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&page=1540",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1538",
"results": [
{
"id": "jvasp-27712",
"created_at": "2022-09-04T14:37:03.026006Z",
"updated_at": "2022-09-04T14:37:03.026039Z",
"structure_string": "Ca2 Cr2 Ge4 O12\n1.0\n5.381517 -0.120749 1.074612\n1.214935 6.667994 0.837243\n-0.127878 0.127123 6.826908\nCa Cr Ge O\n2 2 4 12\ndirect\n0.750001 0.308843 0.691156 Ca\n0.250001 0.691155 0.308844 Ca\n0.750001 0.911838 0.088160 Cr\n0.250000 0.088161 0.911839 Cr\n0.776511 0.387321 0.183639 Ge\n0.723491 0.816360 0.612678 Ge\n0.223490 0.612678 0.816361 Ge\n0.276511 0.183639 0.387322 Ge\n0.625434 0.982934 0.804956 O\n0.874568 0.195043 0.017064 O\n0.649068 0.637093 0.103850 O\n0.850934 0.896149 0.362906 O\n0.350933 0.362906 0.896150 O\n0.969137 0.603290 0.676778 O\n0.030864 0.396709 0.323222 O\n0.469137 0.676778 0.603290 O\n0.125434 0.804956 0.982935 O\n0.530865 0.323221 0.396709 O\n0.149067 0.103850 0.637094 O\n0.374567 0.017065 0.195043 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"Ge",
"O"
],
"chemical_system": "Ca-Cr-Ge-O",
"density": 4.491205473253921,
"density_atomic": 0.08113583615853068,
"volume": 246.50020196898146,
"volume_molar": 7.422294568128178,
"formula_full": "Ca2 Cr2 Ge4 O12",
"formula_reduced": "CaCr(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2383100720000004,
"spacegroup": 15
},
{
"id": "jvasp-17780",
"created_at": "2022-09-04T14:38:08.868477Z",
"updated_at": "2022-09-04T14:38:08.868502Z",
"structure_string": "Na2 In2\n1.0\n4.540437 0.000000 2.621423\n1.513479 4.280765 2.621423\n-0.000000 0.000000 5.242845\nNa In\n2 2\ndirect\n0.625000 0.625001 0.624999 Na\n0.375000 0.375000 0.375000 Na\n0.125000 0.125000 0.125000 In\n0.875001 0.875001 0.874999 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"In"
],
"chemical_system": "In-Na",
"density": 4.49124489219729,
"density_atomic": 0.039253097382101296,
"volume": 101.90278644925299,
"volume_molar": 15.341823095840551,
"formula_full": "Na2 In2",
"formula_reduced": "NaIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.13417875,
"spacegroup": 227
},
{
"id": "jvasp-102826",
"created_at": "2022-09-04T14:36:48.374543Z",
"updated_at": "2022-09-04T14:36:48.374566Z",
"structure_string": "Sr4 C2 N4\n1.0\n5.380757 -0.000000 0.000000\n-2.690379 5.408356 0.000000\n-0.000000 -0.000000 5.469846\nSr C N\n4 2 4\ndirect\n0.395181 0.790362 0.744569 Sr\n0.604819 0.209638 0.255432 Sr\n0.104819 0.209638 0.744569 Sr\n0.895181 0.790362 0.255432 Sr\n0.250000 0.500000 0.347008 C\n0.750000 0.500000 0.652993 C\n0.364947 0.729896 0.244508 N\n0.635053 0.270105 0.755493 N\n0.135053 0.270105 0.244508 N\n0.864948 0.729896 0.755493 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"C",
"N"
],
"chemical_system": "C-N-Sr",
"density": 4.491247116739012,
"density_atomic": 0.0628226497922629,
"volume": 159.17825868643283,
"volume_molar": 9.585938797413911,
"formula_full": "Sr4 C2 N4",
"formula_reduced": "Sr2CN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.1144178240000007,
"spacegroup": 67
},
{
"id": "jvasp-26728",
"created_at": "2022-09-04T14:37:55.171024Z",
"updated_at": "2022-09-04T14:37:55.171048Z",
"structure_string": "Rb1 Au1 S2 O8\n1.0\n-4.237159 0.002262 0.020615\n1.357309 4.787682 0.005396\n-0.216746 -1.985650 -8.651590\nRb Au S O\n1 1 2 8\ndirect\n-0.000000 0.500000 -0.000000 Rb\n0.000000 -0.000000 0.500000 Au\n0.546732 0.123843 0.263779 S\n0.453268 0.876156 0.736220 S\n0.539291 0.630756 0.765399 O\n0.317183 0.040739 0.862748 O\n0.682818 0.959260 0.137251 O\n0.217777 0.754522 0.591657 O\n0.782224 0.245477 0.408342 O\n0.247746 0.901765 0.308658 O\n0.752255 0.098234 0.691341 O\n0.460710 0.369243 0.234600 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Au",
"S",
"O"
],
"chemical_system": "Au-O-Rb-S",
"density": 4.491330678406799,
