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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=363",
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"results": [
{
"id": "jvasp-11055",
"created_at": "2022-09-04T14:37:30.714001Z",
"updated_at": "2022-09-04T14:37:30.714020Z",
"structure_string": "Ca1 Mn2 Si4 O12\n1.0\n5.299833 -0.050897 0.987635\n1.181505 6.327213 0.589526\n0.026418 0.029683 6.463400\nCa Mn Si O\n1 2 4 12\ndirect\n0.250001 0.699137 0.300861 Ca\n0.750001 0.911265 0.088733 Mn\n0.249999 0.099621 0.900379 Mn\n0.251528 0.205591 0.386073 Si\n0.248472 0.613927 0.794407 Si\n0.759678 0.381145 0.205857 Si\n0.740324 0.794141 0.618856 Si\n0.655199 0.952843 0.811383 O\n0.844802 0.188617 0.047155 O\n0.684635 0.624011 0.109981 O\n0.815364 0.890018 0.375989 O\n0.291940 0.381414 0.909368 O\n0.505041 0.660374 0.621395 O\n-0.005040 0.378605 0.339625 O\n0.333337 0.037907 0.198517 O\n0.018516 0.640168 0.650589 O\n0.481485 0.349412 0.359831 O\n0.208061 0.090632 0.618585 O\n0.166667 0.801482 0.962094 O\n",
"nsites": 19,
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"elements": [
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],
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"density": 3.4778884991384587,
"density_atomic": 0.08759675981423676,
"volume": 216.90300006863959,
"volume_molar": 6.8748441983138795,
"formula_full": "Ca1 Mn2 Si4 O12",
"formula_reduced": "CaMn2(SiO3)4",
"formula_anonymous": "AB2C4D12",
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{
"id": "jvasp-42694",
"created_at": "2022-09-04T14:37:09.103385Z",
"updated_at": "2022-09-04T14:37:09.103405Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.708685 0.000000 0.000000\n0.000000 6.062744 0.000000\n0.000000 0.000000 10.043310\nLi Cr Si O\n4 4 4 16\ndirect\n0.022474 0.006534 0.216246 Li\n0.477527 0.006534 0.716246 Li\n0.522474 0.506534 0.283754 Li\n0.977527 0.506534 0.783754 Li\n-0.000000 0.256527 0.499999 Cr\n0.500000 0.256527 -0.000001 Cr\n0.500000 0.756527 0.000001 Cr\n0.000000 0.756527 0.500001 Cr\n0.921835 0.006528 0.907669 Si\n0.578166 0.006528 0.407669 Si\n0.421835 0.506528 0.592331 Si\n0.078166 0.506528 0.092331 Si\n0.778407 0.232443 0.848820 O\n0.770978 0.506527 0.582395 O\n0.729023 0.506527 0.082395 O\n0.721595 0.232443 0.348820 O\n0.721595 0.780609 0.348823 O\n0.750569 0.006529 0.558380 O\n0.249432 0.506529 0.441620 O\n0.221595 0.280610 0.151177 O\n0.278406 0.732442 0.651180 O\n0.270978 0.006527 0.917605 O\n0.229023 0.006527 0.417605 O\n0.221594 0.732442 0.151180 O\n0.778406 0.780609 0.848823 O\n0.250568 0.506529 0.941620 O\n0.278406 0.280610 0.651177 O\n0.749433 0.006529 0.058380 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
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"density": 3.4986330409112627,
"density_atomic": 0.09765900490838235,
"volume": 286.71191178189736,
"volume_molar": 6.166498179711744,
"formula_full": "Li4 Cr4 Si4 O16",
"formula_reduced": "LiCrSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.623872857142858,
"spacegroup": 62
},
{
"id": "jvasp-103977",
"created_at": "2022-09-04T14:37:06.135242Z",
