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=1240",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1238",
"results": [
{
"id": "jvasp-20794",
"created_at": "2022-09-04T14:38:34.229210Z",
"updated_at": "2022-09-04T14:38:34.229233Z",
"structure_string": "Mg8 Ni16\n1.0\n2.402229 -4.160784 0.000000\n2.402229 4.160784 -0.000000\n0.000000 0.000000 15.769599\nMg Ni\n8 16\ndirect\n0.000000 0.000000 0.906869 Mg\n0.000000 0.000000 0.406869 Mg\n0.000000 0.000000 0.093131 Mg\n0.000000 0.000000 0.593131 Mg\n0.333333 0.666667 0.155889 Mg\n0.666667 0.333333 0.655889 Mg\n0.666667 0.333333 0.844111 Mg\n0.333333 0.666667 0.344111 Mg\n0.666667 0.333333 0.374835 Ni\n0.333333 0.666667 0.874836 Ni\n0.835829 0.671659 0.250000 Ni\n0.671659 0.835829 0.750000 Ni\n0.164171 0.835829 0.750000 Ni\n0.835829 0.164171 0.250000 Ni\n0.328342 0.164171 0.250000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.666667 0.333333 0.125165 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.164171 0.328342 0.750000 Ni\n0.333333 0.666667 0.625165 Ni\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 5.970952001694876,
"density_atomic": 0.07613266280300607,
"volume": 315.23920373178345,
"volume_molar": 7.9100619080963215,
"formula_full": "Mg8 Ni16",
"formula_reduced": "MgNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5463224380952383,
"spacegroup": 194
},
{
"id": "jvasp-115406",
"created_at": "2022-09-04T14:38:44.415559Z",
"updated_at": "2022-09-04T14:38:44.415586Z",
"structure_string": "As1 N1 F2\n1.0\n3.225501 -0.000000 -0.000000\n0.000000 3.225501 0.000000\n0.000000 0.000000 5.050063\nAs N F\n1 1 2\ndirect\n0.500000 0.500000 0.741019 As\n0.000000 0.000000 0.739214 N\n0.000000 0.000000 0.439121 F\n0.500000 0.500000 0.090645 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"N",
"F"
],
"chemical_system": "As-F-N",
"density": 4.011487800981264,
"density_atomic": 0.07613227954049741,
"volume": 52.54013178302721,
"volume_molar": 7.91010172865849,
"formula_full": "As1 N1 F2",
"formula_reduced": "AsNF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.66428139125,
"spacegroup": 99
},
{
"id": "jvasp-53152",
"created_at": "2022-09-04T14:38:16.137296Z",
"updated_at": "2022-09-04T14:38:16.137316Z",
"structure_string": "Ca4 Th1 F12\n1.0\n3.910432 -0.046714 -0.026261\n-1.911787 3.623642 0.024728\n-1.859257 -0.986654 15.867837\nCa Th F\n4 1 12\ndirect\n0.932487 0.916153 0.983387 Ca\n0.148990 0.542608 0.790195 Ca\n0.368902 0.174711 0.598040 Ca\n0.585521 0.801296 0.404853 Ca\n0.759179 0.358996 0.194115 Th\n0.507508 0.790278 0.259560 F\n0.195446 0.156396 0.269379 F\n0.286388 0.155226 0.452648 F\n0.010892 0.927787 0.128679 F\n0.063560 0.518299 0.643780 F\n0.454329 0.199022 0.744462 F\n0.322968 0.561706 0.118853 F\n0.843460 0.884900 0.836816 F\n0.674475 0.832478 0.551423 F\n0.231644 0.562304 0.935588 F\n0.898776 0.479789 0.352786 F\n0.619467 0.238064 0.035441 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ca",
"Th",
"F"
],
"chemical_system": "Ca-F-Th",
"density": 4.612976304521766,
"density_atomic": 0.0761303162656669,
"volume": 223.301318500717,
"volume_molar": 7.910305717087707,
"formula_full": "Ca4 Th1 F12",
"formula_reduced": "Ca4ThF12",
"formula_anonymous": "AB4C12",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-15060",
"created_at": "2022-09-04T14:37:07.249853Z",
"updated_at": "2022-09-04T14:37:07.249873Z",
"structure_string": "Zr1 C1\n1.0\n2.889765 -0.000000 1.668406\n0.963255 2.724497 1.668406\n0.000000 0.000000 3.336814\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500001 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"C"
],
"chemical_system": "C-Zr",
"density": 6.525201657014605,
"density_atomic": 0.07612882660482753,
"volume": 26.27125740925547,
"volume_molar": 7.91046050303647,
"formula_full": "Zr1 C1",
