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{
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"results": [
{
"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",
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"formula_full": "Si6 Ag18 O21",
"formula_reduced": "Si2Ag6O7",
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"spacegroup": 12
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{
"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,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Si",
"density": 2.7421537181416236,
"density_atomic": 0.08185703721307262,
"volume": 439.79114350660586,
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"formula_full": "Si5 P6 O25",
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"formula_anonymous": "A5B6C25",
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"spacegroup": 148
},
{
"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,
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"elements": [
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],
"chemical_system": "O-Si",
"density": 1.5810102023385801,
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"volume": 315.53347123166674,
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"formula_full": "Si5 O10",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 115
},
{
"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-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-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,
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"elements": [
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],
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"volume": 105.59563754289226,
"volume_molar": 6.359117929252378,
"formula_full": "Si5 C5",
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"formula_anonymous": "AB",
"energy_above_hull": 2.9278343,
"spacegroup": 160
},
{
"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": [
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],
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"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-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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],
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"density": 4.087813018107357,
"density_atomic": 0.05811897713927507,
"volume": 172.06083954361782,
"volume_molar": 10.361745950154406,
"formula_full": "Si4 Te2 N4",
"formula_reduced": "Si2TeN2",
"formula_anonymous": "AB2C2",
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"spacegroup": 36
},
{
"id": "jvasp-91598",
"created_at": "2022-09-04T14:35:58.354460Z",
"updated_at": "2022-09-04T14:35:58.354492Z",
"structure_string": "Si4 Tc4\n1.0\n4.795216 0.000000 0.000000\n-0.000000 4.795216 -0.000000\n-0.000000 0.000000 4.795216\nSi Tc\n4 4\ndirect\n0.655787 0.155786 0.344214 Si\n0.155786 0.344214 0.655787 Si\n0.344214 0.655787 0.155786 Si\n0.844215 0.844215 0.844215 Si\n0.366436 0.866437 0.633564 Tc\n0.866437 0.633564 0.366436 Tc\n0.633564 0.366436 0.866437 Tc\n0.133564 0.133564 0.133564 Tc\n",
"nsites": 8,
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"volume": 110.26165937835663,
"volume_molar": 8.300140415095472,
"formula_full": "Si4 Tc4",
"formula_reduced": "SiTc",
"formula_anonymous": "AB",
"energy_above_hull": 2.663410049999999,
"spacegroup": 198
},
{
"id": "jvasp-9832",
"created_at": "2022-09-04T14:38:35.544702Z",
"updated_at": "2022-09-04T14:38:35.544730Z",
"structure_string": "Si4 Sn2 O12\n1.0\n5.261751 0.110344 1.203372\n1.427039 6.464765 0.581359\n0.177350 -0.053209 6.643290\nSi Sn O\n4 2 12\ndirect\n0.235092 0.218431 0.386482 Si\n0.264911 0.613516 0.781568 Si\n0.735092 0.386481 0.218431 Si\n0.764912 0.781567 0.613516 Si\n0.250001 0.109049 0.890948 Sn\n0.750002 0.890948 0.109048 Sn\n0.648210 0.950019 0.810380 O\n0.851790 0.189619 0.049978 O\n0.692634 0.608154 0.096137 O\n0.807353 0.903869 0.391848 O\n0.307352 0.391846 0.903869 O\n0.540623 0.650018 0.634137 O\n0.959386 0.365870 0.349973 O\n0.351789 0.049978 0.189621 O\n0.040622 0.634135 0.650019 O\n0.459387 0.349974 0.365870 O\n0.192634 0.096135 0.608155 O\n0.148211 0.810380 0.950020 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.022648054607678,
"density_atomic": 0.0804882856194105,
"volume": 223.63502789850867,
"volume_molar": 7.4820089826185905,
"formula_full": "Si4 Sn2 O12",
"formula_reduced": "Si2SnO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-100443",
"created_at": "2022-09-04T14:36:39.821851Z",
"updated_at": "2022-09-04T14:36:39.821876Z",
"structure_string": "Si4 Se2 N4\n1.0\n6.098924 0.002013 0.000000\n-2.582602 4.981195 0.000000\n-0.000000 -0.000000 4.915848\nSi Se N\n4 2 4\ndirect\n0.624674 0.166040 0.909654 Si\n0.375325 0.541365 0.909654 Si\n0.375325 0.833959 0.409654 Si\n0.624674 0.458634 0.409654 Si\n-0.000000 0.781998 0.263513 Se\n-0.000000 0.218001 0.763513 Se\n0.555365 0.150055 0.255391 N\n0.444634 0.594689 0.255391 N\n0.444634 0.849943 0.755391 N\n0.555365 0.405310 0.755391 N\n",
"nsites": 10,
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"elements": [
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"Se",
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],
"chemical_system": "N-Se-Si",
"density": 3.627369030560424,
"density_atomic": 0.06694844229421487,
"volume": 149.36867322548767,
"volume_molar": 8.9951917529833,
"formula_full": "Si4 Se2 N4",
"formula_reduced": "Si2SeN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.6546894133333336,
"spacegroup": 36
},
{
"id": "jvasp-28397",
"created_at": "2022-09-04T14:35:41.296429Z",
"updated_at": "2022-09-04T14:35:41.296449Z",
"structure_string": "Si4 S4\n1.0\n0.000000 -3.958761 0.000000\n-6.655928 0.000000 0.000000\n0.000000 0.000000 -23.940451\nSi S\n4 4\ndirect\n0.000000 0.000000 0.521726 Si\n0.000000 0.500000 0.521726 Si\n0.500000 0.000000 0.466184 Si\n0.500000 0.500000 0.466184 Si\n0.052490 0.750000 0.579275 S\n0.947510 0.250000 0.579275 S\n0.447487 0.750000 0.408634 S\n0.552513 0.250000 0.408634 S\n",
"nsites": 8,
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"elements": [
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],
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"volume": 630.8124062557911,
"volume_molar": 47.48551379533348,
"formula_full": "Si4 S4",
"formula_reduced": "SiS",
"formula_anonymous": "AB",
"energy_above_hull": 1.4818842999999997,
"spacegroup": 53
}
]
}