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=3529",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3527",
"results": [
{
"id": "jvasp-10755",
"created_at": "2022-09-04T14:37:10.510781Z",
"updated_at": "2022-09-04T14:37:10.510816Z",
"structure_string": "Ca1 Cr4 O8\n1.0\n5.151608 -0.020324 3.915965\n1.930797 4.776138 3.915965\n-0.030266 -0.020324 6.470930\nCa Cr O\n1 4 8\ndirect\n0.500000 0.500002 0.499999 Ca\n0.500001 1.000000 0.500001 Cr\n0.999999 0.500002 0.500001 Cr\n0.500000 0.500001 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.767626 0.276606 0.767627 O\n0.232371 0.232374 0.723395 O\n0.232372 0.723397 0.232372 O\n0.723394 0.232374 0.232373 O\n0.275142 0.275143 0.275142 O\n0.724858 0.724860 0.724859 O\n0.276605 0.767629 0.767627 O\n0.767628 0.767629 0.276605 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 3.895691044077224,
"density_atomic": 0.081100660598045,
"volume": 160.29462527353786,
"volume_molar": 7.425513818989989,
"formula_full": "Ca1 Cr4 O8",
"formula_reduced": "CaCr4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.417419847692308,
"spacegroup": 166
},
{
"id": "jvasp-36510",
"created_at": "2022-09-04T14:37:31.950499Z",
"updated_at": "2022-09-04T14:37:31.950509Z",
"structure_string": "Ca3 Bi1 Sb1\n1.0\n5.771394 0.000000 0.000000\n0.000000 5.771394 0.000000\n0.000000 0.000000 5.771394\nCa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"Sb"
],
"chemical_system": "Bi-Ca-Sb",
"density": 3.895460599307532,
"density_atomic": 0.02600925026140159,
"volume": 192.239297547924,
"volume_molar": 23.153842188742427,
"formula_full": "Ca3 Bi1 Sb1",
"formula_reduced": "Ca3BiSb",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1227583319999999,
"spacegroup": 221
},
{
"id": "jvasp-31081",
"created_at": "2022-09-04T14:38:33.262503Z",
"updated_at": "2022-09-04T14:38:33.262528Z",
"structure_string": "Li12 Nb4 O16\n1.0\n6.909948 -0.000000 -2.443036\n-3.454974 5.984191 -2.443036\n0.000000 0.000000 7.329106\nLi Nb O\n12 4 16\ndirect\n0.515191 0.273988 0.999989 Li\n0.274000 0.515203 0.000011 Li\n0.726001 0.726012 0.241203 Li\n0.484797 0.758796 0.484809 Li\n0.484809 0.484796 0.758796 Li\n0.726012 0.241204 0.726000 Li\n0.000012 0.274000 0.515204 Li\n0.273989 0.999988 0.515191 Li\n0.241204 0.726000 0.726012 Li\n0.515204 0.000012 0.274000 Li\n0.999989 0.515191 0.273988 Li\n0.758797 0.484809 0.484796 Li\n0.282093 0.282093 0.282093 Nb\n-0.000000 -0.000000 0.717908 Nb\n0.000000 0.717907 -0.000000 Nb\n0.717908 0.000000 -0.000000 Nb\n-0.000003 0.757671 0.511585 O\n0.488412 0.488415 0.246085 O\n0.488415 0.246086 0.488412 O\n0.242326 0.753914 0.242329 O\n0.511589 0.757674 0.000003 O\n0.511585 -0.000003 0.757671 O\n0.242329 0.242326 0.753915 O\n0.757674 0.000003 0.511588 O\n0.246086 0.488412 0.488415 O\n0.228589 0.000000 -0.000000 O\n-0.000000 -0.000000 0.228589 O\n0.000000 0.228589 -0.000000 O\n0.771412 0.771411 0.771411 O\n0.000003 0.511588 0.757674 O\n0.757671 0.511585 -0.000004 O\n0.753915 0.242329 0.242326 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 3.895213093322775,
"density_atomic": 0.10558901770025546,
"volume": 303.0618211719814,
"volume_molar": 5.703377956498813,
"formula_full": "Li12 Nb4 O16",
"formula_reduced": "Li3NbO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.184437925,
"spacegroup": 217
},
{
"id": "jvasp-55500",
"created_at": "2022-09-04T14:38:08.562583Z",
"updated_at": "2022-09-04T14:38:08.562610Z",
"structure_string": "V4 Cr4 O16\n1.0\n6.448834 0.004221 1.490752\n0.351846 6.439230 1.490752\n0.005344 0.005063 6.858025\nV Cr O\n4 4 16\ndirect\n0.250946 0.749054 0.000001 V\n0.749054 0.250947 -0.000000 V\n0.273429 0.273429 0.602131 V\n0.726570 0.726570 0.397868 V\n0.180334 0.819666 0.499999 Cr\n0.797434 0.797434 0.857103 Cr\n0.202567 0.202566 0.142896 Cr\n0.819665 0.180333 0.500000 Cr\n0.502317 0.793817 0.888164 O\n0.497684 0.206182 0.111834 O\n0.206183 0.497684 0.111834 O\n0.793817 0.502316 0.888165 O\n0.203050 0.528399 0.527380 O\n0.138872 0.138872 0.458241 O\n0.861127 0.861128 0.541757 O\n0.802402 0.107229 0.796763 O\n0.892771 0.197596 0.203236 O\n0.197597 0.892769 0.203236 O\n0.107230 0.802404 0.796763 O\n0.528400 0.203049 0.527381 O\n0.796951 0.471600 0.472618 O\n0.471598 0.796950 0.472619 O\n0.205755 0.205754 0.864738 O\n0.794246 0.794245 0.135261 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 3.894993445054887,
