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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=508",
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"results": [
{
"id": "jvasp-12670",
"created_at": "2022-09-04T14:37:02.207343Z",
"updated_at": "2022-09-04T14:37:02.207370Z",
"structure_string": "V4 O8\n1.0\n2.859862 0.000000 0.000000\n0.000000 4.824817 0.000000\n0.000000 0.000000 9.282824\nV O\n4 8\ndirect\n0.250000 0.397699 0.635922 V\n0.749999 0.602302 0.364078 V\n0.749999 0.897699 0.864077 V\n0.250000 0.102302 0.135922 V\n0.250000 0.716448 0.482842 O\n0.749999 0.283552 0.517158 O\n0.749999 0.216448 0.017158 O\n0.250000 0.783552 0.982841 O\n0.250000 0.105613 0.764185 O\n0.749999 0.894388 0.235815 O\n0.250000 0.394388 0.264185 O\n0.749999 0.605613 0.735814 O\n",
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"volume_molar": 6.427997446819132,
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"spacegroup": 62
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{
"id": "jvasp-90528",
"created_at": "2022-09-04T14:35:48.051829Z",
"updated_at": "2022-09-04T14:35:48.051858Z",
"structure_string": "V2 Ni1 O6\n1.0\n5.351393 0.055104 0.038397\n3.018377 4.420935 0.044280\n3.030216 1.619333 4.119292\nV Ni O\n2 1 6\ndirect\n-0.009878 0.988939 0.988569 V\n0.485929 0.485981 0.484085 V\n0.695569 0.695768 0.695868 Ni\n0.124012 0.753840 0.406068 O\n0.406290 0.123670 0.753653 O\n0.753579 0.406990 0.123432 O\n0.271210 0.651179 0.873491 O\n0.651439 0.872493 0.272903 O\n0.872661 0.271928 0.651933 O\n",
"nsites": 9,
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"elements": [
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"formula_full": "V2 Ni1 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 146
},
{
"id": "jvasp-101110",
"created_at": "2022-09-04T14:36:35.982700Z",
"updated_at": "2022-09-04T14:36:35.982713Z",
"structure_string": "Ta1 B2 Mo3 C2\n1.0\n8.922108 0.000909 0.000000\n-8.371772 3.085037 0.000000\n-0.000000 -0.000000 3.101505\nTa B Mo C\n1 2 3 2\ndirect\n0.315744 0.684257 0.499999 Ta\n0.471152 0.528849 0.499999 B\n0.528626 0.471376 -0.000000 B\n0.683035 0.316966 -0.000000 Mo\n0.072233 0.927768 0.499999 Mo\n0.931091 0.068909 -0.000000 Mo\n0.190346 0.809656 0.499999 C\n0.807777 0.192224 -0.000000 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"B",
"Mo",
"C"
],
"chemical_system": "B-C-Mo-Ta",
"density": 10.003205429505595,
"density_atomic": 0.09368489924015173,
"volume": 85.3926306681807,
"volume_molar": 6.428080521880963,
"formula_full": "Ta1 B2 Mo3 C2",
"formula_reduced": "TaB2Mo3C2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 6.599827758333333,
"spacegroup": 38
},
{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
"nsites": 30,
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"elements": [
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"N",
"Cl",
"O"
],
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"density": 3.464620513129578,
"density_atomic": 0.0936841069053421,
"volume": 320.22507329137306,
"volume_molar": 6.428134887473218,
"formula_full": "H16 Pt2 N4 Cl4 O4",
"formula_reduced": "H8PtN2(ClO)2",
"formula_anonymous": "AB2C2D2E8",
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"spacegroup": 14
},
{
"id": "jvasp-9501",
"created_at": "2022-09-04T14:37:09.545926Z",
"updated_at": "2022-09-04T14:37:09.545942Z",
"structure_string": "Zn2 Cr2 Si2 O10\n1.0\n5.163559 -0.063407 -0.041709\n-1.225568 5.275725 -0.007075\n-1.835678 -2.374026 6.310064\nZn Cr Si O\n2 2 2 10\ndirect\n0.306311 0.174367 0.794119 Zn\n0.702183 0.815493 0.234959 Zn\n0.004252 0.494918 0.514559 Cr\n0.004248 0.494925 0.014562 Cr\n0.690238 0.831573 0.752487 Si\n0.318267 0.158276 0.276623 Si\n0.742140 0.689270 0.933102 O\n0.947965 0.842619 0.652534 O\n0.266349 0.300582 0.096010 O\n0.060551 0.147213 0.376591 O\n0.629111 0.304879 0.466906 O\n0.323092 0.846224 0.165067 O\n0.379402 0.684940 0.562202 O\n0.685390 0.143623 0.864030 O\n0.896677 0.543878 0.254174 O\n0.111804 0.445963 0.774944 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si-Zn",
