.283815 0.320900 O\n0.459297 0.216220 0.179103 O\n0.004309 0.249992 0.749994 O\n0.995690 0.750009 0.250005 O\n0.145405 0.716186 0.679100 O\n0.540703 0.783781 0.820896 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.351911573932533,
"density_atomic": 0.0707183535042739,
"volume": 169.68720855859257,
"volume_molar": 8.515668792594344,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3913818666666669,
"spacegroup": 15
},
{
"id": "jvasp-92506",
"created_at": "2022-09-04T14:35:43.705978Z",
"updated_at": "2022-09-04T14:35:43.706010Z",
"structure_string": "K2 O4\n1.0\n3.874259 0.000000 0.000000\n0.000000 3.875646 0.000000\n0.000000 0.000000 6.684520\nK O\n2 4\ndirect\n0.500000 0.500001 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500089 0.898586 O\n0.500000 0.499912 0.101414 O\n0.000000 -0.000089 0.398586 O\n0.000000 0.000089 0.601414 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.352491159958247,
"density_atomic": 0.059778948396573404,
"volume": 100.36978168628886,
"volume_molar": 10.074015889421695,
"formula_full": "K2 O4",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9394600833333332,
"spacegroup": 139
}
]
}