"density_atomic": 0.08430648105433898,
"volume": 284.6756227973863,
"volume_molar": 7.143152797610521,
"formula_full": "V4 Cr4 O16",
"formula_reduced": "VCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.084555933333333,
"spacegroup": 12
},
{
"id": "jvasp-107780",
"created_at": "2022-09-04T14:38:14.529326Z",
"updated_at": "2022-09-04T14:38:14.529350Z",
"structure_string": "Li2 Cu1 O2\n1.0\n3.413523 -0.017908 0.728789\n2.236942 2.578479 0.728789\n-0.017502 -0.007931 5.271903\nLi Cu O\n2 1 2\ndirect\n0.827719 0.827720 0.645148 Li\n0.172280 0.172280 0.354852 Li\n0.499999 0.500000 0.000000 Cu\n0.892742 0.892742 0.258517 O\n0.107257 0.107257 0.741483 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 3.8948888871181544,
"density_atomic": 0.10717470094570535,
"volume": 46.65280104241203,
"volume_molar": 5.6189946945136,
"formula_full": "Li2 Cu1 O2",
"formula_reduced": "Li2CuO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9219674899999998,
"spacegroup": 12
},
{
"id": "jvasp-11735",
"created_at": "2022-09-04T14:38:10.920889Z",
"updated_at": "2022-09-04T14:38:10.920916Z",
"structure_string": "Li4 Mn2 O6\n1.0\n4.864806 -0.000967 -0.820750\n-2.633774 4.090180 -0.820750\n-0.001993 -0.003654 5.008280\nLi Mn O\n4 2 6\ndirect\n0.338807 0.661194 0.500000 Li\n0.661195 0.338806 0.500000 Li\n0.500001 0.500000 0.000000 Li\n0.000001 0.000001 0.500000 Li\n0.167141 0.832860 0.000000 Mn\n0.832861 0.167139 0.000000 Mn\n0.068447 0.424262 0.774718 O\n0.575740 0.931554 0.225282 O\n0.779193 0.779192 0.771350 O\n0.220809 0.220809 0.228651 O\n0.424262 0.068446 0.774718 O\n0.931555 0.575739 0.225282 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8947180010720968,
"density_atomic": 0.1204668330588294,
"volume": 99.61248001049266,
"volume_molar": 4.999003133965609,
"formula_full": "Li4 Mn2 O6",
"formula_reduced": "Li2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0130546235632187,
"spacegroup": 12
},
{
"id": "jvasp-52462",
"created_at": "2022-09-04T14:37:44.044014Z",
"updated_at": "2022-09-04T14:37:44.044038Z",
"structure_string": "Ba4 Sr2 I12\n1.0\n7.879753 -0.000000 0.000000\n0.000000 7.879753 0.000000\n0.000000 0.000000 15.432568\nBa Sr I\n4 2 12\ndirect\n0.000000 0.000000 0.000882 Ba\n0.000000 0.000000 0.334112 Ba\n0.500000 0.500000 0.500882 Ba\n0.500000 0.500000 0.834112 Ba\n0.000000 0.000000 0.667490 Sr\n0.500000 0.500000 0.167490 Sr\n0.806347 0.193653 0.508042 I\n0.693653 0.693653 0.008042 I\n0.693648 0.693648 0.326935 I\n0.706006 0.706006 0.667504 I\n0.293994 0.293994 0.667504 I\n0.193653 0.806347 0.508042 I\n0.306347 0.306347 0.008042 I\n0.806351 0.193648 0.826935 I\n0.193648 0.806351 0.826935 I\n0.206006 0.793994 0.167504 I\n0.306352 0.306352 0.326935 I\n0.793994 0.206006 0.167504 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 3.8946315990619818,
"density_atomic": 0.01878490907873531,
"volume": 958.2159766946206,
"volume_molar": 32.05839716742159,
"formula_full": "Ba4 Sr2 I12",
"formula_reduced": "Ba2SrI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0106266666666666,
"spacegroup": 136
},
{
"id": "jvasp-115510",
"created_at": "2022-09-04T14:38:46.047586Z",
"updated_at": "2022-09-04T14:38:46.047612Z",
"structure_string": "Sc1 B1 O2\n1.0\n1.342169 0.774902 5.996566\n-1.342169 0.774902 5.996566\n-0.000000 -1.549803 5.996566\nSc B O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.499999 B\n0.118297 0.118297 0.118296 O\n0.881705 0.881705 0.881701 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"B",