"updated_at": "2022-09-04T14:37:06.135275Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.632300 -0.084253 0.319000\n-0.049314 4.134128 1.043154\n0.313904 0.962434 13.366276\nCd H C O\n1 12 8 4\ndirect\n0.050090 0.382931 0.182220 Cd\n0.259525 0.321149 0.539828 H\n0.519327 0.762403 0.908232 H\n0.958716 0.890899 0.922741 H\n0.406012 0.035603 0.731457 H\n0.885879 0.104968 0.702432 H\n0.340063 0.658658 0.656899 H\n0.740065 0.333406 0.504027 H\n0.381351 0.396809 0.845954 H\n0.862899 0.466923 0.821938 H\n0.283993 0.948599 0.466832 H\n0.753712 0.950477 0.426905 H\n0.817055 0.706639 0.618047 H\n0.511591 0.967104 0.028691 C\n0.674429 0.969883 0.919394 C\n0.639102 0.284302 0.828095 C\n0.631619 0.219755 0.722461 C\n0.515731 0.472533 0.528353 C\n0.496474 0.799464 0.441003 C\n0.396002 0.794775 0.334967 C\n0.577466 0.532141 0.632011 C\n0.581529 0.710729 0.106510 O\n0.178377 0.570936 0.328887 O\n0.514628 0.052898 0.254978 O\n0.287762 0.180768 0.038894 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.404281795709773,
"density_atomic": 0.12719130908733364,
"volume": 196.55431003414074,
"volume_molar": 4.7347108880411035,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.42290015,
"spacegroup": 1
},
{
"id": "jvasp-49834",
"created_at": "2022-09-04T14:37:09.102310Z",
"updated_at": "2022-09-04T14:37:09.102320Z",
"structure_string": "Li1 Nb1 Te3 O12\n1.0\n5.084914 0.002763 -0.000317\n0.010058 5.366163 0.040747\n0.000394 0.452721 7.391231\nLi Nb Te O\n1 1 3 12\ndirect\n0.001533 0.424765 0.213165 Li\n0.995294 0.004714 0.994251 Nb\n0.494432 0.510006 0.999316 Te\n0.001509 0.002766 0.504529 Te\n0.504051 0.508120 0.506464 Te\n0.305228 0.211612 0.066191 O\n0.188590 0.323227 0.435910 O\n0.810534 0.333811 0.955203 O\n0.361952 0.508206 0.750533 O\n0.637419 0.513813 0.256156 O\n0.818912 0.690011 0.574040 O\n0.128214 0.008680 0.746673 O\n0.674505 0.820963 0.947097 O\n0.885989 0.023730 0.260926 O\n0.688864 0.195788 0.576708 O\n0.186775 0.687662 0.072083 O\n0.316192 0.817711 0.433551 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
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"Te",
"O"
],
"chemical_system": "Li-Nb-O-Te",
"density": 5.557244868743555,
"density_atomic": 0.0843309813583523,
"volume": 201.58664972438729,
"volume_molar": 7.141077529276915,
"formula_full": "Li1 Nb1 Te3 O12",
"formula_reduced": "LiNb(TeO4)3",
"formula_anonymous": "ABC3D12",
"energy_above_hull": 2.7052814529411764,
"spacegroup": 1
},
{
"id": "jvasp-9996",
"created_at": "2022-09-04T14:37:06.080785Z",
"updated_at": "2022-09-04T14:37:06.080812Z",
"structure_string": "Rb1 Ca2 Ta3 O10\n1.0\n3.928305 -0.000000 0.000000\n0.000000 3.928305 0.000000\n0.000000 0.000000 15.163770\nRb Ca Ta O\n1 2 3 10\ndirect\n0.499999 0.499999 0.500000 Rb\n0.499999 0.499999 0.849872 Ca\n0.499999 0.499999 0.150128 Ca\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.281562 Ta\n0.000000 0.000000 0.718438 Ta\n0.000000 0.000000 0.599829 O\n0.000000 0.000000 0.400171 O\n0.499999 0.000000 0.746799 O\n0.000000 0.499999 0.746799 O\n0.499999 0.000000 0.253201 O\n0.000000 0.499999 0.253201 O\n0.000000 0.499999 0.000000 O\n0.499999 0.000000 0.000000 O\n0.000000 0.000000 0.129688 O\n0.000000 0.000000 0.870312 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-O-Rb-Ta",
"density": 6.162856419715467,
"density_atomic": 0.06837579590135279,
"volume": 234.0009324803113,
"volume_molar": 8.807415958548066,
"formula_full": "Rb1 Ca2 Ta3 O10",
"formula_reduced": "RbCa2Ta3O10",
"formula_anonymous": "AB2C3D10",
"energy_above_hull": 3.11608209,
"spacegroup": 123
},
{
"id": "jvasp-21353",
"created_at": "2022-09-04T14:37:09.067486Z",
"updated_at": "2022-09-04T14:37:09.067505Z",
