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=nelements&page=4545",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4543",
"results": [
{
"id": "jvasp-57069",
"created_at": "2022-09-04T14:37:45.294818Z",
"updated_at": "2022-09-04T14:37:45.294847Z",
"structure_string": "Ba2 Ga4 B4 O14\n1.0\n5.844336 -0.000000 -0.000000\n-0.000000 7.050121 -2.116898\n-0.000000 0.022333 7.361043\nBa Ga B O\n2 4 4 14\ndirect\n0.750000 0.195753 0.195753 Ba\n0.250000 0.804247 0.804246 Ba\n0.750000 0.126590 0.709797 Ga\n0.250000 0.290202 0.873410 Ga\n0.750000 0.709797 0.126590 Ga\n0.250000 0.873410 0.290202 Ga\n0.250000 0.504818 0.282474 B\n0.750000 0.495182 0.717525 B\n0.750000 0.717525 0.495182 B\n0.250000 0.282474 0.504818 B\n0.750000 0.585949 0.319902 O\n0.750000 0.905697 0.507835 O\n0.750000 0.507835 0.905697 O\n0.250000 0.680097 0.414050 O\n0.250000 0.094303 0.492164 O\n0.250000 0.334405 0.334405 O\n0.750000 0.665594 0.665594 O\n0.500000 0.867494 0.132506 O\n0.750000 0.319902 0.585949 O\n0.000000 0.867494 0.132506 O\n0.250000 0.414050 0.680097 O\n0.500000 0.132506 0.867494 O\n0.000000 0.132506 0.867494 O\n0.250000 0.492164 0.094303 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"B",
"O"
],
"chemical_system": "B-Ba-Ga-O",
"density": 4.489625874142044,
"density_atomic": 0.07905779266932368,
"volume": 303.5753869373155,
"volume_molar": 7.6173904641999135,
"formula_full": "Ba2 Ga4 B4 O14",
"formula_reduced": "BaGa2B2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.301849190555556,
"spacegroup": 63
},
{
"id": "jvasp-38115",
"created_at": "2022-09-04T14:38:00.293260Z",
"updated_at": "2022-09-04T14:38:00.293287Z",
"structure_string": "Rb2 Na1 In1 F6\n1.0\n0.000000 4.358648 4.358648\n4.358648 -0.000000 4.358648\n4.358648 4.358648 0.000000\nRb Na In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 In\n0.259165 0.740835 0.740835 F\n0.259165 0.740835 0.259165 F\n0.740835 0.259165 0.740835 F\n0.740835 0.740835 0.259165 F\n0.259165 0.259165 0.740835 F\n0.740835 0.259165 0.259165 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"In",
"F"
],
"chemical_system": "F-In-Na-Rb",
"density": 4.2386804012913215,
"density_atomic": 0.06038298976250039,
"volume": 165.60955393782595,
"volume_molar": 9.973240450144003,
"formula_full": "Rb2 Na1 In1 F6",
"formula_reduced": "Rb2NaInF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12359",
"created_at": "2022-09-04T14:37:45.294988Z",
"updated_at": "2022-09-04T14:37:45.295011Z",
"structure_string": "K2 Pb1 S2 O8\n1.0\n5.169288 0.023946 5.586138\n2.204003 4.675948 5.586138\n0.037567 0.023946 7.610852\nK Pb S O\n2 1 2 8\ndirect\n0.798793 0.798796 0.798793 K\n0.201206 0.201207 0.201206 K\n0.000000 0.000000 0.000000 Pb\n0.597489 0.597491 0.597489 S\n0.402510 0.402511 0.402510 S\n0.719951 0.719953 0.278890 O\n0.719951 0.278892 0.719951 O\n0.278890 0.719953 0.719951 O\n0.721109 0.280050 0.280048 O\n0.280048 0.280050 0.721109 O\n0.331234 0.331235 0.331234 O\n0.668765 0.668767 0.668765 O\n0.280048 0.721110 0.280049 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
"Pb",
"S",
"O"
],
"chemical_system": "K-O-Pb-S",
"density": 4.352294680897387,
"density_atomic": 0.07135416763872834,
"volume": 182.18977853991657,
"volume_molar": 8.439788395389268,
"formula_full": "K2 Pb1 S2 O8",
"formula_reduced": "K2Pb(SO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.8894942169230768,
