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=spacegroup&page=443",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=441",
"results": [
{
"id": "jvasp-47445",
"created_at": "2022-09-04T14:36:59.997461Z",
"updated_at": "2022-09-04T14:36:59.997477Z",
"structure_string": "Li7 Si2 Ni3 O12\n1.0\n-4.219873 -2.436344 -0.006364\n-4.217872 2.432878 -0.003182\n1.395631 0.805767 -9.448169\nLi Si Ni O\n7 2 3 12\ndirect\n0.673448 0.666668 0.996837 Li\n0.916665 0.666668 0.750000 Li\n0.835128 0.342764 0.502816 Li\n0.322108 0.342764 0.997184 Li\n0.159882 0.666668 0.503162 Li\n0.511223 0.990572 0.502816 Li\n0.998202 0.990573 0.997183 Li\n0.583388 0.333222 0.750000 Si\n0.249943 0.000112 0.750000 Si\n0.751375 -0.002751 0.250000 Ni\n0.081957 0.336085 0.250000 Ni\n0.416666 0.666667 0.250000 Ni\n0.252868 0.295519 0.644390 O\n0.795245 0.666668 0.370448 O\n0.712025 0.338357 0.138164 O\n0.951609 0.295520 0.855610 O\n0.511365 0.666668 0.644576 O\n0.881721 0.037815 0.644390 O\n0.449617 0.338357 0.361835 O\n0.321965 0.666668 0.855423 O\n0.038086 0.666667 0.129552 O\n0.580463 0.037815 0.855610 O\n0.383715 -0.005023 0.138164 O\n0.121307 -0.005023 0.361836 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 4.044406014752706,
"density_atomic": 0.12362632223275553,
"volume": 194.13341403794553,
"volume_molar": 4.87124477314945,
"formula_full": "Li7 Si2 Ni3 O12",
"formula_reduced": "Li7Si2(NiO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.209416516666667,
"spacegroup": 12
},
{
"id": "jvasp-48165",
"created_at": "2022-09-04T14:37:00.867399Z",
"updated_at": "2022-09-04T14:37:00.867418Z",
"structure_string": "Li3 Mn1 F6\n1.0\n4.881464 0.000000 0.099006\n-2.440732 4.294164 -0.049504\n0.061021 0.000000 4.906284\nLi Mn F\n3 1 6\ndirect\n0.320766 0.641556 0.499997 Li\n-0.000012 -0.000000 0.499998 Li\n0.679210 0.358443 0.499997 Li\n-0.000015 -0.000000 0.000005 Mn\n0.012182 0.693210 0.724532 F\n0.987799 0.306787 0.275469 F\n0.318972 0.306789 0.724532 F\n0.295890 -0.000000 0.227239 F\n0.681011 0.693212 0.275469 F\n0.704094 -0.000000 0.772766 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.06451956465989,
"density_atomic": 0.09725863388902074,
"volume": 102.81863522174017,
"volume_molar": 6.191882940564132,
"formula_full": "Li3 Mn1 F6",
"formula_reduced": "Li3MnF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.369498893637931,
"spacegroup": 12
},
{
"id": "jvasp-58422",
"created_at": "2022-09-04T14:37:00.229576Z",
"updated_at": "2022-09-04T14:37:00.229597Z",
"structure_string": "Mn8 As6\n1.0\n3.531685 0.000000 0.000000\n-1.765843 6.333049 -1.450083\n0.000000 -0.141695 9.374795\nMn As\n8 6\ndirect\n0.218121 0.436241 0.165179 Mn\n0.781881 0.563759 0.834822 Mn\n0.344050 0.688097 0.550587 Mn\n0.655952 0.311902 0.449414 Mn\n0.432323 0.864642 0.288561 Mn\n0.567679 0.135358 0.711440 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.062869 0.125736 0.272991 As\n0.937133 0.874263 0.727009 As\n0.186837 0.373673 0.652950 As\n0.813165 0.626326 0.347050 As\n0.362879 0.725756 0.020965 As\n0.637123 0.274244 0.979036 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mn",
"As"
],
"chemical_system": "As-Mn",
"density": 7.065069845337588,
"density_atomic": 0.0670003462450194,
"volume": 208.95414403982602,
"volume_molar": 8.988223341379625,
"formula_full": "Mn8 As6",
"formula_reduced": "Mn4As3",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.882704887931034,
"spacegroup": 12
},
{
"id": "jvasp-102640",
"created_at": "2022-09-04T14:37:00.248230Z",
"updated_at": "2022-09-04T14:37:00.248256Z",
"structure_string": "Ba2 Pr1 Bi1 O6\n1.0\n5.387442 -0.000708 3.113672\n1.783979 5.083498 3.113672\n-0.009288 -0.006583 6.302140\nBa Pr Bi O\n2 1 1 6\ndirect\n0.751998 0.751999 0.739915 Ba\n0.248001 0.248001 0.260085 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Bi\n0.737321 0.737321 0.186188 O\n0.262678 0.262679 0.813812 O\n0.698545 0.216290 0.306154 O\n0.301454 0.783710 0.693846 O\n0.783709 0.301455 0.693846 O\n0.216290 0.698546 0.306154 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Pr",
"density": 6.9230501059597565,
"density_atomic": 0.0578617036204387,
"volume": 172.8258826528513,
"volume_molar": 10.407817923067128,
"formula_full": "Ba2 Pr1 Bi1 O6",
"formula_reduced": "Ba2PrBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.727579709,
