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=volume_molar&page=1088",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1086",
"results": [
{
"id": "jvasp-8187",
"created_at": "2022-09-04T14:37:17.618677Z",
"updated_at": "2022-09-04T14:37:17.618702Z",
"structure_string": "Ta1 Cu1 N2\n1.0\n3.051404 0.001740 5.323165\n1.418849 2.701470 5.323165\n0.002876 0.001740 6.135727\nTa Cu N\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ta\n0.000000 0.000000 0.000000 Cu\n0.893988 0.893988 0.893987 N\n0.106012 0.106012 0.106012 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"N"
],
"chemical_system": "Cu-N-Ta",
"density": 8.959351048855597,
"density_atomic": 0.07919711084871942,
"volume": 50.50689295523308,
"volume_molar": 7.603990468166649,
"formula_full": "Ta1 Cu1 N2",
"formula_reduced": "TaCuN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9738665374999993,
"spacegroup": 166
},
{
"id": "jvasp-49902",
"created_at": "2022-09-04T14:36:49.699406Z",
"updated_at": "2022-09-04T14:36:49.699417Z",
"structure_string": "Li2 Ti3 Bi1 O8\n1.0\n-2.988620 1.725480 4.880396\n-0.000000 3.450961 -4.880396\n-3.668794 -2.118179 -5.158076\nLi Ti Bi O\n2 3 1 8\ndirect\n0.908550 0.091449 0.725652 Li\n0.091449 0.908551 0.274347 Li\n0.500000 0.500000 0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.499999 0.500000 0.500000 Bi\n0.756844 0.711057 0.802631 O\n0.756844 0.243155 0.802630 O\n0.273479 0.726520 0.820441 O\n0.288942 0.243155 0.802631 O\n0.711057 0.756844 0.197369 O\n0.726519 0.273480 0.179558 O\n0.243155 0.756845 0.197369 O\n0.243155 0.288943 0.197369 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Ti",
"density": 4.6446149274055655,
"density_atomic": 0.07919517393346848,
"volume": 176.7784487948892,
"volume_molar": 7.604176442694822,
"formula_full": "Li2 Ti3 Bi1 O8",
"formula_reduced": "Li2Ti3BiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.728334807142857,
"spacegroup": 166
},
{
"id": "jvasp-48948",
"created_at": "2022-09-04T14:36:05.533471Z",
"updated_at": "2022-09-04T14:36:05.533485Z",
"structure_string": "Li3 Mn1 F7\n1.0\n5.612233 0.000000 -0.294845\n0.000000 6.029206 -0.000000\n-3.014603 -3.014603 4.263293\nLi Mn F\n3 1 7\ndirect\n0.655038 0.378098 0.756195 Li\n0.655038 0.378098 0.276940 Li\n0.655038 0.898844 0.276940 Li\n0.993133 0.997712 0.995423 Mn\n0.221905 0.216541 0.433082 F\n0.221904 0.216541 0.005364 F\n0.221904 0.788824 0.005364 F\n0.764839 0.254946 0.509893 F\n0.747275 0.768075 0.536150 F\n0.747275 0.211127 0.979200 F\n0.747275 0.768075 0.979200 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.495600503817493,
"density_atomic": 0.0791940300504376,
"volume": 138.89935886574088,
"volume_molar": 7.604286277847686,
"formula_full": "Li3 Mn1 F7",
"formula_reduced": "Li3MnF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.3276372017163008,
"spacegroup": 160
},
{
"id": "jvasp-96939",
"created_at": "2022-09-04T14:36:10.599830Z",
"updated_at": "2022-09-04T14:36:10.599857Z",
"structure_string": "C8 S4 O16 F16\n1.0\n6.195741 0.000000 0.000000\n0.000000 8.295944 -2.430621\n0.000000 -0.253013 10.883931\nC S O F\n8 4 16 16\ndirect\n0.633655 0.749035 0.161039 C\n0.715110 0.662020 0.562429 C\n0.366344 0.250965 0.838961 C\n0.784890 0.162020 0.562429 C\n0.866344 0.249035 0.161039 C\n0.284890 0.337980 0.437571 C\n0.133656 0.750965 0.838961 C\n0.215110 0.837980 0.437571 C\n0.118119 0.171764 0.218332 S\n0.881880 0.828236 0.781668 S\n0.381880 0.671763 0.218332 S\n0.618119 0.328237 0.781668 S\n0.208711 0.672989 0.133193 O\n0.416242 0.236619 0.436521 O\n0.562434 0.465761 0.742327 O\n0.132997 0.335633 0.347439 O\n0.583758 0.763381 0.563479 O\n0.708711 0.827011 0.866807 O\n0.083758 0.736619 0.436521 O\n0.867003 0.664367 0.652561 O\n0.291288 0.172989 0.133193 O\n0.437566 0.534239 0.257673 