"formula_reduced": "ZrC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9590222500000003,
"spacegroup": 225
},
{
"id": "jvasp-56860",
"created_at": "2022-09-04T14:37:58.569763Z",
"updated_at": "2022-09-04T14:37:58.569795Z",
"structure_string": "Ti6 Ni8\n1.0\n6.135934 -0.020028 -2.720718\n-4.176600 4.495120 -2.720718\n-0.008769 -0.020028 6.712073\nTi Ni\n6 8\ndirect\n0.499463 0.894617 0.761595 Ti\n0.238404 0.500536 0.105381 Ti\n0.500535 0.105381 0.238403 Ti\n0.105382 0.238404 0.500535 Ti\n0.894617 0.761595 0.499463 Ti\n0.761595 0.499463 0.894617 Ti\n0.580057 0.739956 0.058839 Ni\n0.419941 0.260043 0.941159 Ni\n0.739955 0.058839 0.580057 Ni\n0.058840 0.580057 0.739955 Ni\n0.260043 0.941160 0.419941 Ni\n0.000000 0.000000 0.000000 Ni\n0.941159 0.419942 0.260043 Ni\n0.499999 0.499999 0.499999 Ni\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 6.833136896446582,
"density_atomic": 0.07612846783552601,
"volume": 183.8996685214618,
"volume_molar": 7.9104977825256,
"formula_full": "Ti6 Ni8",
"formula_reduced": "Ti3Ni4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.4844678,
"spacegroup": 148
},
{
"id": "jvasp-104994",
"created_at": "2022-09-04T14:36:57.670423Z",
"updated_at": "2022-09-04T14:36:57.670451Z",
"structure_string": "Rb2 Cr2 O4\n1.0\n2.714370 -0.000050 1.567110\n0.904893 12.352329 1.567282\n0.000019 -0.000050 3.134268\nRb Cr O\n2 2 4\ndirect\n0.500001 0.500001 0.499998 Rb\n-0.000000 0.999999 -0.000002 Rb\n0.250000 0.250000 0.250001 Cr\n0.749999 0.750000 0.749999 Cr\n0.390135 0.829584 0.390136 O\n0.890135 0.329585 0.890137 O\n0.109863 0.670416 0.109864 O\n0.609863 0.170415 0.609865 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"O"
],
"chemical_system": "Cr-O-Rb",
"density": 5.355493996436797,
"density_atomic": 0.0761265781721235,
"volume": 105.0881333706063,
"volume_molar": 7.910694142043056,
"formula_full": "Rb2 Cr2 O4",
"formula_reduced": "RbCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6939936000000002,
"spacegroup": 166
},
{
"id": "jvasp-9343",
"created_at": "2022-09-04T14:38:28.634358Z",
"updated_at": "2022-09-04T14:38:28.634385Z",
"structure_string": "V1 W2 O8\n1.0\n4.866843 0.003641 0.114325\n-1.295792 4.956113 -0.036382\n-0.017386 -2.336990 5.991852\nV W O\n1 2 8\ndirect\n0.975161 0.100152 0.223981 V\n0.712179 0.631668 0.417530 W\n0.237477 0.567808 0.028722 W\n0.619841 0.843191 0.667840 O\n0.848856 0.358495 0.478201 O\n0.606341 0.815725 0.188951 O\n0.882770 0.326180 0.067215 O\n0.101294 0.840496 0.968078 O\n0.330011 0.356346 0.778512 O\n0.343463 0.383203 0.257483 O\n0.067554 0.873349 0.379122 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"V",
"W",
"O"
],
"chemical_system": "O-V-W",
"density": 6.281609738987013,
"density_atomic": 0.07612576027535088,
"volume": 144.49773585462293,
"volume_molar": 7.91077913470762,
"formula_full": "V1 W2 O8",
"formula_reduced": "V(WO4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 4.143810199999999,
"spacegroup": 2
},
{
"id": "jvasp-9209",
"created_at": "2022-09-04T14:38:12.189823Z",
"updated_at": "2022-09-04T14:38:12.189856Z",
"structure_string": "Ba2 Y1 Co3 O7\n1.0\n3.892817 0.000000 0.000000\n0.000000 3.879405 0.000000\n0.000000 0.000000 11.308145\nBa Y Co O\n2 1 3 7\ndirect\n0.500000 0.499999 0.820456 Ba\n0.500000 0.499999 0.179544 Ba\n0.500000 0.499999 0.500000 Y\n0.000000 0.000000 0.650294 Co\n0.000000 0.000000 0.349706 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.499999 0.000000 O\n0.500000 0.000000 0.625959 O\n0.500000 0.000000 0.374042 O\n0.000000 0.499999 0.625524 O\n0.000000 0.499999 0.374476 O\n0.000000 0.000000 0.835274 O\n0.000000 0.000000 0.164726 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Y",
"density": 6.343263775745826,
"density_atomic": 0.07612422325869281,
"volume": 170.773499465763,
"volume_molar": 7.910938860466227,
"formula_full": "Ba2 Y1 Co3 O7",