"structure_string": "Mg2 Fe2 Si4 O12\n1.0\n4.896522 -0.148769 0.849474\n0.979578 6.425005 0.551901\n-0.250319 0.010258 6.517829\nMg Fe Si O\n2 2 4 12\ndirect\n0.750000 0.273908 0.726092 Mg\n0.250001 0.726093 0.273908 Mg\n0.249999 0.081508 0.918493 Fe\n0.749999 0.918494 0.081506 Fe\n0.285621 0.208848 0.396038 Si\n0.214378 0.603963 0.791152 Si\n0.785621 0.396038 0.208848 Si\n0.714378 0.791153 0.603961 Si\n0.650430 0.969797 0.772107 O\n0.849569 0.227891 0.030203 O\n0.629406 0.619009 0.146284 O\n0.870593 0.853717 0.380991 O\n0.370593 0.380991 0.853716 O\n-0.086558 0.584875 0.703620 O\n0.086557 0.415126 0.296380 O\n0.413443 0.703621 0.584875 O\n0.349568 0.030204 0.227892 O\n0.586558 0.296381 0.415124 O\n0.129407 0.146283 0.619008 O\n0.150431 0.772109 0.969796 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Mg-O-Si",
"density": 3.7206256456267996,
"density_atomic": 0.09644620403367783,
"volume": 207.36948851834796,
"volume_molar": 6.244041245933476,
"formula_full": "Mg2 Fe2 Si4 O12",
"formula_reduced": "MgFe(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.535343275,
"spacegroup": 15
},
{
"id": "jvasp-44593",
"created_at": "2022-09-04T14:37:06.999583Z",
"updated_at": "2022-09-04T14:37:06.999616Z",
"structure_string": "Li4 Mn3 Sn5 O16\n1.0\n-6.162951 0.045583 -0.018216\n3.040057 5.327994 -0.051160\n-0.030420 -0.223729 -9.866661\nLi Mn Sn O\n4 3 5 16\ndirect\n0.328816 0.668994 0.105439 Li\n0.012271 0.031799 0.015262 Li\n0.014924 0.013752 0.503391 Li\n0.670799 0.335434 0.594257 Li\n0.169964 0.336937 0.784579 Mn\n0.338638 0.170719 0.287406 Mn\n0.823134 0.160066 0.286661 Mn\n0.651189 0.320764 0.014616 Sn\n0.834747 0.658982 0.285136 Sn\n0.660328 0.829506 0.786863 Sn\n0.336335 0.655934 0.505031 Sn\n0.164965 0.826371 0.785165 Sn\n0.317067 0.161012 0.902170 O\n0.655231 0.319871 0.389271 O\n0.958740 0.462631 0.158178 O\n0.532905 0.509454 0.150667 O\n0.183681 0.320812 0.402087 O\n0.839179 0.676182 0.905446 O\n0.500222 0.527153 0.653282 O\n0.482164 0.969045 0.657159 O\n0.683046 0.846639 0.403032 O\n0.011353 0.011341 0.197930 O\n-0.001648 0.000086 0.686991 O\n0.331422 0.666067 0.898719 O\n0.484311 0.033935 0.160324 O\n0.153187 0.819356 0.408686 O\n0.038290 0.514017 0.656475 O\n0.824430 0.153118 0.907944 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.317503433700697,
"density_atomic": 0.08603983970563085,
"volume": 325.43063882727745,
"volume_molar": 6.999246837980666,
"formula_full": "Li4 Mn3 Sn5 O16",
"formula_reduced": "Li4Mn3Sn5O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 2.506746650862069,
"spacegroup": 1
},
{
"id": "jvasp-9507",
"created_at": "2022-09-04T14:37:09.201854Z",
"updated_at": "2022-09-04T14:37:09.201875Z",
"structure_string": "Mg2 Cr2 Si2 O10\n1.0\n5.079025 -0.263574 0.108584\n-1.522002 5.188497 -0.050330\n-1.461460 -2.239676 6.222057\nMg Cr Si O\n2 2 2 10\ndirect\n0.361443 0.214949 0.786301 Mg\n0.647027 0.774962 0.242985 Mg\n0.004292 0.494912 0.514526 Cr\n0.004237 0.494900 0.014552 Cr\n0.698160 0.818961 0.756996 Si\n0.310371 0.170855 0.272098 Si\n0.697178 0.631888 0.917544 O\n-0.009585 0.854613 0.674254 O\n0.311272 0.357901 0.111530 O\n0.018126 0.135274 0.354844 O\n0.595615 0.290922 0.484534 O\n0.308079 0.868117 0.135190 O\n0.412957 0.698867 0.544501 O\n0.700391 0.121680 0.893904 O\n0.903966 0.554641 0.266705 O\n0.104455 0.435307 0.762407 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cr-Mg-O-Si",
"density": 3.7782652870039035,
"density_atomic": 0.09872134135496798,
"volume": 162.07235214186875,
"volume_molar": 6.100140736891381,
"formula_full": "Mg2 Cr2 Si2 O10",
"formula_reduced": "MgCrSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-29377",
"created_at": "2022-09-04T14:37:07.514714Z",
