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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3515",
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"results": [
{
"id": "jvasp-100051",
"created_at": "2022-09-04T14:36:16.898232Z",
"updated_at": "2022-09-04T14:36:16.898258Z",
"structure_string": "Si4 Te2 N4\n1.0\n6.693822 -0.004874 0.000000\n-2.385606 5.128013 -0.000000\n-0.000000 -0.000000 5.014249\nSi Te N\n4 2 4\ndirect\n0.605393 0.158843 0.862814 Si\n0.394606 0.553449 0.862814 Si\n0.394606 0.841157 0.362814 Si\n0.605393 0.446551 0.362814 Si\n-0.000001 0.763586 0.467545 Te\n-0.000000 0.236414 0.967545 Te\n0.525422 0.144603 0.200214 N\n0.474577 0.619180 0.200214 N\n0.474577 0.855397 0.700214 N\n0.525422 0.380820 0.700214 N\n",
"nsites": 10,
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"elements": [
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"Te",
"N"
],
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"density": 4.087813018107357,
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"volume": 172.06083954361782,
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"formula_full": "Si4 Te2 N4",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-117122",
"created_at": "2022-09-04T14:38:48.022846Z",
"updated_at": "2022-09-04T14:38:48.022870Z",
"structure_string": "Si4 W2 O12\n1.0\n6.365150 0.281966 1.595605\n0.286967 6.364926 1.595605\n-0.028356 -0.028333 5.140802\nSi W O\n4 2 12\ndirect\n0.784097 0.590532 0.775901 Si\n0.409469 0.215904 0.724096 Si\n0.590531 0.784098 0.275901 Si\n0.215903 0.409469 0.224096 Si\n0.930031 0.069969 0.749999 W\n0.069969 0.930032 0.249999 W\n0.042741 0.226832 0.334846 O\n0.773169 0.957260 0.165151 O\n0.353625 0.894654 0.325294 O\n0.105347 0.646376 0.174704 O\n0.646375 0.105348 0.674704 O\n0.354538 0.374251 0.453813 O\n0.625750 0.645462 0.046185 O\n0.957259 0.773170 0.665151 O\n0.374250 0.354539 0.953813 O\n0.645462 0.625751 0.546185 O\n0.894653 0.353626 0.825293 O\n0.226831 0.042742 0.834846 O\n",
"nsites": 18,
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"elements": [
"Si",
"W",
"O"
],
"chemical_system": "O-Si-W",
"density": 5.354459576119583,
"density_atomic": 0.08636946193756094,
"volume": 208.40699474326627,
"volume_molar": 6.972534765069608,
"formula_full": "Si4 W2 O12",
"formula_reduced": "Si2WO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-10867",
"created_at": "2022-09-04T14:38:27.197613Z",
"updated_at": "2022-09-04T14:38:27.197635Z",
"structure_string": "Si5 C5\n1.0\n3.078332 0.000449 12.435273\n1.516661 2.678781 12.435273\n0.000769 0.000449 12.810626\nSi C\n5 5\ndirect\n0.916638 0.916639 0.916639 Si\n0.650002 0.650003 0.650003 Si\n0.450042 0.450043 0.450043 Si\n0.183400 0.183400 0.183400 Si\n0.050022 0.050022 0.050022 Si\n0.866653 0.866655 0.866654 C\n0.599862 0.599863 0.599863 C\n0.399901 0.399901 0.399901 C\n0.133420 0.133420 0.133420 C\n0.000057 0.000057 0.000057 C\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Si",
"C"
],
