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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3568",
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"results": [
{
"id": "jvasp-7661",
"created_at": "2022-09-04T14:36:44.438299Z",
"updated_at": "2022-09-04T14:36:44.438307Z",
"structure_string": "Ba1 Li1 P1\n1.0\n2.203980 -3.817406 -0.000000\n2.203980 3.817406 0.000000\n0.000000 -0.000000 4.516278\nBa Li P\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.500000 Li\n0.666667 0.333333 0.500000 P\n",
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"volume": 75.99528774862875,
"volume_molar": 15.255143997298196,
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{
"id": "jvasp-27337",
"created_at": "2022-09-04T14:38:27.288615Z",
"updated_at": "2022-09-04T14:38:27.288636Z",
"structure_string": "Rb12 Zn4 Br20\n1.0\n9.003553 -0.000000 0.000000\n-0.000000 10.486662 0.000000\n0.000000 0.000000 13.252502\nRb Zn Br\n12 4 20\ndirect\n0.416001 0.250000 0.547918 Rb\n0.916000 0.250000 0.952082 Rb\n0.583999 0.750000 0.452082 Rb\n0.083999 0.750000 0.047918 Rb\n0.414940 0.017130 0.828111 Rb\n0.914940 0.482870 0.671888 Rb\n0.585060 0.517130 0.171888 Rb\n0.085060 0.982869 0.328111 Rb\n0.585060 0.982869 0.171888 Rb\n0.085060 0.517130 0.328111 Rb\n0.414940 0.482870 0.828111 Rb\n0.914940 0.017130 0.671888 Rb\n0.189731 0.750000 0.607407 Zn\n0.689731 0.750000 0.892592 Zn\n0.310268 0.250000 0.107408 Zn\n0.810268 0.250000 0.392592 Zn\n0.831740 0.750000 0.234508 Br\n0.313475 0.553968 0.562803 Br\n0.813475 0.946032 0.937197 Br\n0.313475 0.946032 0.562803 Br\n0.813475 0.553968 0.937197 Br\n0.686525 0.446032 0.437197 Br\n0.186525 0.053968 0.062803 Br\n0.331740 0.750000 0.265492 Br\n0.668259 0.250000 0.734508 Br\n0.866195 0.250000 0.213826 Br\n0.460728 0.750000 0.990743 Br\n0.960728 0.750000 0.509256 Br\n0.539272 0.250000 0.009257 Br\n0.039272 0.250000 0.490743 Br\n0.133805 0.750000 0.786174 Br\n0.633804 0.750000 0.713826 Br\n0.186525 0.446032 0.062803 Br\n0.366195 0.250000 0.286174 Br\n0.168260 0.250000 0.765492 Br\n0.686525 0.053968 0.437197 Br\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Br-Rb-Zn",
"density": 3.829088943468557,
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"volume": 1251.264358585849,
"volume_molar": 20.931361376041938,
"formula_full": "Rb12 Zn4 Br20",
"formula_reduced": "Rb3ZnBr5",
"formula_anonymous": "AB3C5",
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"spacegroup": 62
},
{
"id": "jvasp-92885",
"created_at": "2022-09-04T14:35:59.229717Z",
"updated_at": "2022-09-04T14:35:59.229735Z",
"structure_string": "Hf1 Mg6 Cr1\n1.0\n6.368940 -0.177868 0.000000\n-3.338509 5.426730 0.000000\n0.000000 0.000000 4.804374\nHf Mg Cr\n1 6 1\ndirect\n0.299571 0.200429 0.749999 Hf\n0.179469 0.834802 0.250000 Mg\n0.665198 0.320530 0.250000 Mg\n0.674900 0.825099 0.250000 Mg\n0.315522 0.670730 0.749999 Mg\n0.829270 0.184477 0.749999 Mg\n0.830536 0.669463 0.749999 Mg\n0.205531 0.294469 0.250000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
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],
"chemical_system": "Cr-Hf-Mg",
"density": 3.8290065826277795,
"density_atomic": 0.04902010117455978,
"volume": 163.19835757809088,
"volume_molar": 12.28504351420095,
"formula_full": "Hf1 Mg6 Cr1",
"formula_reduced": "HfMg6Cr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7851718375,
"spacegroup": 38
},
{
"id": "jvasp-21473",
"created_at": "2022-09-04T14:37:47.690608Z",
"updated_at": "2022-09-04T14:37:47.690641Z",
