HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=346",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=344",
"results": [
{
"id": "jvasp-96828",
"created_at": "2022-09-04T14:36:22.239179Z",
"updated_at": "2022-09-04T14:36:22.239201Z",
"structure_string": "H20 C6 I2 N2\n1.0\n5.467372 0.015379 0.000000\n-1.655878 6.769588 0.000000\n0.000000 0.000000 8.102706\nH C I N\n20 6 2 2\ndirect\n0.293188 0.874504 0.102129 H\n0.274234 0.613140 0.404817 H\n0.293188 0.874504 0.397871 H\n0.165172 0.350497 0.861423 H\n0.473414 0.218398 0.489386 H\n0.274234 0.613140 0.095183 H\n0.526585 0.781603 0.510614 H\n0.591896 0.478882 0.250000 H\n0.706811 0.125497 0.602129 H\n0.706811 0.125497 0.897872 H\n0.312797 0.083857 0.750000 H\n0.725766 0.386861 0.904817 H\n0.834828 0.649504 0.361423 H\n0.526585 0.781603 -0.010614 H\n0.687202 0.916143 0.250000 H\n0.834828 0.649504 0.138578 H\n0.408103 0.521119 0.750000 H\n0.473414 0.218398 0.010614 H\n0.165172 0.350497 0.638578 H\n0.725766 0.386861 0.595184 H\n0.598055 0.239307 0.902428 C\n0.717280 0.627231 0.250000 C\n0.401944 0.760694 0.402428 C\n0.598055 0.239307 0.597573 C\n0.282719 0.372769 0.750000 C\n0.401944 0.760694 0.097572 C\n0.956098 0.797927 0.750000 I\n0.043901 0.202074 0.250000 I\n0.440266 0.224007 0.750000 N\n0.559733 0.775993 0.250000 N\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N",
"density": 2.069682329823811,
"density_atomic": 0.09996583560958947,
"volume": 300.1025281993659,
"volume_molar": 6.02419889082817,
"formula_full": "H20 C6 I2 N2",
"formula_reduced": "H10C3IN",
"formula_anonymous": "ABC3D10",
"energy_above_hull": 4.016619301666667,
"spacegroup": 11
},
{
"id": "jvasp-44629",
"created_at": "2022-09-04T14:38:13.525548Z",
"updated_at": "2022-09-04T14:38:13.525573Z",
"structure_string": "Mn1 Co4 O8\n1.0\n5.675760 0.003661 0.032900\n-2.834646 -4.899616 -0.026947\n-2.808991 1.470292 -4.691443\nMn Co O\n1 4 8\ndirect\n0.499999 -0.000001 0.000000 Mn\n-0.000002 0.500000 0.500000 Co\n-0.000000 -0.000001 -0.000000 Co\n0.499999 0.500000 0.000001 Co\n0.000002 0.500003 -0.000000 Co\n0.533989 0.273242 0.794545 O\n0.029406 0.763384 0.784300 O\n0.518473 0.763378 0.784320 O\n0.034694 0.279283 0.789884 O\n0.965305 0.720717 0.210116 O\n0.481527 0.236624 0.215679 O\n0.970596 0.236617 0.215701 O\n0.466010 0.726759 0.205454 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 5.345678288028059,
"density_atomic": 0.0999607151191634,
"volume": 130.05109041589657,
"volume_molar": 6.024507480584739,
"formula_full": "Mn1 Co4 O8",
"formula_reduced": "Mn(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.373349910875332,
"spacegroup": 12
},
{
"id": "jvasp-100537",
"created_at": "2022-09-04T14:36:39.941812Z",
"updated_at": "2022-09-04T14:36:39.941827Z",
"structure_string": "Ti2 H1 C1\n1.0\n2.953065 -0.002467 4.189695\n1.326353 2.638445 4.189695\n-0.004005 -0.002467 5.125829\nTi H C\n2 1 1\ndirect\n0.244182 0.244180 0.244183 Ti\n0.755819 0.755816 0.755822 Ti\n0.000000 0.000000 0.000000 H\n0.500000 0.499998 0.500002 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"H",
"C"
],
