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=3889",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3887",
"results": [
{
"id": "jvasp-107793",
"created_at": "2022-09-04T14:36:11.485199Z",
"updated_at": "2022-09-04T14:36:11.485226Z",
"structure_string": "V2 O2 F6\n1.0\n5.553420 0.000000 0.000000\n-0.000000 4.045719 2.756364\n0.000000 0.037017 5.566019\nV O F\n2 2 6\ndirect\n0.276379 -0.000030 0.941493 V\n0.723621 -0.000030 0.441494 V\n0.519533 -0.000280 0.231232 O\n0.480467 -0.000280 0.731232 O\n-0.002443 0.000303 0.275359 F\n0.251926 0.579600 0.236186 F\n0.002443 0.000304 0.775359 F\n0.747497 0.420409 0.315729 F\n0.748074 0.579601 0.736186 F\n0.252503 0.420410 0.815729 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.3063460652235013,
"density_atomic": 0.08032881408490242,
"volume": 124.48833104184308,
"volume_molar": 7.496862525114565,
"formula_full": "V2 O2 F6",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8002297094999998,
"spacegroup": 39
},
{
"id": "jvasp-30049",
"created_at": "2022-09-04T14:38:12.220185Z",
"updated_at": "2022-09-04T14:38:12.220213Z",
"structure_string": "Zr2 Cl6\n1.0\n7.564496 0.000004 7.564496\n3.782247 3.088195 3.782247\n-1.726602 0.000001 6.769600\nZr Cl\n2 6\ndirect\n0.333346 -0.000000 -0.000038 Zr\n0.666655 -0.000001 0.000038 Zr\n0.083239 0.330302 0.750089 Cl\n0.246867 0.669896 0.249911 Cl\n0.413541 0.339592 0.750089 Cl\n0.586462 0.660405 0.249911 Cl\n0.753136 0.330101 0.750089 Cl\n0.916764 0.669695 0.249911 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Cl"
],
"chemical_system": "Cl-Zr",
"density": 3.306126047669931,
"density_atomic": 0.04030702324846014,
"volume": 198.47657691530537,
"volume_molar": 14.940673546836695,
"formula_full": "Zr2 Cl6",
"formula_reduced": "ZrCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7074916756249999,
"spacegroup": 148
},
{
"id": "jvasp-102381",
"created_at": "2022-09-04T14:36:41.948496Z",
"updated_at": "2022-09-04T14:36:41.948506Z",
"structure_string": "K2 In1 As1 F6\n1.0\n5.606296 -0.000000 3.236797\n1.868765 5.285667 3.236797\n-0.000000 -0.000000 6.473593\nK In As F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.774108 0.225893 0.225893 F\n0.225893 0.225893 0.774107 F\n0.225894 0.774108 0.774107 F\n0.225894 0.774108 0.225893 F\n0.774108 0.225893 0.774107 F\n0.774108 0.774108 0.225893 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"As",
"F"
],
"chemical_system": "As-F-In-K",
"density": 3.306037777181449,
"density_atomic": 0.052128927019142096,
"volume": 191.8320704419627,
"volume_molar": 11.552397304837351,
"formula_full": "K2 In1 As1 F6",
"formula_reduced": "K2InAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100366",
"created_at": "2022-09-04T14:36:33.615464Z",
"updated_at": "2022-09-04T14:36:33.615490Z",
"structure_string": "Na1 Y1 Zr1 S4\n1.0\n3.849916 0.000000 0.000000\n0.000000 6.275926 2.003164\n0.000000 0.038019 6.901029\nNa Y Zr S\n1 1 1 4\ndirect\n0.000000 0.500000 0.500000 Na\n0.500001 0.500000 -0.000000 Y\n0.000000 0.000000 0.000000 Zr\n0.500001 0.776216 0.224873 S\n0.000000 0.243469 0.223853 S\n0.500001 0.223785 0.775127 S\n0.000000 0.756532 0.776146 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Na",
"Y",
"Zr",
"S"
],
"chemical_system": "Na-S-Y-Zr",
"density": 3.3059503059858732,
"density_atomic": 0.04205517737283961,
"volume": 166.4479961157123,
"volume_molar": 14.31961802612504,
"formula_full": "Na1 Y1 Zr1 S4",
"formula_reduced": "NaYZrS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0351384214285715,
"spacegroup": 10
},
{
"id": "jvasp-34372",
"created_at": "2022-09-04T14:37:14.554944Z",
"updated_at": "2022-09-04T14:37:14.554969Z",