"chemical_system": "C-Si",
"density": 3.152654222820617,
"density_atomic": 0.09470088189900899,
"volume": 105.59563754289226,
"volume_molar": 6.359117929252378,
"formula_full": "Si5 C5",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9278343,
"spacegroup": 160
},
{
"id": "jvasp-22643",
"created_at": "2022-09-04T14:37:19.735337Z",
"updated_at": "2022-09-04T14:37:19.735358Z",
"structure_string": "Si5 C5\n1.0\n3.100420 -0.000000 -0.000000\n-1.550210 2.685042 -0.000000\n0.000000 -0.000000 12.686398\nSi C\n5 5\ndirect\n0.666667 0.333333 0.399654 Si\n0.666667 0.333333 0.800157 Si\n0.000000 0.000000 0.000242 Si\n0.333333 0.666667 0.199948 Si\n0.000000 0.000000 0.599724 Si\n0.666667 0.333333 0.950523 C\n0.333333 0.666667 0.349926 C\n0.000000 0.000000 0.150155 C\n0.666667 0.333333 0.549595 C\n0.000000 0.000000 0.750077 C\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "C-Si",
"density": 3.1521898928153544,
"density_atomic": 0.09468693414011041,
"volume": 105.61119219683228,
"volume_molar": 6.360054652407377,
"formula_full": "Si5 C5",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9282593,
"spacegroup": 156
},
{
"id": "jvasp-112520",
"created_at": "2022-09-04T14:38:41.595143Z",
"updated_at": "2022-09-04T14:38:41.595169Z",
"structure_string": "Si5 H8 Cl4\n1.0\n7.116505 -0.022838 -1.661057\n-4.484552 5.525753 -1.661057\n0.010923 0.022838 7.307779\nSi H Cl\n5 8 4\ndirect\n0.250000 0.750000 0.499999 Si\n0.850074 0.613597 0.374220 Si\n0.239377 0.475854 0.625779 Si\n0.386402 0.760622 0.236476 Si\n0.524146 0.149925 0.763523 Si\n0.664844 0.327311 0.685347 H\n0.641964 0.979496 0.314651 H\n0.020503 0.335156 0.662468 H\n0.672688 0.358035 0.337531 H\n0.408555 0.221976 0.870872 H\n0.351103 0.537683 0.129127 H\n0.462316 0.591445 0.813421 H\n0.778023 0.648896 0.186578 H\n0.823764 0.814527 0.607711 Cl\n0.206816 0.216052 0.392288 Cl\n0.185472 0.793184 0.009237 Cl\n0.783947 0.176235 0.990762 Cl\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Si",
"H",
"Cl"
],
"chemical_system": "Cl-H-Si",
"density": 1.6786919412831929,
"density_atomic": 0.05919966861930555,
"volume": 287.16376960353705,
"volume_molar": 10.17259201014535,
"formula_full": "Si5 H8 Cl4",
"formula_reduced": "Si5(H2Cl)4",
"formula_anonymous": "A4B5C8",
"energy_above_hull": 2.679057015882353,
"spacegroup": 82
},
{
"id": "jvasp-54225",
"created_at": "2022-09-04T14:37:05.145212Z",
"updated_at": "2022-09-04T14:37:05.145239Z",
"structure_string": "Si5 O10\n1.0\n6.979828 0.000000 0.000000\n0.000000 6.979828 -0.000000\n0.000000 0.000000 6.476733\nSi O\n5 10\ndirect\n0.269800 0.000000 0.119332 Si\n0.000000 0.269800 0.880668 Si\n0.000000 0.730200 0.880668 Si\n0.730200 0.000000 0.119332 Si\n0.000000 0.000000 0.500000 Si\n0.191717 0.000000 0.356443 O\n0.000000 0.191717 0.643557 O\n0.000000 0.808283 0.643557 O\n0.808283 0.000000 0.356443 O\n0.191027 0.808973 0.000000 O\n0.191027 0.191027 0.000000 O\n0.808973 0.808973 0.000000 O\n0.808973 0.191027 0.000000 O\n0.500000 0.000000 0.120253 O\n0.000000 0.500000 0.879747 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "O-Si",