"chemical_system": "C-H-Ti",
"density": 4.5129182281689575,
"density_atomic": 0.0999605299431635,
"volume": 40.01579425673671,
"volume_molar": 6.024518640931702,
"formula_full": "Ti2 H1 C1",
"formula_reduced": "Ti2HC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8779466666666673,
"spacegroup": 166
},
{
"id": "jvasp-9437",
"created_at": "2022-09-04T14:37:06.382815Z",
"updated_at": "2022-09-04T14:37:06.382840Z",
"structure_string": "Mg2 Ge2 O6\n1.0\n4.445279 0.001396 3.141385\n1.627419 4.136667 3.141385\n0.002049 0.001396 5.443234\nMg Ge O\n2 2 6\ndirect\n0.358439 0.358440 0.358439 Mg\n0.641561 0.641563 0.641561 Mg\n0.152663 0.152664 0.152663 Ge\n0.847336 0.847339 0.847336 Ge\n0.046673 0.778381 0.440822 O\n0.778380 0.440823 0.046674 O\n0.440822 0.046675 0.778379 O\n0.953326 0.221622 0.559178 O\n0.559178 0.953328 0.221621 O\n0.221620 0.559179 0.953326 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-O",
"density": 4.811640465941115,
"density_atomic": 0.0999576944017484,
"volume": 100.04232350346294,
"volume_molar": 6.024689540953101,
"formula_full": "Mg2 Ge2 O6",
"formula_reduced": "MgGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0639031,
"spacegroup": 148
},
{
"id": "jvasp-8265",
"created_at": "2022-09-04T14:36:52.079804Z",
"updated_at": "2022-09-04T14:36:52.079825Z",
"structure_string": "Co1 O2\n1.0\n2.613014 -0.056685 3.840057\n1.140758 2.351537 3.840057\n-0.092721 -0.056685 4.643844\nCo O\n1 2\ndirect\n0.500001 0.499999 0.499999 Co\n0.762093 0.762091 0.762092 O\n0.237909 0.237907 0.237908 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.031061642535053,
"density_atomic": 0.09995742882596984,
"volume": 30.01277679143917,
"volume_molar": 6.024705547883595,
"formula_full": "Co1 O2",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0690226333333337,
"spacegroup": 166
},
{
"id": "jvasp-46875",
"created_at": "2022-09-04T14:38:06.833274Z",
"updated_at": "2022-09-04T14:38:06.833305Z",
"structure_string": "Li3 V4 O5 F7\n1.0\n5.728718 0.049403 0.002393\n-0.768426 5.604148 0.002440\n-0.880152 -1.198729 5.912820\nLi V O F\n3 4 5 7\ndirect\n0.591754 0.317202 0.141621 Li\n0.117517 0.589121 0.310406 Li\n0.635512 0.842420 0.355875 Li\n0.302764 0.155671 0.637047 V\n0.854201 0.405255 0.666478 V\n0.376106 0.679691 0.853739 V\n0.024666 -0.001612 0.996888 V\n0.188145 0.440948 0.580008 O\n0.034428 0.669802 0.883846 O\n0.572135 0.411942 0.797022 O\n0.969237 0.118911 0.720975 O\n0.334918 0.050802 0.938713 O\n0.589353 0.181505 0.414087 F\n0.809729 0.611115 0.443631 F\n0.458018 0.840893 0.601428 F\n0.930959 0.294045 0.136367 F\n0.384387 0.575518 0.154694 F\n0.129804 0.958633 0.324886 F\n0.696365 0.858134 0.042288 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.822578727694788,
"density_atomic": 0.09995594213465986,
"volume": 190.0837468412168,
"volume_molar": 6.02479515613691,
"formula_full": "Li3 V4 O5 F7",
"formula_reduced": "Li3V4O5F7",
"formula_anonymous": "A3B4C5D7",
"energy_above_hull": 1.8790566461842104,
"spacegroup": 1
},
{
"id": "jvasp-234",
"created_at": "2022-09-04T14:36:49.279435Z",