"density": 4.384629399906571,
"density_atomic": 0.09368091348986521,
"volume": 170.79252756999372,
"volume_molar": 6.428354011141769,
"formula_full": "Zn2 Cr2 Si2 O10",
"formula_reduced": "ZnCrSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-7844",
"created_at": "2022-09-04T14:37:03.431335Z",
"updated_at": "2022-09-04T14:37:03.431365Z",
"structure_string": "Al1 N1\n1.0\n2.696697 0.000000 1.556939\n0.898899 2.542471 1.556939\n0.000000 0.000000 3.113878\nAl N\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Al-N",
"density": 3.18800210875173,
"density_atomic": 0.09367856782562191,
"volume": 21.349600516127687,
"volume_molar": 6.42851497389448,
"formula_full": "Al1 N1",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy_above_hull": 1.4628130249999995,
"spacegroup": 216
},
{
"id": "jvasp-48685",
"created_at": "2022-09-04T14:35:47.048617Z",
"updated_at": "2022-09-04T14:35:47.048633Z",
"structure_string": "V6 O8 F4\n1.0\n4.659723 -0.022021 -0.020159\n0.339542 5.510312 0.040902\n0.344219 0.714825 7.485212\nV O F\n6 8 4\ndirect\n0.500000 0.000001 0.500000 V\n0.466377 0.648900 0.821507 V\n0.533622 0.351101 0.178492 V\n-0.000000 0.500000 0.500000 V\n0.985303 0.817869 0.164239 V\n0.014696 0.182132 0.835760 V\n0.195070 0.463646 0.730986 O\n0.292465 0.964369 0.735668 O\n0.302168 0.634351 0.064491 O\n0.301341 0.300909 0.400247 O\n0.698658 0.699092 0.599753 O\n0.697831 0.365650 0.935508 O\n0.804929 0.536355 0.269014 O\n0.707534 0.035632 0.264331 O\n0.203281 0.134660 0.070168 F\n0.796718 0.865341 0.929832 F\n0.796552 0.198761 0.601802 F\n0.203447 0.801240 0.398197 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.404302116764555,
"density_atomic": 0.0936782710221191,
"volume": 192.1470134280113,
"volume_molar": 6.428535341539411,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.652431907222222,
"spacegroup": 2
},
{
"id": "jvasp-46539",
"created_at": "2022-09-04T14:37:28.505070Z",
"updated_at": "2022-09-04T14:37:28.505098Z",
"structure_string": "Li2 Mn2 Al2 O6\n1.0\n5.511335 0.309004 -0.186845\n-2.456007 4.717121 0.222290\n-2.915521 -1.690574 4.843054\nLi Mn Al O\n2 2 2 6\ndirect\n0.316400 0.076351 0.569447 Li\n0.683599 0.923649 0.430553 Li\n0.666642 0.422030 0.261373 Mn\n0.333357 0.577970 0.738627 Mn\n0.008557 0.756691 0.921138 Al\n-0.008557 0.243309 0.078861 Al\n0.015514 0.757381 0.619481 O\n0.706502 0.426140 0.916138 O\n0.283320 0.071929 0.218714 O\n0.716679 0.928070 0.781286 O\n0.293497 0.573860 0.083862 O\n0.984485 0.242618 0.380519 O\n",
"nsites": 12,
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"elements": [
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"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.5479102037001558,
"density_atomic": 0.0936703400215209,
"volume": 128.10885491867523,
"volume_molar": 6.429079641022339,
"formula_full": "Li2 Mn2 Al2 O6",
"formula_reduced": "LiMnAlO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.1632100902298848,
"spacegroup": 2
},
{
"id": "jvasp-46809",
"created_at": "2022-09-04T14:38:07.321188Z",
"updated_at": "2022-09-04T14:38:07.321215Z",