"spacegroup": 166
},
{
"id": "jvasp-38082",
"created_at": "2022-09-04T14:37:59.504716Z",
"updated_at": "2022-09-04T14:37:59.504741Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.323230 5.323230\n5.323230 0.000000 5.323230\n5.323230 5.323230 -0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.248423 0.751577 0.751577 Cl\n0.248423 0.751577 0.248423 Cl\n0.751577 0.248423 0.751577 Cl\n0.751577 0.751577 0.248423 Cl\n0.248423 0.248423 0.751577 Cl\n0.751577 0.248423 0.248423 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sb",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sb",
"density": 2.90843248497757,
"density_atomic": 0.033147006320966815,
"volume": 301.68636959756446,
"volume_molar": 18.167977830899183,
"formula_full": "Rb2 Na1 Sb1 Cl6",
"formula_reduced": "Rb2NaSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-59670",
"created_at": "2022-09-04T14:37:45.288494Z",
"updated_at": "2022-09-04T14:37:45.288505Z",
"structure_string": "K4 Cd2 C8 N8\n1.0\n7.861759 0.000000 4.538988\n2.620586 7.412137 4.538988\n0.000000 0.000000 9.077976\nK Cd C N\n4 2 8 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875000 0.875000 Cd\n0.775456 0.775456 0.173632 C\n0.224545 0.826369 0.224544 C\n0.173632 0.775456 0.775456 C\n0.775456 0.173632 0.775456 C\n0.826369 0.224544 0.224544 C\n0.224544 0.224544 0.826369 C\n0.775456 0.775456 0.775456 C\n0.224544 0.224544 0.224544 C\n0.331400 0.722867 0.722867 N\n0.722867 0.331399 0.722867 N\n0.722867 0.722867 0.722867 N\n0.277133 0.668601 0.277133 N\n0.277133 0.277133 0.668601 N\n0.277133 0.277133 0.277133 N\n0.722867 0.722867 0.331399 N\n0.668601 0.277133 0.277133 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Cd",
"C",
"N"
],
"chemical_system": "C-Cd-K-N",
"density": 1.8500072615477,
"density_atomic": 0.04158823469852342,
"volume": 528.9957642943932,
"volume_molar": 14.480395245566445,
"formula_full": "K4 Cd2 C8 N8",
"formula_reduced": "K2Cd(CN)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 4.499194431818182,
"spacegroup": 227
},
{
"id": "jvasp-26866",
"created_at": "2022-09-04T14:37:59.036117Z",
"updated_at": "2022-09-04T14:37:59.036148Z",
"structure_string": "Ti12 Al8 Ni4 C4\n1.0\n7.025765 0.000000 4.056328\n2.341922 6.623955 4.056328\n0.000000 0.000000 8.112655\nTi Al Ni C\n12 8 4 4\ndirect\n0.937216 0.937218 0.312783 Ti\n0.062782 0.687218 0.687217 Ti\n0.312782 0.937218 0.937217 Ti\n0.687217 0.062783 0.687217 Ti\n0.687216 0.687218 0.062783 Ti\n0.062783 0.062783 0.687217 Ti\n0.062782 0.687218 0.062783 Ti\n0.312782 0.937218 0.312783 Ti\n0.937216 0.312783 0.937217 Ti\n0.937216 0.312783 0.312783 Ti\n0.312782 0.312783 0.937217 Ti\n0.687217 0.062783 0.062783 Ti\n0.708125 0.708127 0.708126 Al\n0.291873 0.291874 0.291874 Al\n0.708125 0.708127 0.375621 Al\n0.708125 0.375621 0.708126 Al\n0.375620 0.708127 0.708126 Al\n0.291873 0.624380 0.291874 Al\n0.624379 0.291874 0.291874 Al\n0.291873 0.291874 0.624379 Al\n-0.000000 0.500000 0.500000 Ni\n0.499999 0.500000 0.000000 Ni\n0.499999 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.500000 -0.000000 0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n-0.000000 0.500000 0.000000 C\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Ni",
"C"
],
"chemical_system": "Al-C-Ni-Ti",
"density": 4.719589725378136,
"density_atomic": 0.07416244361707042,