"updated_at": "2022-09-04T14:36:49.279455Z",
"structure_string": "Ni2 O4\n1.0\n-2.440945 -1.427377 -0.008201\n0.004561 2.795471 -0.424821\n-0.797890 1.416760 -9.094531\nNi O\n2 4\ndirect\n-0.001137 -0.000327 0.502015 Ni\n-0.003299 -0.000194 0.002135 Ni\n0.736317 0.474627 0.393542 O\n0.592525 0.191416 0.110698 O\n0.261376 0.524722 0.610496 O\n0.400897 0.808195 0.893571 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 5.017685778684552,
"density_atomic": 0.09995526646987614,
"volume": 60.02685212997997,
"volume_molar": 6.024835881774087,
"formula_full": "Ni2 O4",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4596198000000002,
"spacegroup": 166
},
{
"id": "jvasp-104165",
"created_at": "2022-09-04T14:36:57.989322Z",
"updated_at": "2022-09-04T14:36:57.989342Z",
"structure_string": "H10 C10 S2 N2 O2\n1.0\n5.113303 -0.056994 0.742163\n1.675890 5.934046 0.711094\n0.183766 0.036950 8.575815\nH C S N O\n10 10 2 2 2\ndirect\n0.407465 0.898127 0.700706 H\n0.407464 0.398127 0.200706 H\n0.200321 0.355051 0.497516 H\n0.200321 0.855051 0.997516 H\n0.794401 0.199383 0.646809 H\n0.794401 0.699383 0.146809 H\n0.698725 0.839217 0.806499 H\n0.698725 0.339217 0.306499 H\n0.718458 0.700672 0.487329 H\n0.718458 0.200672 0.987329 H\n0.607356 0.282905 0.216810 C\n0.607357 0.782906 0.716810 C\n0.335456 0.552788 0.870218 C\n0.335455 0.052788 0.370218 C\n0.958886 0.397532 0.020371 C\n0.951586 0.106080 0.561459 C\n0.951586 0.606081 0.061459 C\n0.170439 0.694783 0.976717 C\n0.170439 0.194782 0.476717 C\n0.958886 0.897532 0.520371 C\n0.233653 0.805954 0.373122 S\n0.233654 0.305954 0.873123 S\n0.796909 0.750271 0.574410 N\n0.796909 0.250271 0.074410 N\n0.564082 0.061654 0.267870 O\n0.564083 0.561655 0.767870 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6235290395179864,
"density_atomic": 0.09995145280157079,
"volume": 260.1262840232713,
"volume_molar": 6.025065760630303,
"formula_full": "H10 C10 S2 N2 O2",
"formula_reduced": "H5C5SNO",
"formula_anonymous": "ABCD5E5",
"energy_above_hull": 4.957261288461538,
"spacegroup": 1
},
{
"id": "jvasp-23849",
"created_at": "2022-09-04T14:37:41.843847Z",
"updated_at": "2022-09-04T14:37:41.843878Z",
"structure_string": "Sm4 Mn4 B16\n1.0\n3.497428 0.000000 0.000000\n0.000000 5.957526 -0.000000\n0.000000 -0.000000 11.524372\nSm Mn B\n4 4 16\ndirect\n0.000000 0.376494 0.651045 Sm\n0.000000 0.623507 0.348955 Sm\n0.000000 0.876494 0.848955 Sm\n0.000000 0.123506 0.151045 Sm\n0.000000 0.376426 0.918165 Mn\n0.000000 0.623574 0.081834 Mn\n0.000000 0.876427 0.581834 Mn\n0.000000 0.123574 0.418166 Mn\n0.500000 0.641638 0.532759 B\n0.500000 0.358363 0.467241 B\n0.500000 0.222764 0.818014 B\n0.500000 0.777237 0.181986 B\n0.500000 0.722764 0.681986 B\n0.500000 0.277236 0.318014 B\n0.500000 0.111374 0.545569 B\n0.500000 0.475418 0.188841 B\n0.500000 0.611375 0.954431 B\n0.500000 0.388626 0.045569 B\n0.500000 0.858363 0.032759 B\n0.500000 0.524582 0.811159 B\n0.500000 0.975419 0.311159 B\n0.500000 0.024582 0.688841 B\n0.500000 0.888626 0.454431 B\n0.500000 0.141637 0.967241 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"B"