"density": 1.5810102023385801,
"density_atomic": 0.04753853827756645,
"volume": 315.53347123166674,
"volume_molar": 12.667913188323386,
"formula_full": "Si5 O10",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4100885333333335,
"spacegroup": 115
},
{
"id": "jvasp-88859",
"created_at": "2022-09-04T14:35:56.757765Z",
"updated_at": "2022-09-04T14:35:56.757786Z",
"structure_string": "Si5 P6 O25\n1.0\n7.159151 -0.002785 5.953484\n2.790560 6.592891 5.953484\n-0.004204 -0.002785 9.311142\nSi P O\n5 6 25\ndirect\n0.179672 0.179671 0.179672 Si\n0.000000 0.000000 0.000000 Si\n0.820329 0.820327 0.820328 Si\n0.433826 0.433824 0.433825 Si\n0.566176 0.566174 0.566175 Si\n0.927805 0.174163 0.621354 P\n0.825836 0.378644 0.072195 P\n0.072196 0.825835 0.378645 P\n0.621355 0.927804 0.174164 P\n0.378646 0.072195 0.825835 P\n0.174165 0.621354 0.927804 P\n0.250972 0.973750 0.897212 O\n0.432255 0.206146 0.590702 O\n0.026250 0.102787 0.749029 O\n0.102788 0.749029 0.026249 O\n0.749029 0.026249 0.102788 O\n0.973751 0.897211 0.250971 O\n0.897213 0.250970 0.973750 O\n0.096452 0.139730 0.428170 O\n0.733092 0.779314 0.076708 O\n0.139731 0.428170 0.096452 O\n0.428171 0.096451 0.139730 O\n0.903549 0.860268 0.571829 O\n0.860271 0.571828 0.903548 O\n0.571831 0.903547 0.860269 O\n0.793854 0.409297 0.567746 O\n0.076709 0.733091 0.779315 O\n0.409298 0.567745 0.793853 O\n0.206147 0.590702 0.432254 O\n0.590703 0.432253 0.206146 O\n0.500001 0.499999 0.500000 O\n0.266909 0.220684 0.923292 O\n0.923292 0.266907 0.220685 O\n0.220685 0.923291 0.266907 O\n0.567747 0.793853 0.409297 O\n0.779316 0.076707 0.733092 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "O-P-Si",
"density": 2.7421537181416236,
"density_atomic": 0.08185703721307262,
"volume": 439.79114350660586,
"volume_molar": 7.35690047555039,
"formula_full": "Si5 P6 O25",
"formula_reduced": "Si5P6O25",
"formula_anonymous": "A5B6C25",
"energy_above_hull": 3.3018248194444446,
"spacegroup": 148
},
{
"id": "jvasp-97446",
"created_at": "2022-09-04T14:36:10.762021Z",
"updated_at": "2022-09-04T14:36:10.762047Z",
"structure_string": "Si6 Ag18 O21\n1.0\n7.903286 0.025612 1.781428\n1.784183 7.699303 1.781428\n-0.061802 -0.049281 10.661588\nSi Ag O\n6 18 21\ndirect\n0.894917 0.894916 0.126490 Si\n0.105083 0.105083 0.873510 Si\n0.800950 0.800949 0.611960 Si\n0.344677 0.344676 0.875782 Si\n0.199050 0.199050 0.388041 Si\n0.655324 0.655323 0.124218 Si\n0.995250 0.636478 0.866479 Ag\n0.147272 0.840824 0.341642 Ag\n0.450593 0.098911 0.627180 Ag\n0.276211 0.559128 0.144689 Ag\n0.461310 0.461310 0.370259 Ag\n0.004751 0.363521 0.133521 Ag\n0.723790 0.440871 0.855311 Ag\n0.901089 0.549407 0.372821 Ag\n0.840825 0.147271 0.341642 Ag\n0.363522 0.004751 0.133521 Ag\n0.852729 0.159175 0.658359 Ag\n0.559129 0.276211 0.144689 Ag\n0.098911 0.450592 0.627180 Ag\n0.440872 0.723789 0.855311 Ag\n0.636479 0.995249 0.866479 Ag\n0.549408 0.901088 