"O"
],
"chemical_system": "B-O-Sc",
"density": 3.894630949678505,
"density_atomic": 0.10689375274627358,
"volume": 37.42033465224603,
"volume_molar": 5.633763064053281,
"formula_full": "Sc1 B1 O2",
"formula_reduced": "ScBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.662103708333333,
"spacegroup": 166
},
{
"id": "jvasp-121282",
"created_at": "2022-09-04T14:38:55.519914Z",
"updated_at": "2022-09-04T14:38:55.519931Z",
"structure_string": "As1 Br2\n1.0\n3.940117 0.000000 0.000000\n0.000000 3.443482 0.000000\n0.000000 0.000000 7.376445\nAs Br\n1 2\ndirect\n0.393863 0.000000 0.000000 As\n0.003069 0.000000 0.743738 Br\n0.003069 0.000000 0.256262 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"As",
"Br"
],
"chemical_system": "As-Br",
"density": 3.894600472608166,
"density_atomic": 0.029975553476997416,
"volume": 100.08155486777365,
"volume_molar": 20.090173696446534,
"formula_full": "As1 Br2",
"formula_reduced": "AsBr2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 25
},
{
"id": "jvasp-50017",
"created_at": "2022-09-04T14:37:08.177967Z",
"updated_at": "2022-09-04T14:37:08.177987Z",
"structure_string": "Ti6 N4 O6\n1.0\n-0.000000 3.766254 0.000000\n-4.959501 1.883127 0.000000\n0.000000 -0.000000 10.026242\nTi N O\n6 4 6\ndirect\n0.133466 0.733068 0.941409 Ti\n0.134918 0.730165 0.550857 Ti\n0.195371 0.609260 0.245988 Ti\n0.804629 0.390740 0.745988 Ti\n0.865082 0.269835 0.050857 Ti\n0.866534 0.266931 0.441409 Ti\n0.046724 0.906554 0.382246 N\n0.696652 0.606693 0.576407 N\n0.303348 0.393307 0.076407 N\n0.953276 0.093445 0.882246 N\n0.045163 0.909676 0.119684 O\n0.685320 0.629360 0.922727 O\n0.754443 0.491114 0.260681 O\n0.245557 0.508886 0.760681 O\n0.314680 0.370640 0.422727 O\n0.954836 0.090324 0.619684 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Ti",
"density": 3.894489845618489,
"density_atomic": 0.08543468287998093,
"volume": 187.27757230019662,
"volume_molar": 7.048824384892882,
"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.9159865,
"spacegroup": 36
},
{
"id": "jvasp-9674",
"created_at": "2022-09-04T14:38:12.618111Z",
"updated_at": "2022-09-04T14:38:12.618121Z",
"structure_string": "K3 Ta1 O8\n1.0\n5.687540 0.056424 -2.481197\n-3.264635 5.128889 -1.242698\n0.035914 -0.056424 6.205092\nK Ta O\n3 1 8\ndirect\n0.500000 0.250000 0.749999 K\n0.500000 0.750000 0.250000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ta\n0.281574 0.332721 0.332721 O\n0.000000 0.667280 0.948852 O\n0.000001 0.948853 0.667279 O\n0.718426 0.051147 0.051147 O\n0.428787 0.233756 0.233755 O\n0.000001 0.766245 0.195031 O\n-0.000000 0.195032 0.766244 O\n0.571213 0.804969 0.804968 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Ta",
"O"
],
"chemical_system": "K-O-Ta",
"density": 3.894299775768199,
"density_atomic": 0.06602514797789831,
"volume": 181.7489300291604,
"volume_molar": 9.120980330124958,
"formula_full": "K3 Ta1 O8",
"formula_reduced": "K3TaO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.2265026000000003,
"spacegroup": 121
},
{
"id": "jvasp-93884",
"created_at": "2022-09-04T14:35:43.968489Z",
"updated_at": "2022-09-04T14:35:43.968510Z",
"structure_string": "Li2 Fe2 P2\n1.0\n-3.669954 0.000000 -0.000000\n0.000000 -0.000000 -3.734104\n1.834977 -5.834998 0.000000\nLi Fe P\n2 2 2\ndirect\n0.085690 0.749999 0.171379 Li\n0.914308 0.250000 0.828621 Li\n0.750743 0.749999 0.501490 Fe\n0.249255 0.250000 0.498511 Fe\n0.354767 0.749999 0.709536 P\n0.645231 0.250000 0.290465 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Fe",
"P"
],
"chemical_system": "Fe-Li-P",
"density": 3.8941067040680455,
"density_atomic": 0.07503493464860188,
"volume": 79.96275372396553,
"volume_molar": 8.025782641382245,
"formula_full": "Li2 Fe2 P2",
"formula_reduced": "LiFeP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9000736666666669,
"spacegroup": 63
}
]
}