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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=285",
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"results": [
{
"id": "jvasp-30505",
"created_at": "2022-09-04T14:37:07.865916Z",
"updated_at": "2022-09-04T14:37:07.865939Z",
"structure_string": "Ag2 H2 O4\n1.0\n-3.277531 -0.055938 -1.200283\n0.115990 0.016918 -5.549758\n-1.609154 -5.274474 -0.708367\nAg H O\n2 2 4\ndirect\n0.842213 0.172047 0.997969 Ag\n0.843405 0.673758 0.496808 Ag\n0.273683 0.700090 0.024013 H\n0.831581 0.643664 0.968480 H\n0.966302 0.796554 0.120966 O\n0.186072 0.231356 0.375411 O\n0.726225 0.546603 0.871404 O\n0.183904 0.050981 0.555897 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-H-O",
"density": 4.864546280948024,
"density_atomic": 0.08318010981236897,
"volume": 96.17683864623118,
"volume_molar": 7.23988075224265,
"formula_full": "Ag2 H2 O4",
"formula_reduced": "AgHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.677148565,
"spacegroup": 8
},
{
"id": "jvasp-29843",
"created_at": "2022-09-04T14:37:07.931459Z",
"updated_at": "2022-09-04T14:37:07.931475Z",
"structure_string": "Al2 H6 O6\n1.0\n5.119305 -0.122094 -0.010031\n-2.663238 4.373584 -0.010455\n-0.009419 -0.015466 4.674709\nAl H O\n2 6 6\ndirect\n0.357802 0.682598 0.981172 Al\n0.683785 0.356618 0.981166 Al\n0.572161 0.017954 0.567086 H\n0.178919 0.177759 0.736252 H\n0.019130 0.570938 0.567088 H\n0.187657 0.966429 0.260902 H\n0.603771 0.602565 0.402421 H\n0.967641 0.186445 0.260844 H\n0.652879 0.022413 0.761398 O\n0.377609 0.376431 0.765121 O\n0.023594 0.651683 0.761385 O\n0.394777 0.011746 0.216954 O\n0.672043 0.670849 0.204059 O\n0.012951 0.393583 0.216966 O\n",
"nsites": 14,
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"elements": [
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"H",
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],
"chemical_system": "Al-H-O",
"density": 2.5116028444385177,
"density_atomic": 0.13573301394683376,
"volume": 103.14366116915197,
"volume_molar": 4.436754614731281,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.449407614285714,
"spacegroup": 8
},
{
"id": "jvasp-5317",
"created_at": "2022-09-04T14:37:07.995520Z",
"updated_at": "2022-09-04T14:37:07.995558Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038860 -0.393096 -0.042230\n-0.084474 4.319007 1.741315\n-0.542975 0.467193 4.602179\nCu C O\n1 1 3\ndirect\n0.463333 0.434879 0.434880 Cu\n0.110538 0.021807 0.021807 C\n0.385619 0.155053 0.155054 O\n0.977757 0.171094 0.707166 O\n0.977757 0.707164 0.171096 O\n",
"nsites": 5,
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"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 3.5341928635191637,
"density_atomic": 0.08612935182843806,
"volume": 58.05221906185421,
"volume_molar": 6.991972692416824,
"formula_full": "Cu1 C1 O3",
"formula_reduced": "CuCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.54746819,
"spacegroup": 8
},
{
"id": "jvasp-77050",
"created_at": "2022-09-04T14:37:08.190462Z",
"updated_at": "2022-09-04T14:37:08.190488Z",