"volume": 377.54958755910076,
"volume_molar": 8.120202714860175,
"formula_full": "Ti12 Al8 Ni4 C4",
"formula_reduced": "Ti3Al2NiC",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 3.474573285714287,
"spacegroup": 227
},
{
"id": "jvasp-15910",
"created_at": "2022-09-04T14:37:45.284764Z",
"updated_at": "2022-09-04T14:37:45.284784Z",
"structure_string": "Li1 Mg1 Sb1 Pd1\n1.0\n4.013378 -0.000000 2.317125\n1.337793 3.783849 2.317125\n0.000000 0.000000 4.634250\nLi Mg Sb Pd\n1 1 1 1\ndirect\n0.750000 0.750000 0.749999 Li\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Sb",
"Pd"
],
"chemical_system": "Li-Mg-Pd-Sb",
"density": 6.121238142044441,
"density_atomic": 0.05683772286449555,
"volume": 70.37579618620953,
"volume_molar": 10.595323768260624,
"formula_full": "Li1 Mg1 Sb1 Pd1",
"formula_reduced": "LiMgSbPd",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6360777125,
"spacegroup": 216
},
{
"id": "jvasp-26335",
"created_at": "2022-09-04T14:37:59.049815Z",
"updated_at": "2022-09-04T14:37:59.049827Z",
"structure_string": "Tm1 Bi2 Br1 O4\n1.0\n3.880534 -0.000000 -0.000000\n0.000000 3.880534 -0.000000\n0.000000 0.000000 9.213895\nTm Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.269648 Bi\n0.499999 0.499999 0.730352 Bi\n0.000000 0.000000 0.500000 Br\n0.000000 0.499999 0.145745 O\n0.000000 0.499999 0.854254 O\n0.499999 0.000000 0.145745 O\n0.499999 0.000000 0.854254 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tm",
"Bi",
"Br",
"O"
],
"chemical_system": "Bi-Br-O-Tm",
"density": 8.74619945051163,
"density_atomic": 0.05765855342346771,
"volume": 138.74784442205424,
"volume_molar": 10.444488115702391,
"formula_full": "Tm1 Bi2 Br1 O4",
"formula_reduced": "TmBi2BrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.5764201193750005,
"spacegroup": 123
},
{
"id": "jvasp-28928",
"created_at": "2022-09-04T14:37:45.252332Z",
"updated_at": "2022-09-04T14:37:45.252356Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n3.348168 -0.000001 0.000001\n-1.674085 2.899597 0.000004\n0.000006 0.000050 37.870547\nTe W Se S\n2 4 4 2\ndirect\n0.333357 0.666709 0.707786 Te\n0.333359 0.666714 0.607200 Te\n0.333315 0.666626 0.094020 W\n0.333311 0.666616 0.469583 W\n0.666693 0.333383 0.281787 W\n0.666690 0.333377 0.657543 W\n0.333362 0.666719 0.326004 Se\n0.666648 0.333288 0.425381 Se\n0.666641 0.333277 0.513782 Se\n0.333357 0.666713 0.237561 Se\n0.666648 0.333293 0.053857 S\n0.666645 0.333290 0.134243 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.190008673910867,
"density_atomic": 0.03263885085576619,
"volume": 367.660002891309,
"volume_molar": 18.450835743612245,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.9087374166666655,
"spacegroup": 156
},
{
"id": "jvasp-23964",
"created_at": "2022-09-04T14:37:43.111740Z",
"updated_at": "2022-09-04T14:37:43.111761Z",
"structure_string": "Al2 H24 Cl6 O12\n1.0\n7.819564 -0.148076 -1.089050\n-1.230817 7.723509 -1.089050\n-0.128790 -0.148076 7.893986\nAl H Cl O\n2 24 6 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.794232 0.392473 0.586845 H\n0.237506 0.279755 0.537867 H\n0.262493 0.962133 0.220244 H\n0.220244 0.262493 0.962133 H\n0.537867 0.237506 0.279756 H\n0.279755 0.537867 0.237507 H\n0.779755 0.737506 0.037867 H\n0.037867 0.779755 0.737507 H\n0.737506 0.037866 0.779756 H\n0.762493 0.720244 0.462133 H\n0.462132 