O\n0.632997 0.164367 0.652561 O\n0.062434 0.034239 0.257673 O\n0.916242 0.263381 0.563479 O\n0.367003 0.835633 0.347439 O\n0.937566 0.965761 0.742327 O\n0.791288 0.327011 0.866807 O\n0.709174 0.255897 0.246281 F\n0.316082 0.358989 0.953074 F\n0.098533 0.604583 0.853209 F\n0.209174 0.244103 0.753719 F\n0.401467 0.104583 0.853209 F\n0.790826 0.755897 0.246281 F\n0.683917 0.641011 0.046926 F\n0.264728 0.479369 0.530603 F\n0.183917 0.858989 0.953074 F\n0.901467 0.395417 0.146791 F\n0.235272 0.979368 0.530603 F\n0.764728 0.020631 0.469397 F\n0.816082 0.141011 0.046926 F\n0.290826 0.744103 0.753719 F\n0.735271 0.520631 0.469397 F\n0.598533 0.895417 0.146791 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-O-S",
"density": 2.3440147273431795,
"density_atomic": 0.07919101563081155,
"volume": 555.6185843748736,
"volume_molar": 7.604575736312331,
"formula_full": "C8 S4 O16 F16",
"formula_reduced": "C2S(OF)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 2.4131386481818176,
"spacegroup": 14
},
{
"id": "jvasp-52321",
"created_at": "2022-09-04T14:37:06.437294Z",
"updated_at": "2022-09-04T14:37:06.437314Z",
"structure_string": "Nb3 O7 F1\n1.0\n3.272809 5.435170 0.000000\n-3.272809 5.435170 0.000000\n0.000000 0.000000 3.904398\nNb O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.302030 0.302030 0.000000 Nb\n0.697970 0.697970 0.000000 Nb\n0.045275 0.662196 0.000000 O\n0.337804 0.954725 0.000000 O\n0.000000 0.000000 0.500000 O\n0.314282 0.314282 0.500000 O\n0.685718 0.685718 0.500000 O\n0.954725 0.337804 0.000000 O\n0.662196 0.045275 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 4.897916025705501,
"density_atomic": 0.07919081538571826,
"volume": 138.90499733361509,
"volume_molar": 7.604594965549589,
"formula_full": "Nb3 O7 F1",
"formula_reduced": "Nb3O7F",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.4013957256818177,
"spacegroup": 65
},
{
"id": "jvasp-102648",
"created_at": "2022-09-04T14:37:07.289646Z",
"updated_at": "2022-09-04T14:37:07.289666Z",
"structure_string": "Zr2 C1 N1\n1.0\n3.153401 0.000632 4.755564\n1.433915 2.808527 4.755564\n0.001032 0.000632 5.706078\nZr C N\n2 1 1\ndirect\n0.250822 0.250822 0.250822 Zr\n0.749179 0.749178 0.749177 Zr\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.499999 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"C",
"N"
],
"chemical_system": "C-N-Zr",
"density": 6.85322358828999,
"density_atomic": 0.0791902677810265,
"volume": 50.51125740678926,
"volume_molar": 7.604647551706939,
"formula_full": "Zr2 C1 N1",
"formula_reduced": "Zr2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.566625562499999,
"spacegroup": 166
},
{
"id": "jvasp-36377",
"created_at": "2022-09-04T14:37:19.265500Z",
"updated_at": "2022-09-04T14:37:19.265518Z",
"structure_string": "Re1 C1\n1.0\n2.328698 2.328698 0.000000\n2.328698 0.000000 -2.328698\n0.000000 2.328698 -2.328698\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.750001 0.750001 0.750001 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 13.032328658479377,
"density_atomic": 0.07918820331288949,
"volume": 25.256287127737615,
"volume_molar": 7.6048458079106,
"formula_full": "Re1 C1",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy_above_hull": 4.667753999999999,
"spacegroup": 216
},
{
"id": "jvasp-101636",
"created_at": "2022-09-04T14:36:41.985554Z",
"updated_at": "2022-09-04T14:36:41.985580Z",
"structure_string": "Hf2 Ni7\n1.0\n4.649563 -0.000951 0.649172\n-2.511188 3.913102 0.649172\n0.004302 0.007870 6.250159\nHf Ni\n2 7\ndirect\n0.108478 0.108478 0.227857 Hf\n0.891521 0.891522 0.772143 Hf\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.467184 0.794575 0.154566 Ni\n0.532814 0.205425 0.845434 Ni\n0.205424 0.532815 0.845434 Ni\n0.794575 0.467185 0.154566 Ni\n0.499999 0.500000 0.500000 Ni\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Hf",