"structure_string": "Li2 Mn2 Si4 O12\n1.0\n6.591473 0.048008 -0.014331\n-0.691946 6.555230 0.014331\n-1.420654 1.269255 4.943292\nLi Mn Si O\n2 2 4 12\ndirect\n0.241550 0.241550 0.250000 Li\n0.758449 0.758451 0.750000 Li\n0.104632 0.104633 0.750000 Mn\n0.895367 0.895368 0.250000 Mn\n0.208730 0.610230 0.759066 Si\n0.389771 0.791270 0.259066 Si\n0.610229 0.208731 0.740934 Si\n0.791270 0.389771 0.240934 Si\n0.797793 0.029429 0.863979 O\n0.659759 0.370914 0.468450 O\n0.626242 0.887422 0.345181 O\n0.629087 0.340242 0.968450 O\n0.370913 0.659759 0.031550 O\n0.112578 0.373758 0.845181 O\n0.340241 0.629087 0.531549 O\n0.202206 0.970572 0.136021 O\n0.887421 0.626243 0.154818 O\n0.029428 0.797794 0.636021 O\n0.373757 0.112579 0.654818 O\n0.970572 0.202207 0.363979 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Li-Mn-O-Si",
"density": 3.3293397818015933,
"density_atomic": 0.09367010421876265,
"volume": 213.51529569446006,
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"formula_full": "Li2 Mn2 Si4 O12",
"formula_reduced": "LiMn(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-46536",
"created_at": "2022-09-04T14:38:14.666777Z",
"updated_at": "2022-09-04T14:38:14.666805Z",
"structure_string": "Li4 Cr2 O6\n1.0\n0.000000 5.520681 0.000000\n-4.723611 2.760341 0.000000\n0.000000 0.000000 4.912648\nLi Cr O\n4 2 6\ndirect\n0.835462 0.658994 0.521688 Li\n0.505544 0.658994 0.021687 Li\n0.494456 0.341006 0.521688 Li\n0.164538 0.341006 0.021687 Li\n0.822206 0.000000 0.019135 Cr\n0.177794 0.000000 0.519135 Cr\n0.828103 0.692640 0.920608 O\n0.479258 0.692640 0.420607 O\n0.520741 0.307360 0.920608 O\n0.171897 0.307360 0.420607 O\n0.862765 0.000000 0.393276 O\n0.137235 0.000000 0.893276 O\n",
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"elements": [
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],
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"density_atomic": 0.09366963336337811,
"volume": 128.1098213916104,
"volume_molar": 6.429128142989476,
"formula_full": "Li4 Cr2 O6",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1143196500000005,
"spacegroup": 36
},
{
"id": "jvasp-102247",
"created_at": "2022-09-04T14:37:10.963945Z",
"updated_at": "2022-09-04T14:37:10.963967Z",
"structure_string": "Mn1 O2\n1.0\n2.880169 -0.000000 -0.000000\n-1.440085 2.494300 0.000000\n0.000000 0.000000 4.458231\nMn O\n1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.666668 0.333333 0.286108 O\n0.333334 0.666667 0.713892 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.507375575343272,
"density_atomic": 0.09366816859623871,
"volume": 32.027956187887575,
"volume_molar": 6.429228680619067,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-12701",
"created_at": "2022-09-04T14:38:14.297972Z",
"updated_at": "2022-09-04T14:38:14.297995Z",
"structure_string": "Li4 Mn2 P2 O8 F2\n1.0\n5.354030 -0.071173 -0.067175\n-0.488859 5.434052 0.038918\n-2.322773 -2.436921 6.627417\nLi Mn P O F\n4 2 2 8 2\ndirect\n0.136068 0.534741 0.097724 Li\n0.523179 0.191508 0.862006 Li\n0.501560 0.904771 0.477216 Li\n0.747909 0.428968 0.666844 Li\n0.000874 0.996600 0.016770 Mn\n0.008098 0.000493 0.501074 Mn\n0.659204 0.365347 0.259678 P\n0.345860 0.651176 0.781827 P\n0.368837 0.274562 0.093380 O\n0.698816 0.651047 0.398725 O\n0.623927 0.762574 0.953172 O\n0.855825 0.336936 0.143826 O\n0.705775 0.195302 0.397550 O\n0.345157 0.363929 0.660144 O\n0.307098 0.831905 0.651298 O\n0.107966 0.647194 0.860480 O\n0.819538 0.118751 0.746872 F\n0.172197 0.875837 0.272837 F\n",
"nsites": 18,
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"elements": [
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"Mn",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P",
"density": 3.1588993813751394,
"density_atomic": 0.09366497528702429,
"volume": 192.17428867985404,
"volume_molar": 6.429447871571977,
"formula_full": "Li4 Mn2 P2 O8 F2",
"formula_reduced": "Li2MnPO4F",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 2.114688558208812,
"spacegroup": 1
}
]
}