"structure_string": "Na6 Ni2 F12\n1.0\n0.000000 5.425831 0.016426\n5.717163 0.000000 0.000000\n0.000000 -5.358572 -7.842596\nNa Ni F\n6 2 12\ndirect\n0.726277 0.564645 0.746550 Na\n0.273724 0.064645 0.753450 Na\n0.273723 0.435355 0.253450 Na\n0.726276 0.935355 0.246550 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.893048 0.552073 0.275027 F\n0.106952 0.052073 0.224973 F\n0.333558 0.175829 0.051858 F\n0.666442 0.675829 0.448142 F\n0.666442 0.824170 0.948142 F\n0.240111 0.721276 0.071201 F\n0.759890 0.278723 0.928799 F\n0.240111 0.778723 0.571201 F\n0.893049 0.947927 0.775027 F\n0.759889 0.221276 0.428799 F\n0.333559 0.324170 0.551858 F\n0.106952 0.447927 0.724974 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Ni",
"F"
],
"chemical_system": "F-Na-Ni",
"density": 3.3057050330229867,
"density_atomic": 0.08238015071697892,
"volume": 242.77692898027084,
"volume_molar": 7.310184197998572,
"formula_full": "Na6 Ni2 F12",
"formula_reduced": "Na3NiF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-49776",
"created_at": "2022-09-04T14:35:49.566560Z",
"updated_at": "2022-09-04T14:35:49.566573Z",
"structure_string": "Na6 Cu2 O4\n1.0\n-5.298335 0.000125 -0.003956\n-0.000172 -5.943557 -0.002165\n2.645408 2.969214 5.251532\nNa Cu O\n6 2 4\ndirect\n0.764659 0.512354 0.524684 Na\n0.502801 0.250449 0.000925 Na\n0.502739 0.750448 0.000926 Na\n0.764725 0.012347 0.524682 Na\n0.240892 0.488501 0.477143 Na\n0.240965 0.988501 0.477174 Na\n0.002776 0.000425 0.000925 Cu\n0.002781 0.500444 0.000917 Cu\n0.875661 0.626848 0.253727 O\n0.382712 0.126839 0.253731 O\n0.622854 0.874037 0.748116 O\n0.129906 0.374043 0.748116 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 3.305698471834239,
"density_atomic": 0.07260428339827266,
"volume": 165.27950471150157,
"volume_molar": 8.294470350964547,
"formula_full": "Na6 Cu2 O4",
"formula_reduced": "Na3CuO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.2073585833333335,
"spacegroup": 72
},
{
"id": "jvasp-105674",
"created_at": "2022-09-04T14:35:54.765516Z",
"updated_at": "2022-09-04T14:35:54.765542Z",
"structure_string": "Na2 Li1 Y1 Br6\n1.0\n6.593707 -0.000000 3.806879\n2.197902 6.216607 3.806879\n0.000000 -0.000000 7.613757\nNa Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.744503 0.255498 0.255498 Br\n0.255497 0.255498 0.744503 Br\n0.255497 0.744503 0.744503 Br\n0.255497 0.744503 0.255498 Br\n0.744503 0.255498 0.744503 Br\n0.744503 0.744503 0.255498 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Y",
"Br"
],
"chemical_system": "Br-Li-Na-Y",
"density": 3.3054736626405217,
"density_atomic": 0.03204187562427667,
"volume": 312.0915928037451,
"volume_molar": 18.79459501876756,
"formula_full": "Na2 Li1 Y1 Br6",
"formula_reduced": "Na2LiYBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.038227808,
"spacegroup": 225
},
{
"id": "jvasp-92586",
"created_at": "2022-09-04T14:36:22.380398Z",
"updated_at": "2022-09-04T14:36:22.380424Z",
"structure_string": "Mn1 Cl2 O2\n1.0\n-0.229038 0.000000 -3.382350\n-3.358641 -3.473294 0.243274\n-3.358641 3.473294 0.243274\nMn Cl O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.502118 0.239660 0.239660 Cl\n0.497885 0.760340 0.760340 Cl\n0.000001 0.763185 0.236815 O\n0.000001 0.236815 0.763185 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O",
"density": 3.305182200110899,
"density_atomic": 0.0630509176814217,
"volume": 79.3009869461944,
"volume_molar": 9.551234115938104,
"formula_full": "Mn1 Cl2 O2",
"formula_reduced": "Mn(ClO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8501604752758616,
"spacegroup": 65
},
{
"id": "jvasp-48321",
"created_at": "2022-09-04T14:35:51.849318Z",
"updated_at": "2022-09-04T14:35:51.849336Z",