"structure_string": "Ag1 Br1 O2\n1.0\n-0.178555 3.809150 -2.189504\n-5.157846 -0.037256 -0.021235\n-0.020674 0.007372 4.425850\nAg Br O\n1 1 2\ndirect\n0.553872 0.867195 0.656498 Ag\n0.886608 0.999773 0.320318 Br\n0.298523 0.503286 0.019338 O\n0.976313 0.470893 0.864160 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 4.191285481064629,
"density_atomic": 0.04593965744531916,
"volume": 87.07074067239402,
"volume_molar": 13.108806410165347,
"formula_full": "Ag1 Br1 O2",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.09644459125,
"spacegroup": 8
},
{
"id": "jvasp-9232",
"created_at": "2022-09-04T14:37:08.196377Z",
"updated_at": "2022-09-04T14:37:08.196406Z",
"structure_string": "Zn1 Co4 O8\n1.0\n2.827543 -0.002594 -0.002908\n-1.407171 6.188478 -0.030057\n-1.406896 -1.222669 6.833777\nZn Co O\n1 4 8\ndirect\n0.524666 0.945414 0.101976 Zn\n0.196565 0.818170 0.571917 Co\n0.347044 0.487461 0.203807 Co\n0.685148 0.513482 0.854023 Co\n0.845134 0.193800 0.493387 Co\n0.484150 0.357042 0.608338 O\n0.261048 0.709506 0.809866 O\n0.776303 0.299277 0.250372 O\n0.552912 0.647748 0.454974 O\n0.841872 0.004100 0.676757 O\n0.891249 0.665964 0.113966 O\n0.190417 0.004239 0.373164 O\n0.149265 0.354128 0.941528 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Zn",
"density": 5.967192714924646,
"density_atomic": 0.10886001208486766,
"volume": 119.4194245529309,
"volume_molar": 5.532004493353463,
"formula_full": "Zn1 Co4 O8",
"formula_reduced": "Zn(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.8258670769230774,
"spacegroup": 8
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{
"id": "jvasp-12922",
"created_at": "2022-09-04T14:37:08.690948Z",
"updated_at": "2022-09-04T14:37:08.690968Z",
"structure_string": "Cd2 H4 O4\n1.0\n3.310701 0.114443 -0.987603\n-0.798034 5.029592 -2.669695\n-0.054937 -0.090852 6.143742\nCd H O\n2 4 4\ndirect\n0.849786 0.875410 0.690495 Cd\n0.159267 0.184921 0.309503 Cd\n0.149414 0.651470 0.273850 H\n0.875530 0.377624 0.726144 H\n0.358154 0.705344 0.000001 H\n0.505890 0.310228 -0.000003 H\n0.790997 0.198037 0.566600 O\n0.224419 0.631437 0.433404 O\n0.074039 0.712652 0.000009 O\n0.515504 0.139875 -0.000000 O\n",
"nsites": 10,
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"elements": [
"Cd",
"H",
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],
"chemical_system": "Cd-H-O",
"density": 4.780083550292653,
"density_atomic": 0.09829674683556476,
"volume": 101.7327665657995,
"volume_molar": 6.126490401634664,
"formula_full": "Cd2 H4 O4",
"formula_reduced": "Cd(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5002493500000005,
"spacegroup": 8
},
{
"id": "jvasp-43935",
"created_at": "2022-09-04T14:37:09.178368Z",
"updated_at": "2022-09-04T14:37:09.178395Z",