"structure_string": "Cr2 P8\n1.0\n4.709690 -0.010942 2.272294\n1.835994 5.400386 0.885816\n0.009140 -0.005471 5.997993\nCr P\n2 8\ndirect\n0.061118 0.250000 0.877764 Cr\n0.938880 0.750001 0.122236 Cr\n0.492707 0.309404 0.561225 P\n0.946067 0.190598 0.561225 P\n0.183841 0.323914 0.176117 P\n0.640042 0.176087 0.176117 P\n0.816157 0.676087 0.823882 P\n0.359956 0.823915 0.823883 P\n0.053932 0.809404 0.438775 P\n0.507292 0.690598 0.438774 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"chemical_system": "Cr-P",
"density": 3.8289219712747298,
"density_atomic": 0.06554709358665839,
"volume": 152.56206572728075,
"volume_molar": 9.187502344460565,
"formula_full": "Cr2 P8",
"formula_reduced": "CrP4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.4963978800000004,
"spacegroup": 15
},
{
"id": "jvasp-109454",
"created_at": "2022-09-04T14:38:02.721382Z",
"updated_at": "2022-09-04T14:38:02.721391Z",
"structure_string": "K2 Nd1 Cu1 Br6\n1.0\n6.731057 -0.000000 3.886178\n2.243686 6.346101 3.886178\n-0.000000 -0.000000 7.772355\nK Nd Cu Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759887 0.240114 0.240114 Br\n0.240114 0.240114 0.759887 Br\n0.240114 0.759886 0.759887 Br\n0.240114 0.759886 0.240114 Br\n0.759887 0.240114 0.759887 Br\n0.759887 0.759886 0.240114 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Nd",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-K-Nd",
"density": 3.8282435403395954,
"density_atomic": 0.030120149514197815,
"volume": 332.0036640351428,
"volume_molar": 19.9937279765538,
"formula_full": "K2 Nd1 Cu1 Br6",
"formula_reduced": "K2NdCuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42814",
"created_at": "2022-09-04T14:36:17.601499Z",
"updated_at": "2022-09-04T14:36:17.601532Z",
"structure_string": "Na3 Mn5 O12\n1.0\n0.000000 4.947551 -0.005481\n8.533273 0.000000 0.000000\n0.000000 -1.783857 -5.501386\nNa Mn O\n3 5 12\ndirect\n-0.000000 0.699995 0.500000 Na\n-0.000000 0.300005 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.823759 0.000000 Mn\n0.000000 0.176241 0.000000 Mn\n0.500000 0.660251 -0.000000 Mn\n0.500000 0.339748 -0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.297269 0.500000 0.800388 O\n0.248727 0.316450 0.190338 O\n0.771673 0.000000 0.829581 O\n0.248727 0.683550 0.190338 O\n0.751272 0.316450 0.809663 O\n0.702730 0.500000 0.199613 O\n0.731602 0.167273 0.179417 O\n0.751272 0.683550 0.809663 O\n0.228326 0.000000 0.170420 O\n0.731602 0.832727 0.179417 O\n0.268398 0.832727 0.820584 O\n0.268398 0.167273 0.820584 O\n",
"nsites": 20,
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"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.828230529958505,
"density_atomic": 0.08607875559460257,
"volume": 232.34536630840964,
"volume_molar": 6.996082504215023,
"formula_full": "Na3 Mn5 O12",
"formula_reduced": "Na3Mn5O12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 2.9434572603448275,
"spacegroup": 10
},
{
"id": "jvasp-107112",
"created_at": "2022-09-04T14:36:48.693055Z",
"updated_at": "2022-09-04T14:36:48.693075Z",
"structure_string": "K2 Al1 In1 I6\n1.0\n7.312754 -0.000000 4.222020\n2.437585 6.894531 4.222020\n-0.000000 -0.000000 8.444041\nK Al In I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500000 In\n0.767428 0.232571 0.232572 I\n0.232571 0.232571 0.767429 I\n0.232571 0.767429 0.767429 I\n0.232571 0.767429 0.232572 I\n0.767428 0.232571 0.767429 I\n0.767428 0.767429 0.232572 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Al",
"In",
"I"
],
"chemical_system": "Al-I-In-K",
"density": 3.8279766912445754,
"density_atomic": 0.02348897003746982,
"volume": 425.7317363872451,