"Ni"
],
"chemical_system": "Hf-Ni",
"density": 11.218388791611565,
"density_atomic": 0.07918750748424229,
"volume": 113.65429075780585,
"volume_molar": 7.604912632460821,
"formula_full": "Hf2 Ni7",
"formula_reduced": "Hf2Ni7",
"formula_anonymous": "A2B7",
"energy_above_hull": 2.3401214222222224,
"spacegroup": 12
},
{
"id": "jvasp-41295",
"created_at": "2022-09-04T14:37:37.261062Z",
"updated_at": "2022-09-04T14:37:37.261083Z",
"structure_string": "Ti1 Zn1 Ni2\n1.0\n0.000000 2.933991 2.933991\n2.933991 0.000000 2.933991\n2.933991 2.933991 -0.000000\nTi Zn Ni\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Ni"
],
"chemical_system": "Ni-Ti-Zn",
"density": 7.582638112979412,
"density_atomic": 0.07918695873679363,
"volume": 50.513368158201914,
"volume_molar": 7.604965332759847,
"formula_full": "Ti1 Zn1 Ni2",
"formula_reduced": "TiZnNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9741283833333334,
"spacegroup": 225
},
{
"id": "jvasp-74634",
"created_at": "2022-09-04T14:36:07.695067Z",
"updated_at": "2022-09-04T14:36:07.695091Z",
"structure_string": "Be2 W1 Se1\n1.0\n-1.732918 1.732918 4.205300\n1.732918 -1.732918 4.205300\n1.732918 1.732918 -4.205300\nBe W Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 W\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"W",
"Se"
],
"chemical_system": "Be-Se-W",
"density": 9.231470396478098,
"density_atomic": 0.07918574211541837,
"volume": 50.51414425301135,
"volume_molar": 7.605082176564486,
"formula_full": "Be2 W1 Se1",
"formula_reduced": "Be2WSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.338258891666667,
"spacegroup": 119
},
{
"id": "jvasp-47331",
"created_at": "2022-09-04T14:38:07.972007Z",
"updated_at": "2022-09-04T14:38:07.972017Z",
"structure_string": "Li3 V1 F8\n1.0\n5.187904 -0.132877 0.000000\n-2.033686 4.774529 0.000000\n0.000000 0.000000 6.185705\nLi V F\n3 1 8\ndirect\n-0.000000 0.500000 0.165008 Li\n0.499999 0.500000 0.000000 Li\n0.499999 -0.000000 0.834991 Li\n0.499999 0.500000 0.500000 V\n0.293591 0.706408 0.500000 F\n0.295725 0.704274 0.000000 F\n0.288757 0.259108 0.709343 F\n0.259108 0.288757 0.290656 F\n0.740890 0.711242 0.290656 F\n0.711241 0.740891 0.709343 F\n0.704273 0.295726 0.000000 F\n0.706407 0.293591 0.500000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.451703007601774,
"density_atomic": 0.07918330325634207,
"volume": 151.54710029148572,
"volume_molar": 7.605316414376366,
"formula_full": "Li3 V1 F8",
"formula_reduced": "Li3VF8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.2931455383333333,
"spacegroup": 21
},
{
"id": "jvasp-36870",
"created_at": "2022-09-04T14:38:16.311016Z",
"updated_at": "2022-09-04T14:38:16.311030Z",
"structure_string": "H12 C2 I2 N2\n1.0\n0.000000 5.013888 0.161707\n5.116281 0.000000 0.000000\n0.000000 -0.305702 -8.871762\nH C I N\n12 2 2 2\ndirect\n0.896097 0.250000 0.842252 H\n0.183761 0.925566 0.412581 H\n0.495216 0.750000 0.427007 H\n0.183761 0.574433 0.412581 H\n0.396745 0.585755 0.174706 H\n0.103904 0.750000 0.157747 H\n0.396745 0.914245 0.174706 H\n0.504785 0.250000 0.572992 H\n0.816240 0.425566 0.587418 H\n0.603256 0.085755 0.825294 H\n0.603256 0.414245 0.825294 H\n0.816240 0.074434 0.587418 H\n0.711095 0.250000 0.621982 C\n0.288906 0.750000 0.378017 C\n0.775794 0.250000 0.191061 I\n0.224207 0.750000 0.808939 I\n0.705947 0.250000 0.789291 N\n0.294054 0.750000 0.210708 N\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N",
"density": 2.322399561943684,
"density_atomic": 0.07918018594281609,
"volume": 227.32960002139419,
"volume_molar": 7.605615834685194,
"formula_full": "H12 C2 I2 N2",
"formula_reduced": "H6CIN",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.426681058333334,
"spacegroup": 11
}
]
}