"formula_reduced": "Ba2YCo3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.589292660769231,
"spacegroup": 47
},
{
"id": "jvasp-42732",
"created_at": "2022-09-04T14:37:30.010166Z",
"updated_at": "2022-09-04T14:37:30.010186Z",
"structure_string": "Li2 V2 O2 F8\n1.0\n0.000000 4.078577 -0.000970\n9.511135 0.000000 0.000000\n0.000000 -2.040056 -4.740477\nLi V O F\n2 2 2 8\ndirect\n0.745111 0.508791 0.988215 Li\n0.254889 0.008792 0.011785 Li\n0.848914 0.258738 0.499266 V\n0.151086 0.758738 0.500734 V\n0.757007 0.758719 0.500813 O\n0.242993 0.258720 0.499187 O\n0.627737 0.123161 0.236961 F\n0.624130 0.390054 0.226326 F\n0.896923 0.127423 0.772188 F\n0.890087 0.394347 0.761525 F\n0.109913 0.894346 0.238475 F\n0.103077 0.627423 0.227813 F\n0.375871 0.890054 0.773675 F\n0.372263 0.623161 0.763039 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.7064641092584987,
"density_atomic": 0.07612381282496354,
"volume": 183.91091408139414,
"volume_molar": 7.910981513560156,
"formula_full": "Li2 V2 O2 F8",
"formula_reduced": "LiVOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7055298328571434,
"spacegroup": 20
},
{
"id": "jvasp-57496",
"created_at": "2022-09-04T14:36:35.804298Z",
"updated_at": "2022-09-04T14:36:35.804320Z",
"structure_string": "Ge4 Pb1 O9\n1.0\n4.589984 0.000877 -1.070866\n-2.285963 5.820709 -2.883362\n-0.005559 -0.002899 6.886219\nGe Pb O\n4 1 9\ndirect\n0.500000 0.487387 0.512613 Ge\n0.679991 0.486945 0.069132 Ge\n0.000000 0.307910 0.692090 Ge\n0.320009 0.930868 0.513055 Ge\n-0.000000 -0.002985 0.002985 Pb\n0.605239 0.091497 0.456557 O\n0.394761 0.543443 0.908504 O\n0.840570 0.285411 0.922441 O\n0.866188 0.555183 0.713614 O\n0.159429 0.077559 0.714590 O\n0.133812 0.286386 0.444817 O\n0.513299 0.375437 0.227758 O\n0.000000 0.756119 0.243881 O\n0.486701 0.772242 0.624564 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"O"
],
"chemical_system": "Ge-O-Pb",
"density": 5.794376610083843,
"density_atomic": 0.07612313523613153,
"volume": 183.9125511130414,
"volume_molar": 7.9110519309530725,
"formula_full": "Ge4 Pb1 O9",
"formula_reduced": "Ge4PbO9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.09961758,
"spacegroup": 5
},
{
"id": "jvasp-94933",
"created_at": "2022-09-04T14:35:58.001631Z",
"updated_at": "2022-09-04T14:35:58.001656Z",
"structure_string": "Er2 Cr2 C3\n1.0\n-0.000000 -3.344577 0.000000\n-4.987427 1.672289 1.462235\n-0.028126 0.000000 -5.504733\nEr Cr C\n2 2 3\ndirect\n0.393339 0.786677 0.183608 Er\n0.606662 0.213325 0.816391 Er\n0.155967 0.311934 0.386890 Cr\n0.844035 0.688067 0.613110 Cr\n0.000000 0.000000 0.500000 C\n0.716128 0.432256 0.266683 C\n0.283873 0.567746 0.733316 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Cr",
"C"
],
"chemical_system": "C-Cr-Er",
"density": 8.568798520935212,
"density_atomic": 0.07611915228313486,
"volume": 91.9610871908112,
"volume_molar": 7.9114658786528285,
"formula_full": "Er2 Cr2 C3",
"formula_reduced": "Er2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.895603542857143,
"spacegroup": 12
},
{
"id": "jvasp-64929",
"created_at": "2022-09-04T14:36:18.438195Z",
"updated_at": "2022-09-04T14:36:18.438227Z",
"structure_string": "Be1 Co4 Pb1\n1.0\n0.000000 3.403109 3.403109\n3.403109 0.000000 3.403109\n3.403109 3.403109 0.000000\nBe Co Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.373829 0.373829 0.373829 Co\n0.373829 0.878514 0.373829 Co\n0.373829 0.373829 0.878514 Co\n0.878514 0.373829 0.373829 Co\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Co",
"Pb"
],
"chemical_system": "Be-Co-Pb",
"density": 9.520879588051947,
"density_atomic": 0.07611910548268101,
"volume": 78.82383748407486,
"volume_molar": 7.911470742874384,
"formula_full": "Be1 Co4 Pb1",
"formula_reduced": "BeCo4Pb",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8890900866666662,
"spacegroup": 216
}
]
}