"volume_molar": 25.638164425232038,
"formula_full": "K2 Al1 In1 I6",
"formula_reduced": "K2AlInI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-25246",
"created_at": "2022-09-04T14:38:27.538283Z",
"updated_at": "2022-09-04T14:38:27.538316Z",
"structure_string": "Ba4\n1.0\n6.868915 -0.000000 2.733476\n3.434458 5.677569 1.366738\n1.335192 0.000000 6.641952\nBa\n4\ndirect\n0.178899 0.500000 0.142202 Ba\n0.821100 0.500000 0.857799 Ba\n0.678898 0.142202 0.500001 Ba\n0.321101 0.857798 0.500000 Ba\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba",
"density": 3.8276269594582066,
"density_atomic": 0.016785124800362563,
"volume": 238.3062412448431,
"volume_molar": 35.87784321907407,
"formula_full": "Ba4",
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"spacegroup": 140
},
{
"id": "jvasp-115725",
"created_at": "2022-09-04T14:38:47.666649Z",
"updated_at": "2022-09-04T14:38:47.666680Z",
"structure_string": "Rb1 Sb1 Br1\n1.0\n3.662635 0.000000 0.000000\n0.000000 3.662635 0.000000\n0.000000 0.000000 9.285775\nRb Sb Br\n1 1 1\ndirect\n0.000000 0.000000 0.626500 Rb\n0.000000 0.000000 0.003765 Sb\n0.000000 0.000000 0.291817 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-Rb-Sb",
"density": 3.8275859553894294,
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"volume": 124.5676979485801,
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"formula_full": "Rb1 Sb1 Br1",
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"spacegroup": 99
},
{
"id": "jvasp-99060",
"created_at": "2022-09-04T14:35:49.060420Z",
"updated_at": "2022-09-04T14:35:49.060448Z",
"structure_string": "Rb1 In1 Mo2 O8\n1.0\n5.886888 -0.000000 -0.000000\n-2.943444 5.098195 0.000000\n-0.000000 -0.000000 7.520296\nRb In Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.666668 0.333333 0.750773 Mo\n0.333334 0.666668 0.249227 Mo\n0.333592 0.166796 0.825588 O\n0.833204 0.166796 0.825588 O\n0.833205 0.666409 0.825588 O\n0.166797 0.833205 0.174412 O\n0.333334 0.666668 0.479638 O\n0.666668 0.333333 0.520363 O\n0.166797 0.333592 0.174412 O\n0.666410 0.833205 0.174412 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "In-Mo-O-Rb",
"density": 3.82692308520142,
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"volume": 225.70290601392145,
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"formula_full": "Rb1 In1 Mo2 O8",
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"spacegroup": 164
},
{
"id": "jvasp-2068",
"created_at": "2022-09-04T14:36:47.693902Z",
"updated_at": "2022-09-04T14:36:47.693922Z",
"structure_string": "Mg1 Br2\n1.0\n1.922924 -3.330603 0.000000\n1.922924 3.330603 0.000000\n0.000000 0.000000 6.236984\nMg Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.240904 Br\n0.666666 0.333332 0.759095 Br\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.82687201186562,
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"volume": 79.88948368824134,
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"formula_full": "Mg1 Br2",
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"spacegroup": 164
},
{
"id": "jvasp-30494",
"created_at": "2022-09-04T14:38:03.850258Z",
"updated_at": "2022-09-04T14:38:03.850286Z",
"structure_string": "Sn2 Br2 Cl2\n1.0\n6.003549 -0.000000 -0.000000\n-0.000000 6.003549 0.000000\n-0.000000 -0.000000 5.635866\nSn Br Cl\n2 2 2\ndirect\n0.750000 0.750000 0.881619 Sn\n0.250000 0.250000 0.118382 Sn\n0.250000 0.750000 -0.000000 Br\n0.750000 0.250000 0.000000 Br\n0.250000 0.250000 0.561788 Cl\n0.750000 0.750000 0.438213 Cl\n",
"nsites": 6,
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}
]
}