"structure_string": "Li4 Mn3 V3 Sn2 O16\n1.0\n5.838458 -0.043435 0.029391\n-2.881680 5.150079 0.087854\n-0.049440 -0.094436 9.725242\nLi Mn V Sn O\n4 3 3 2 16\ndirect\n0.667146 0.334277 0.894449 Li\n0.000579 0.001281 0.994528 Li\n-0.002691 -0.005409 0.492682 Li\n0.331967 0.663972 0.398563 Li\n0.835117 0.670307 0.215305 Mn\n0.168880 0.829129 0.714855 Mn\n0.660296 0.829137 0.714862 Mn\n0.821484 0.171592 0.214415 V\n0.167754 0.335457 0.716748 V\n0.350035 0.171590 0.214417 V\n0.666531 0.333047 0.493356 Sn\n0.333539 0.667135 0.991604 Sn\n0.158915 0.317914 0.099290 O\n0.164371 0.845140 0.100329 O\n0.333925 0.667797 0.610532 O\n0.487136 0.519483 0.833384 O\n0.032353 0.519471 0.833375 O\n0.839901 0.679754 0.601596 O\n0.967049 0.480818 0.335395 O\n0.513448 0.026958 0.342356 O\n0.838105 0.151918 0.602455 O\n0.996482 0.992915 0.809136 O\n0.003202 0.006488 0.307108 O\n0.672111 0.344313 0.103327 O\n0.483825 0.967639 0.835573 O\n0.313847 0.151911 0.602455 O\n0.513717 0.480816 0.335402 O\n0.680680 0.845154 0.100340 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"V",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn-V",
"density": 4.7820906419026254,
"density_atomic": 0.09613058093594332,
"volume": 291.2704752991956,
"volume_molar": 6.2645421481566395,
"formula_full": "Li4 Mn3 V3 Sn2 O16",
"formula_reduced": "Li4Mn3V3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.0388944187192117,
"spacegroup": 8
},
{
"id": "jvasp-43509",
"created_at": "2022-09-04T14:37:09.875919Z",
"updated_at": "2022-09-04T14:37:09.875938Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n-3.847129 -0.000569 0.000840\n1.922661 7.548528 -0.005274\n-0.001983 -1.440141 -9.184029\nSr Ti N O\n2 6 2 11\ndirect\n0.553896 0.111131 0.754208 Sr\n0.455087 0.913520 0.221582 Sr\n0.120279 0.243891 0.085002 Ti\n0.164483 0.332331 0.439723 Ti\n0.241023 0.485383 0.755439 Ti\n0.766506 0.536331 0.234267 Ti\n0.833280 0.669888 0.565646 Ti\n0.886006 0.775352 0.892447 Ti\n0.293953 0.591237 0.580533 N\n0.932151 0.867636 0.716414 N\n0.833902 0.671136 0.096063 O\n0.357413 0.718154 0.893970 O\n0.237543 0.478413 0.241290 O\n0.753654 0.510639 0.767961 O\n0.065214 0.133777 0.299081 O\n0.636357 0.276048 0.116161 O\n0.151498 0.306334 0.903479 O\n0.122152 0.247669 0.616552 O\n0.872465 0.748208 0.382137 O\n0.696847 0.397040 0.427168 O\n0.996543 -0.003593 0.019527 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Ti",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ti",
"density": 4.149121659844341,
"density_atomic": 0.07873350333382372,
"volume": 266.72254009784996,
"volume_molar": 7.648765144447603,
"formula_full": "Sr2 Ti6 N2 O11",
"formula_reduced": "Sr2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.398317981904761,
"spacegroup": 8
},
{
"id": "jvasp-34224",
"created_at": "2022-09-04T14:37:09.985679Z",
"updated_at": "2022-09-04T14:37:09.985710Z",
"structure_string": "Li4 C1 O4\n1.0\n4.859460 -0.577412 -0.892176\n-1.019767 4.402613 0.378746\n-0.699239 0.904520 4.388542\nLi C O\n4 1 4\ndirect\n0.558057 0.339977 0.339977 Li\n0.049618 0.353074 0.877004 Li\n0.049618 0.877004 0.353075 Li\n0.594092 0.681514 0.681514 Li\n0.454145 0.969272 0.969273 C\n0.279509 0.761311 0.761312 O\n0.640459 0.804371 0.244240 O\n0.640459 0.244240 0.804370 O\n0.275827 0.071705 0.071704 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 1.9610480497970193,
"density_atomic": 0.10242363961648812,
"volume": 87.87033963740518,
"volume_molar": 5.879639488060682,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.2201582222222225,