"density_atomic": 0.06839375451578526,
"volume": 175.45461694503703,
"volume_molar": 8.805103335290786,
"formula_full": "Rb1 Au1 S2 O8",
"formula_reduced": "RbAu(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.1878137975,
"spacegroup": 2
},
{
"id": "jvasp-111148",
"created_at": "2022-09-04T14:38:39.326717Z",
"updated_at": "2022-09-04T14:38:39.326735Z",
"structure_string": "Li1 V2 Cr1 O6\n1.0\n4.371520 0.002427 3.078323\n1.600261 4.067310 3.079605\n0.005855 0.002588 5.346638\nLi V Cr O\n1 2 1 6\ndirect\n0.288789 0.288807 0.288730 Li\n0.002226 0.002269 0.002108 V\n0.497662 0.497752 0.497609 V\n0.805291 0.805258 0.805182 Cr\n0.088465 0.731290 0.387631 O\n0.387714 0.088451 0.731229 O\n0.731307 0.387704 0.088381 O\n0.219654 0.609922 0.869674 O\n0.609957 0.869728 0.219566 O\n0.869736 0.219624 0.609879 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.491405937105757,
"density_atomic": 0.1053198636882667,
"volume": 94.94885057579185,
"volume_molar": 5.717953431676256,
"formula_full": "Li1 V2 Cr1 O6",
"formula_reduced": "LiV2CrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.19001268,
"spacegroup": 146
},
{
"id": "jvasp-109803",
"created_at": "2022-09-04T14:38:27.222017Z",
"updated_at": "2022-09-04T14:38:27.222046Z",
"structure_string": "Na2 In2 N2\n1.0\n3.508439 0.000000 0.000000\n-1.754219 3.038141 0.000000\n-0.000000 -0.000000 10.531416\nNa In N\n2 2 2\ndirect\n0.666229 0.332456 0.740168 Na\n0.333771 0.667544 0.240168 Na\n0.999506 0.999012 0.508667 In\n0.000494 0.000988 0.008667 In\n0.332852 0.665704 0.595806 N\n0.667148 0.334296 0.095806 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"In",
"N"
],
"chemical_system": "In-N-Na",
"density": 4.491419654290372,
"density_atomic": 0.05344937443972143,
"volume": 112.25575720753508,
"volume_molar": 11.266999517069346,
"formula_full": "Na2 In2 N2",
"formula_reduced": "NaInN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.192294073333333,
"spacegroup": 186
},
{
"id": "jvasp-8642",
"created_at": "2022-09-04T14:37:06.321023Z",
"updated_at": "2022-09-04T14:37:06.321040Z",
"structure_string": "Mn1 O2\n1.0\n2.689043 -0.043637 3.935279\n1.183958 2.414767 3.935279\n-0.071276 -0.043637 4.765742\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.262317 0.262314 0.262316 O\n0.737686 0.737682 0.737686 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.491639174154083,
"density_atomic": 0.09334114905791793,
"volume": 32.14016572839175,
"volume_molar": 6.451753402203436,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.099054747126438,
"spacegroup": 166
},
{
"id": "jvasp-69696",
"created_at": "2022-09-04T14:36:00.646624Z",
"updated_at": "2022-09-04T14:36:00.646641Z",
"structure_string": "Ca1 Be2 Rh1\n1.0\n-2.194344 2.194344 3.090405\n2.194344 -2.194344 3.090405\n2.194344 2.194344 -3.090405\nCa Be Rh\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Rh"
],
"chemical_system": "Be-Ca-Rh",
"density": 4.491706534553813,
"density_atomic": 0.06720091389583967,
"volume": 59.523000032409314,
"volume_molar": 8.961397116316336,
"formula_full": "Ca1 Be2 Rh1",
"formula_reduced": "CaBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5853214049999995,
"spacegroup": 216
},
{
"id": "jvasp-42672",
"created_at": "2022-09-04T14:37:29.941310Z",
"updated_at": "2022-09-04T14:37:29.941331Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.711825 -0.043531 -0.049577\n-0.147095 7.644326 0.131065\n-0.098119 -1.938391 7.489879\nFe O F\n8 6 10\ndirect\n0.555959 0.867335 0.641670 Fe\n0.444043 0.132666 0.358329 Fe\n0.510110 0.623626 0.897074 Fe\n0.489892 0.376375 0.102925 Fe\n0.000000 0.500000 0.500000 Fe\n0.041494 0.256794 0.734590 Fe\n0.000000 0.000000 0.000000 Fe\n0.958508 0.743207 0.265409 Fe\n0.799238 0.717738 0.483188 O\n0.702500 0.833433 0.868023 O\n0.698255 0.592934 0.099506 O\n0.301747 0.407066 0.900494 O\n0.200764 0.282262 0.516811 O\n0.297502 0.166567 0.131976 O\n0.781091 0.463782 0.713940 F\n0.208494 0.017077 0.765139 F\n0.218911 0.536219 0.286059 F\n0.196870 0.784405 0.052794 F\n0.291992 0.652195 0.680105 F\n0.297430 0.900117 0.408518 F\n0.708010 0.347806 0.319894 F\n0.702572 0.099883 0.591481 F\n0.791508 0.982924 0.234860 F\n0.803132 0.215596 0.947205 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.491915100581397,