"structure_string": "Li1 V3 O8\n1.0\n2.810988 4.205514 0.089597\n-2.810988 4.205514 0.089597\n0.000000 0.062606 6.116096\nLi V O\n1 3 8\ndirect\n-0.018207 0.018207 -0.000000 Li\n0.361106 0.353547 0.745526 V\n0.646453 0.638894 0.254476 V\n0.017105 -0.017104 0.500000 V\n0.212131 0.744550 0.720422 O\n0.255450 0.787869 0.279579 O\n0.262599 0.255366 -0.020125 O\n0.744633 0.737400 0.020126 O\n0.777800 0.785744 0.460042 O\n0.214255 0.222200 0.539960 O\n0.736404 0.209741 0.723032 O\n0.790258 0.263596 0.276970 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.3051634089302193,
"density_atomic": 0.08300296443645434,
"volume": 144.5731496636725,
"volume_molar": 7.25533214492652,
"formula_full": "Li1 V3 O8",
"formula_reduced": "LiV3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.1613975500000007,
"spacegroup": 5
},
{
"id": "jvasp-50400",
"created_at": "2022-09-04T14:38:08.231500Z",
"updated_at": "2022-09-04T14:38:08.231518Z",
"structure_string": "Rb4 H4 O4\n1.0\n4.005124 -0.000000 0.000000\n-0.000000 6.484173 0.000000\n0.000000 0.000000 7.930076\nRb H O\n4 4 4\ndirect\n0.250000 0.992186 0.808226 Rb\n0.749999 0.507813 0.308225 Rb\n0.250000 0.492186 0.691775 Rb\n0.749999 0.007814 0.191775 Rb\n0.749999 0.066208 0.544403 H\n0.250000 0.433792 0.044402 H\n0.749999 0.566208 0.955598 H\n0.250000 0.933792 0.455598 H\n0.250000 0.790567 0.417556 O\n0.749999 0.709432 0.917556 O\n0.250000 0.290568 0.082445 O\n0.749999 0.209432 0.582445 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"H",
"O"
],
"chemical_system": "H-O-Rb",
"density": 3.3050626752356065,
"density_atomic": 0.058268432688462476,
"volume": 205.94341475012897,
"volume_molar": 10.335168601836141,
"formula_full": "Rb4 H4 O4",
"formula_reduced": "RbHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7468778333333337,
"spacegroup": 62
},
{
"id": "jvasp-110660",
"created_at": "2022-09-04T14:38:36.529598Z",
"updated_at": "2022-09-04T14:38:36.529632Z",
"structure_string": "K2 Na1 Nd1 Br6\n1.0\n6.941896 -0.000000 4.007905\n2.313965 6.544882 4.007905\n-0.000000 -0.000000 8.015811\nK Na Nd Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.748127 0.251873 0.251874 Br\n0.251874 0.251873 0.748127 Br\n0.251874 0.748126 0.748127 Br\n0.251874 0.748126 0.251874 Br\n0.748127 0.251873 0.748127 Br\n0.748128 0.748126 0.251874 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Nd",
"Br"
],
"chemical_system": "Br-K-Na-Nd",
"density": 3.3049985073324493,
"density_atomic": 0.02745823435659587,
"volume": 364.189476647753,
"volume_molar": 21.932002916835017,
"formula_full": "K2 Na1 Nd1 Br6",
"formula_reduced": "K2NaNdBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57518",
"created_at": "2022-09-04T14:37:28.803373Z",
"updated_at": "2022-09-04T14:37:28.803389Z",
"structure_string": "Sr2 Ca2 C4 O12\n1.0\n5.290251 0.000000 0.000000\n0.000000 6.432407 0.000000\n0.000000 0.000000 7.315047\nSr Ca C O\n2 2 4 12\ndirect\n0.000000 0.112407 0.255679 Sr\n0.000000 0.887594 0.755680 Sr\n0.500000 0.482120 0.549420 Ca\n0.500000 0.517880 0.049420 Ca\n0.500000 0.962269 0.076696 C\n0.500000 0.037731 0.576696 C\n0.000000 0.587619 0.338053 C\n0.000000 0.412381 0.838053 C\n0.000000 0.241114 0.924481 O\n0.210757 0.506912 0.795769 O\n0.500000 0.151979 0.134371 O\n0.711475 0.137319 0.551882 O\n0.711475 0.862681 0.051882 O\n0.288524 0.862681 0.051882 O\n0.210757 0.493088 0.295768 O\n0.789242 0.506912 0.795769 O\n0.500000 0.848021 0.634371 O\n0.789242 0.493088 0.295768 O\n0.000000 0.758886 0.424480 O\n0.288524 0.137319 0.551882 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"C",
"O"
],
"chemical_system": "C-Ca-O-Sr",
"density": 3.304957555880137,
"density_atomic": 0.0803457817959685,
"volume": 248.92408229704395,
"volume_molar": 7.495279310733113,
"formula_full": "Sr2 Ca2 C4 O12",
"formula_reduced": "SrCa(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.816367773,
"spacegroup": 26
}
]
}