],
"chemical_system": "B-Mn-Sm",
"density": 6.875067374854616,
"density_atomic": 0.09994918199091679,
"volume": 240.1220252325935,
"volume_molar": 6.025202648028957,
"formula_full": "Sm4 Mn4 B16",
"formula_reduced": "SmMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.281686074952108,
"spacegroup": 55
},
{
"id": "jvasp-8638",
"created_at": "2022-09-04T14:36:44.783186Z",
"updated_at": "2022-09-04T14:36:44.783198Z",
"structure_string": "Co1 O2\n1.0\n2.609862 -0.058997 3.842535\n1.137970 2.349480 3.842545\n-0.096574 -0.059007 4.644068\nCo O\n1 2\ndirect\n0.499990 0.500002 0.500006 Co\n0.762113 0.762091 0.762095 O\n0.237901 0.237900 0.237905 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.030544387035128,
"density_atomic": 0.09994715196325335,
"volume": 30.015862794199304,
"volume_molar": 6.025325025983837,
"formula_full": "Co1 O2",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.069005966666668,
"spacegroup": 166
},
{
"id": "jvasp-112230",
"created_at": "2022-09-04T14:38:43.913680Z",
"updated_at": "2022-09-04T14:38:43.913693Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.254708 -0.330059 -0.265821\n-1.608486 4.735076 0.003234\n0.011922 0.287163 10.195558\nH Pb C S O\n8 1 6 1 4\ndirect\n0.269426 0.283884 0.316869 H\n0.639459 0.300768 0.409554 H\n0.251661 0.705649 0.432512 H\n0.214924 0.406036 0.536152 H\n0.077505 0.713075 0.740231 H\n0.844722 0.410763 0.637720 H\n0.316773 0.308886 0.761744 H\n0.666338 0.285962 0.855659 H\n0.283627 0.972124 0.086862 Pb\n0.553287 0.645184 0.904686 C\n0.574961 0.439792 0.802584 C\n0.823829 0.582390 0.696470 C\n0.717897 0.640313 0.267101 C\n0.504862 0.434824 0.369370 C\n0.389756 0.577960 0.475869 C\n0.722292 0.831795 0.584868 S\n0.793240 0.895201 0.922121 O\n0.712747 0.892200 0.250385 O\n0.289029 0.555516 0.973184 O\n0.897577 0.549565 0.198184 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-Pb-S",
"density": 3.181192873606591,
"density_atomic": 0.09993779329738026,
"volume": 200.1244908468904,
"volume_molar": 6.025889267016529,
"formula_full": "H8 Pb1 C6 S1 O4",
"formula_reduced": "H8PbC6SO4",
"formula_anonymous": "ABC4D6E8",
"energy_above_hull": 4.308667241,
"spacegroup": 1
},
{
"id": "jvasp-101169",
"created_at": "2022-09-04T14:36:39.380669Z",
"updated_at": "2022-09-04T14:36:39.380686Z",
"structure_string": "Li2 Mg1 Zr1 O4\n1.0\n3.886947 -0.002479 -3.726791\n-0.709024 3.821734 -3.726791\n0.002063 0.002479 5.384917\nLi Mg Zr O\n2 1 1 4\ndirect\n0.500001 0.499999 0.000000 Li\n0.750000 0.250000 0.500001 Li\n0.250001 0.749999 0.500000 Mg\n0.000000 0.000000 0.000000 Zr\n0.767419 0.767417 0.000000 O\n0.012981 0.512980 0.500000 O\n0.487020 0.987018 0.500001 O\n0.232583 0.232582 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Zr",
"O"
],
"chemical_system": "Li-Mg-O-Zr",
"density": 4.011789626428991,
"density_atomic": 0.0999316962667109,
"volume": 80.05468033534169,
"volume_molar": 6.026256918452895,
"formula_full": "Li2 Mg1 Zr1 O4",
"formula_reduced": "Li2MgZrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.73608719375,
"spacegroup": 119
}
]
}