"spacegroup": 8
},
{
"id": "jvasp-50899",
"created_at": "2022-09-04T14:37:10.038656Z",
"updated_at": "2022-09-04T14:37:10.038682Z",
"structure_string": "Ce3 Th2 O9\n1.0\n3.917414 -0.001112 -0.001389\n-1.956028 6.570106 0.005371\n-1.956288 -1.797689 8.411253\nCe Th O\n3 2 9\ndirect\n0.004021 0.997635 0.012449 Ce\n0.611883 0.429854 0.795948 Ce\n0.187816 0.792868 0.584814 Ce\n0.802978 0.198828 0.409165 Th\n0.390234 0.588375 0.194119 Th\n0.129309 0.319830 0.940782 O\n0.056018 0.465271 0.648821 O\n0.359544 0.147954 0.573172 O\n0.772908 0.789620 0.758284 O\n0.639947 0.846030 0.435912 O\n0.253082 0.245343 0.262860 O\n0.943544 0.543495 0.345631 O\n0.844803 0.643246 0.048390 O\n0.542891 0.951745 0.136072 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.888472934228226,
"density_atomic": 0.06466985759546003,
"volume": 216.48416311006125,
"volume_molar": 9.31212930399706,
"formula_full": "Ce3 Th2 O9",
"formula_reduced": "Ce3Th2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.8128485142857143,
"spacegroup": 8
},
{
"id": "jvasp-50016",
"created_at": "2022-09-04T14:37:10.317038Z",
"updated_at": "2022-09-04T14:37:10.317062Z",
"structure_string": "Ce3 Y4 O12\n1.0\n-0.000000 -2.646522 -2.646522\n-2.734650 8.192259 -10.838783\n5.476647 0.000698 -0.000698\nCe Y O\n3 4 12\ndirect\n0.856830 0.286339 0.150881 Ce\n0.280122 0.439754 0.720701 Ce\n0.425509 0.148981 0.574163 Ce\n0.004284 0.991430 0.051993 Y\n0.572547 0.854904 0.424584 Y\n0.717743 0.564513 0.287936 Y\n0.142198 0.715603 0.798492 Y\n0.784787 0.430424 0.967775 O\n0.640654 0.718692 0.584071 O\n0.216756 0.566485 0.524985 O\n0.054997 0.890006 0.683944 O\n0.787215 0.425570 0.463290 O\n0.926860 0.146278 0.334150 O\n0.357010 0.285979 0.400747 O\n0.359715 0.280568 0.896546 O\n0.085355 0.829288 0.160107 O\n0.202132 0.595735 0.032400 O\n0.501609 0.996778 0.269163 O\n0.940805 0.118387 0.816933 O\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Ce-O-Y",
"density": 5.826928115624234,
"density_atomic": 0.06887868839917093,
"volume": 275.8472967703708,
"volume_molar": 8.743111839035087,
"formula_full": "Ce3 Y4 O12",
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"formula_anonymous": "A3B4C12",
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"spacegroup": 8
},
{
"id": "jvasp-34257",
"created_at": "2022-09-04T14:37:10.596923Z",
"updated_at": "2022-09-04T14:37:10.596956Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.773241 -0.502534 -0.646891\n-0.742920 5.559844 -2.062150\n-0.340970 -0.152445 5.964539\nRb C O\n4 1 4\ndirect\n0.097205 0.835705 0.835704 Rb\n0.767851 0.194221 0.659069 Rb\n0.311115 0.391227 0.391225 Rb\n0.767858 0.659061 0.194221 Rb\n0.600670 0.042712 0.042711 C\n0.597011 0.828027 0.828022 O\n0.845118 0.171915 0.171920 O\n0.479938 0.203609 0.966960 O\n0.479943 0.966966 0.203610 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "C-O-Rb",
"density": 3.7355533911154692,
"density_atomic": 0.04845039182589755,
"volume": 185.7570116737291,
"volume_molar": 12.42949857173511,
"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 8
}
]
}