0.762493 0.720245 H\n0.962132 0.220244 0.262493 H\n0.294233 0.086844 0.892474 H\n0.892473 0.294232 0.086844 H\n0.086844 0.892474 0.294233 H\n0.413155 0.205767 0.607527 H\n0.607526 0.413155 0.205767 H\n0.205767 0.607526 0.413156 H\n0.705766 0.913155 0.107526 H\n0.107526 0.705767 0.913156 H\n0.913155 0.107526 0.705767 H\n0.392473 0.586844 0.794233 H\n0.720244 0.462132 0.762494 H\n0.586844 0.794233 0.392474 H\n0.523024 0.976975 0.250000 Cl\n0.250000 0.523024 0.976975 Cl\n0.976974 0.249999 0.523025 Cl\n0.476975 0.023024 0.750000 Cl\n0.023025 0.750000 0.476975 Cl\n0.749999 0.476975 0.023025 Cl\n0.546553 0.367335 0.296176 O\n0.367335 0.296176 0.546554 O\n0.132665 0.953447 0.203824 O\n0.953446 0.203823 0.132665 O\n0.203824 0.132664 0.953447 O\n0.796175 0.867335 0.046553 O\n0.867334 0.046553 0.796176 O\n0.632664 0.703823 0.453447 O\n0.453446 0.632665 0.703824 O\n0.703823 0.453446 0.632665 O\n0.296176 0.546553 0.367335 O\n0.046553 0.796176 0.867335 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Al",
"H",
"Cl",
"O"
],
"chemical_system": "Al-Cl-H-O",
"density": 1.696063017437979,
"density_atomic": 0.09307227776606877,
"volume": 472.7508669186242,
"volume_molar": 6.470391511354506,
"formula_full": "Al2 H24 Cl6 O12",
"formula_reduced": "AlH12(ClO2)3",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 2.6774411819318185,
"spacegroup": 167
},
{
"id": "jvasp-57352",
"created_at": "2022-09-04T14:37:43.102508Z",
"updated_at": "2022-09-04T14:37:43.102529Z",
"structure_string": "Er2 Mo2 Cl2 O8\n1.0\n6.045192 0.006688 1.519974\n1.764959 5.781808 1.519974\n0.013349 0.009894 6.813846\nEr Mo Cl O\n2 2 2 8\ndirect\n0.221791 0.221790 0.890903 Er\n0.778209 0.778210 0.109097 Er\n0.637471 0.637470 0.730273 Mo\n0.362529 0.362529 0.269727 Mo\n0.009031 0.009030 0.236977 Cl\n0.990969 0.990969 0.763023 Cl\n0.509221 0.892334 0.845601 O\n0.490779 0.107666 0.154399 O\n0.107666 0.490779 0.154399 O\n0.543706 0.543706 0.199277 O\n0.294987 0.294987 0.537900 O\n0.892334 0.509221 0.845601 O\n0.705013 0.705013 0.462100 O\n0.456294 0.456294 0.800722 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Er",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Er-Mo-O",
"density": 5.062653572074915,
"density_atomic": 0.05884911691197665,
"volume": 237.89651798752476,
"volume_molar": 10.233187983105331,
"formula_full": "Er2 Mo2 Cl2 O8",
"formula_reduced": "ErMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4016891382142864,
"spacegroup": 12
},
{
"id": "jvasp-46114",
"created_at": "2022-09-04T14:38:00.335754Z",
"updated_at": "2022-09-04T14:38:00.335777Z",
"structure_string": "Li1 Mn1 C2 O6\n1.0\n2.320883 1.033121 -3.884861\n-0.000000 4.104307 3.864548\n2.320883 -1.033121 3.884861\nLi Mn C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.499999 Mn\n0.245787 0.737362 0.754212 C\n0.754212 0.262639 0.245787 C\n0.038443 0.261180 0.258485 O\n0.518776 0.738821 0.038443 O\n0.258485 0.738821 0.481224 O\n0.741514 0.261180 0.518775 O\n0.481223 0.261180 0.961556 O\n0.961556 0.738821 0.741514 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 3.263823636761098,
"density_atomic": 0.10805687895896636,
"volume": 92.54385372168126,
"volume_molar": 5.573121135848145,
"formula_full": "Li1 Mn1 C2 O6",
"formula_reduced": "LiMn(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.603383824137931,
"spacegroup": 148
}
]
}