"density_atomic": 0.08860200042140641,
"volume": 270.8742453426769,
"volume_molar": 6.7968451404682275,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.9074744927083327,
"spacegroup": 2
},
{
"id": "jvasp-18463",
"created_at": "2022-09-04T14:36:56.957022Z",
"updated_at": "2022-09-04T14:36:56.957038Z",
"structure_string": "Ti1 Br2\n1.0\n1.866824 -3.233433 0.000000\n1.866824 3.233433 -0.000000\n0.000000 0.000000 6.359038\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.750682 Br\n0.666666 0.333332 0.249319 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Br"
],
"chemical_system": "Br-Ti",
"density": 4.492050797903942,
"density_atomic": 0.03907802414647362,
"volume": 76.76949041116549,
"volume_molar": 15.41055591098363,
"formula_full": "Ti1 Br2",
"formula_reduced": "TiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7117455144444442,
"spacegroup": 164
},
{
"id": "jvasp-99185",
"created_at": "2022-09-04T14:36:34.097808Z",
"updated_at": "2022-09-04T14:36:34.097820Z",
"structure_string": "Ba8 H16 O16\n1.0\n9.009845 0.000000 -0.961050\n0.000000 8.102666 0.000000\n-0.034668 0.000000 6.944317\nBa H O\n8 16 16\ndirect\n0.899086 0.125246 0.256650 Ba\n0.399085 0.374755 0.756650 Ba\n0.100915 0.874755 0.743350 Ba\n0.600915 0.625246 0.243350 Ba\n0.334116 0.031074 0.247074 Ba\n0.834116 0.468926 0.747074 Ba\n0.665884 0.968927 0.752926 Ba\n0.165884 0.531074 0.252926 Ba\n0.096608 0.241618 0.559085 H\n0.596609 0.258382 0.059085 H\n0.903392 0.758383 0.440915 H\n0.403392 0.741618 0.940916 H\n0.129247 0.268891 0.948843 H\n0.370753 0.768891 0.551158 H\n0.870753 0.731110 0.051158 H\n0.629247 0.231109 0.448842 H\n0.969091 0.159328 0.779630 H\n0.530909 0.659329 0.720371 H\n0.030909 0.840672 0.220371 H\n0.792841 0.402494 0.105868 H\n0.292840 0.097507 0.605868 H\n0.207160 0.597507 0.894133 H\n0.707160 0.902494 0.394133 H\n0.469091 0.340672 0.279629 H\n0.824166 0.748559 0.527020 O\n0.324166 0.751442 0.027019 O\n0.601877 0.342632 0.487600 O\n0.101876 0.157368 0.987601 O\n0.398124 0.657368 0.512400 O\n0.898124 0.842632 0.012400 O\n0.409191 0.350158 0.150348 O\n0.870397 0.478165 0.167436 O\n0.590809 0.649843 0.849652 O\n0.090809 0.850158 0.349652 O\n0.370397 0.021836 0.667436 O\n0.129603 0.521836 0.832565 O\n0.629603 0.978165 0.332564 O\n0.675834 0.248559 0.972981 O\n0.909191 0.149843 0.650349 O\n0.175834 0.251442 0.472981 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 4.49219539730163,
"density_atomic": 0.07894352679780937,
"volume": 506.691322550717,
"volume_molar": 7.628416165677451,
"formula_full": "Ba8 H16 O16",
"formula_reduced": "Ba(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6961985940000002,
"spacegroup": 14
},
{
"id": "jvasp-117618",
"created_at": "2022-09-04T14:38:36.155659Z",
"updated_at": "2022-09-04T14:38:36.155686Z",
"structure_string": "Ba1 Pd1 S1\n1.0\n5.224146 -0.000000 -0.000000\n-2.612073 4.524243 0.000000\n0.000000 0.000000 4.313566\nBa Pd S\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.000000 Pd\n0.666667 0.333333 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"S"
],
"chemical_system": "Ba-Pd-S",
"density": 4.492256841132013,
"density_atomic": 0.029425481527328993,
"volume": 101.95245223816447,
"volume_molar": 20.46573394018012,
"formula_full": "Ba1 Pd1 S1",
"formula_reduced": "BaPdS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8530305566666666,
"spacegroup": 187
}
]
}