"updated_at": "2022-09-04T14:37:07.514739Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n4.923976 0.000018 0.000000\n0.000019 5.287058 0.000000\n0.000000 0.000000 5.287051\nTi Zn Bi O\n1 1 2 6\ndirect\n0.585007 0.500001 0.500000 Ti\n0.555331 -0.000001 0.000000 Zn\n0.006674 -0.000002 0.500000 Bi\n0.006675 0.499991 0.000000 Bi\n0.726046 0.742922 0.742921 O\n0.726046 0.742922 0.257079 O\n0.168833 0.000009 0.000000 O\n0.220298 0.500002 0.500000 O\n0.726047 0.257079 0.257079 O\n0.726047 0.257079 0.742920 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.567189910976558,
"density_atomic": 0.07265349285927619,
"volume": 137.63963171556216,
"volume_molar": 8.288852363456757,
"formula_full": "Ti1 Zn1 Bi2 O6",
"formula_reduced": "TiZn(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0229518333333334,
"spacegroup": 99
},
{
"id": "jvasp-34319",
"created_at": "2022-09-04T14:37:09.065369Z",
"updated_at": "2022-09-04T14:37:09.065389Z",
"structure_string": "Tl1 V3 Cr2 S8\n1.0\n3.298740 -0.000005 -0.630286\n-0.375770 8.469385 -1.966629\n-0.027421 0.082718 8.804060\nTl V Cr S\n1 3 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.146312 0.485535 0.292572 V\n0.853688 0.514464 0.707428 V\n0.500000 0.499999 -0.000000 V\n0.204541 0.831557 0.409080 Cr\n0.795459 0.168442 0.590920 Cr\n0.071369 0.672043 0.142738 S\n0.330621 0.006585 0.661236 S\n0.262124 0.350521 0.524251 S\n0.413643 0.684035 0.827332 S\n0.586358 0.315964 0.172667 S\n0.928631 0.327956 0.857261 S\n0.737877 0.649478 0.475748 S\n0.669380 0.993414 0.338764 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cr-S-Tl-V",
"density": 4.837246240313376,
"density_atomic": 0.05682272872989575,
"volume": 246.38028325862987,
"volume_molar": 10.598119616229575,
"formula_full": "Tl1 V3 Cr2 S8",
"formula_reduced": "TlV3(CrS4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.2160728571428576,
"spacegroup": 12
},
{
"id": "jvasp-57600",
"created_at": "2022-09-04T14:37:29.329433Z",
"updated_at": "2022-09-04T14:37:29.329463Z",
"structure_string": "Rb2 K1 Co1 F6\n1.0\n5.327244 0.000000 3.075685\n1.775748 5.022573 3.075685\n0.000000 0.000000 6.151371\nRb K Co F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Co\n0.214350 0.214350 0.785649 F\n0.785649 0.214350 0.785649 F\n0.214351 0.785649 0.214350 F\n0.785649 0.785649 0.214349 F\n0.214351 0.785649 0.785649 F\n0.785649 0.214350 0.214350 F\n",
"nsites": 10,
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"elements": [
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"Co",
"F"
],
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"density": 3.863660210862743,
"density_atomic": 0.06075740724208898,
"volume": 164.58898517763967,
"volume_molar": 9.911780362852996,
"formula_full": "Rb2 K1 Co1 F6",
"formula_reduced": "KRb2CoF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0016650000000003,
"spacegroup": 225
},
{
"id": "jvasp-44736",
"created_at": "2022-09-04T14:37:08.369329Z",
"updated_at": "2022-09-04T14:37:08.369357Z",
"structure_string": "Li2 Ni1 Sn1 O4\n1.0\n5.301577 -0.200329 -0.000000\n2.140106 4.854564 0.000000\n-3.720841 -2.327118 2.981059\nLi Ni Sn O\n2 1 1 4\ndirect\n0.250001 0.749999 0.500000 Li\n0.500001 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.750001 0.250000 0.500000 Sn\n0.517187 0.017187 0.500000 O\n0.240474 0.240474 -0.000000 O\n0.982815 0.482813 0.500000 O\n0.759528 0.759526 -0.000000 O\n",
"nsites": 8,
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"elements": [
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"O"
],
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"density": 5.434632961456676,
"density_atomic": 0.1025626451714776,
"volume": 78.00110836284065,
"volume_molar": 5.871670674962995,
"formula_full": "Li2 Ni1 Sn1 O4",
"formula_reduced": "Li2NiSnO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6072735125,
"spacegroup": 119
}
]
}