0.372821 Ag\n0.159176 0.852728 0.658359 Ag\n0.538690 0.538690 0.629741 Ag\n0.000000 0.000000 0.000000 O\n0.248336 0.527370 0.931271 O\n0.026338 0.752696 0.214963 O\n0.373489 0.373489 0.715674 O\n0.210104 0.210104 0.935273 O\n0.754173 0.754172 0.774854 O\n0.702034 0.702033 0.540632 O\n0.789896 0.789895 0.064728 O\n0.261885 0.986913 0.435909 O\n0.752697 0.026338 0.214962 O\n0.297967 0.297966 0.459368 O\n0.973663 0.247303 0.785038 O\n0.472630 0.751664 0.068730 O\n0.013087 0.738115 0.564092 O\n0.751664 0.472630 0.068730 O\n0.626511 0.626511 0.284327 O\n0.527370 0.248336 0.931271 O\n0.245827 0.245827 0.225146 O\n0.738115 0.013087 0.564092 O\n0.247304 0.973662 0.785038 O\n0.986914 0.261885 0.435909 O\n",
"nsites": 45,
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"elements": [
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],
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"density": 6.252427307020985,
"density_atomic": 0.06926803832997323,
"volume": 649.650272837709,
"volume_molar": 8.693967528446864,
"formula_full": "Si6 Ag18 O21",
"formula_reduced": "Si2Ag6O7",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 1.698551684,
"spacegroup": 12
},
{
"id": "jvasp-55235",
"created_at": "2022-09-04T14:37:32.090797Z",
"updated_at": "2022-09-04T14:37:32.090814Z",
"structure_string": "Si6 Ag6 Sn4 P12\n1.0\n8.553997 0.000000 -3.024295\n-4.276998 7.407978 -3.024295\n-0.000000 -0.000000 9.072883\nSi Ag Sn P\n6 6 4 12\ndirect\n0.250000 0.750000 0.500000 Si\n0.500000 0.750000 0.250001 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.500000 0.750000 Si\n0.750000 0.500000 0.250001 Si\n0.500000 0.250000 0.750000 Si\n0.803195 0.803195 0.000001 Ag\n-0.000000 0.803195 0.803195 Ag\n0.196805 0.196805 0.000000 Ag\n0.196805 0.000000 0.196805 Ag\n0.803195 0.000000 0.803195 Ag\n-0.000000 0.196805 0.196805 Ag\n0.408250 -0.000000 0.000000 Sn\n0.591750 0.591750 0.591750 Sn\n0.000000 0.000000 0.408250 Sn\n-0.000000 0.408250 0.000000 Sn\n0.497555 0.250990 0.497555 P\n0.497555 0.497555 0.250990 P\n0.502445 0.753435 0.000001 P\n-0.000000 0.502445 0.753435 P\n0.502445 0.000000 0.753435 P\n0.753435 0.000000 0.502445 P\n0.753435 0.502445 0.000001 P\n-0.000000 0.753435 0.502445 P\n0.749010 0.246565 0.246565 P\n0.246565 0.749010 0.246565 P\n0.246565 0.246565 0.749010 P\n0.250990 0.497555 0.497555 P\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.800988406065086,
"density_atomic": 0.048701680066959754,
"volume": 574.928831233397,
"volume_molar": 12.365365530963574,
"formula_full": "Si6 Ag6 Sn4 P12",
"formula_reduced": "Si3Ag3(SnP3)2",
"formula_anonymous": "A2B3C3D6",
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"spacegroup": 217
},
{
"id": "jvasp-37225",
"created_at": "2022-09-04T14:37:59.909911Z",
"updated_at": "2022-09-04T14:37:59.909931Z",
"structure_string": "Si6 As2\n1.0\n2.863143 -4.959110 -0.000000\n2.863143 4.959110 -0.000000\n-0.000000 0.000000 4.818376\nSi As\n6 2\ndirect\n0.682922 0.841460 0.750001 Si\n0.158539 0.317077 0.750001 Si\n0.158538 0.841461 0.750001 Si\n0.317077 0.158539 0.250000 Si\n0.841460 0.682922 0.250000 Si\n0.841461 0.158538 0.250000 Si\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750001 As\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.8635358451511337,
"density_atomic": 0.05846723060231574,
"volume": 136.82878285128047,
"volume_molar": 10.300027379373565,
"formula_full": "Si6 As2",
"formula_reduced": "Si3As",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0978343875,
"spacegroup": 194
},
{
"id": "jvasp-4216",
"created_at": "2022-09-04T14:36:12.655570Z",
"updated_at": "2022-09-04T14:36:12.655588Z",
"structure_string": "Si6 As6\n1.0\n3.723505 0.000000 -0.000000\n-1.861753 7.779609 -2.201287\n-0.000000 0.027090 9.645168\nSi As\n6 6\ndirect\n0.130997 0.261993 0.416119 Si\n0.869003 0.738007 0.583881 Si\n0.238245 0.476490 0.292054 Si\n0.761754 0.523510 0.707946 Si\n0.566574 0.133149 0.089259 Si\n0.433426 0.866851 0.910740 Si\n0.152585 0.305170 0.045092 As\n0.847414 0.694830 0.954908 As\n0.163169 0.326339 0.675285 As\n0.836830 0.673661 0.324715 As\n0.536307 0.072614 0.324448 As\n0.463693 0.927386 0.675552 As\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "As-Si",
"density": 3.6703120681933386,
"density_atomic": 0.04291575224508869,
"volume": 279.6176082728059,
"volume_molar": 14.032471633278147,
"formula_full": "Si6 As6",
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"formula_anonymous": "AB",
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"spacegroup": 12
},
{
"id": "jvasp-29463",
"created_at": "2022-09-04T14:36:32.997818Z",
"updated_at": "2022-09-04T14:36:32.997848Z",
"structure_string": "Si6 Bi4 O18\n1.0\n6.844076 -0.000000 -0.000000\n-3.422038 5.927144 0.000000\n0.000000 0.000000 9.655470\nSi Bi O\n6 4 18\ndirect\n0.218235 0.280783 0.750000 Si\n0.719217 0.937451 0.750000 Si\n0.781765 0.719217 0.250000 Si\n0.937452 0.218235 0.250000 Si\n0.062548 0.781765 0.750000 Si\n0.280783 0.062548 0.250000 Si\n0.333333 0.666667 0.471291 Bi\n0.333333 0.666667 0.028709 Bi\n0.666667 0.333333 0.528709 Bi\n0.666667 0.333333 0.971291 Bi\n0.071460 0.656245 0.608817 O\n0.415215 0.071461 0.108817 O\n0.751769 0.946055 0.250000 O\n0.656246 0.584785 0.391183 O\n0.656246 0.584785 0.108817 O\n0.071460 0.656245 0.891183 O\n0.415215 0.071461 0.391183 O\n0.805715 0.751769 0.750000 O\n0.946056 0.194285 0.750000 O\n0.928540 0.343754 0.108817 O\n0.928540 0.343754 0.391183 O\n0.053944 0.805714 0.250000 O\n0.343754 0.415215 0.608817 O\n0.343754 0.415215 0.891183 O\n0.584785 0.928539 0.608817 O\n0.194285 0.248231 0.250000 O\n0.248231 0.053945 0.750000 O\n0.584785 0.928539 0.891183 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-O-Si",
"density": 5.479239998138944,
"density_atomic": 0.07148654544000962,
"volume": 391.6820966470838,
"volume_molar": 8.424159711359511,
"formula_full": "Si6 Bi4 O18",
"formula_reduced": "Si3Bi2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.73292685,
"spacegroup": 176
}
]
}