"spacegroup": 12
},
{
"id": "jvasp-105568",
"created_at": "2022-09-04T14:37:00.304651Z",
"updated_at": "2022-09-04T14:37:00.304676Z",
"structure_string": "Mn4 S3 N2\n1.0\n4.430991 -0.003014 3.833206\n1.159355 2.985310 0.000000\n-0.000842 0.000327 9.025858\nMn S N\n4 3 2\ndirect\n0.307566 0.846217 0.639009 Mn\n0.692432 0.153786 0.360992 Mn\n0.567127 0.716437 0.137875 Mn\n0.432871 0.283566 0.862126 Mn\n0.000000 0.000000 0.000000 S\n0.812554 0.593725 0.784117 S\n0.187445 0.406278 0.215884 S\n0.487014 0.756494 0.376799 N\n0.512985 0.243509 0.623202 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"S",
"N"
],
"chemical_system": "Mn-N-S",
"density": 4.7821581999934955,
"density_atomic": 0.07535441079966544,
"volume": 119.43560973394219,
"volume_molar": 7.991756150824734,
"formula_full": "Mn4 S3 N2",
"formula_reduced": "Mn4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.288859496168582,
"spacegroup": 12
},
{
"id": "jvasp-81333",
"created_at": "2022-09-04T14:37:05.925239Z",
"updated_at": "2022-09-04T14:37:05.925276Z",
"structure_string": "Li1 Y2 In1\n1.0\n-12.765177 0.736454 -2.599457\n-8.593336 -0.954093 0.840482\n-6.378671 3.755457 -1.575517\nLi Y In\n1 2 1\ndirect\n-0.000001 0.000001 0.000000 Li\n0.731910 0.008692 0.016749 Y\n0.268099 -0.008699 -0.016755 Y\n0.499994 0.000005 0.000003 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"In"
],
"chemical_system": "In-Li-Y",
"density": 4.653677618642305,
"density_atomic": 0.03742035076302246,
"volume": 106.8937067247554,
"volume_molar": 16.09322370636589,
"formula_full": "Li1 Y2 In1",
"formula_reduced": "LiY2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4834777175,
"spacegroup": 12
},
{
"id": "jvasp-51398",
"created_at": "2022-09-04T14:37:00.452293Z",
"updated_at": "2022-09-04T14:37:00.452310Z",
"structure_string": "Na1 N3\n1.0\n3.510305 0.520928 0.429894\n1.283673 3.309708 0.435055\n2.166003 1.739540 5.501096\nNa N\n1 3\ndirect\n0.001539 -0.009736 -0.001490 Na\n0.001524 -0.009705 0.498484 N\n0.817306 0.808214 0.721991 N\n0.185750 0.172366 0.274976 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.9295638480883697,
"density_atomic": 0.07149748326711958,
"volume": 55.94602519162417,
"volume_molar": 8.422870966661668,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.646214687500001,
"spacegroup": 12
},
{
"id": "jvasp-10677",
"created_at": "2022-09-04T14:37:00.496074Z",
"updated_at": "2022-09-04T14:37:00.496101Z",
"structure_string": "K4 U2 Te6\n1.0\n7.611638 0.000000 2.536267\n3.805819 6.945260 1.268134\n0.006666 0.000000 8.487902\nK U Te\n4 2 6\ndirect\n0.654260 0.691482 0.500000 K\n0.345741 0.308518 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.831809 0.336381 0.000000 U\n0.168191 0.663619 -0.000000 U\n0.206883 0.000000 0.787649 Te\n0.573558 0.365820 0.782485 Te\n0.939379 0.634180 0.782485 Te\n0.426443 0.634180 0.217514 Te\n0.060622 0.365820 0.217514 Te\n0.793117 0.000000 0.212350 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"U",
"Te"
],
"chemical_system": "K-Te-U",
"density": 5.175100539399803,
"density_atomic": 0.026750254570412652,
"volume": 448.59386172992544,
"volume_molar": 22.512461495079897,
"formula_full": "K4 U2 Te6",
"formula_reduced": "K2UTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.097910883333333,
"spacegroup": 12
},
{
"id": "jvasp-106760",
"created_at": "2022-09-04T14:37:00.552981Z",
"updated_at": "2022-09-04T14:37:00.553005Z",
"structure_string": "Pr2 Ge2 Pd2\n1.0\n4.470099 0.015982 3.645499\n2.203955 3.889038 3.645499\n0.017619 0.010309 7.564373\nPr Ge Pd\n2 2 2\ndirect\n0.534470 0.534471 0.704404 Pr\n0.465529 0.465530 0.295596 Pr\n0.840337 0.840337 0.111516 Ge\n0.159663 0.159663 0.888484 Ge\n0.181533 0.181533 0.284275 Pd\n0.818466 0.818467 0.715725 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Pr",
"density": 8.117835092966752,
"density_atomic": 0.045835957741235105,
"volume": 130.90159550876493,
"volume_molar": 13.138463897706105,
"formula_full": "Pr2 Ge2 Pd2",
"formula_reduced": "PrGePd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9387571666666664,
"spacegroup": 12
},
{
"id": "jvasp-107376",
"created_at": "2022-09-04T14:37:00.571664Z",
"updated_at": "2022-09-04T14:37:00.571688Z",
"structure_string": "Pd1 C1 N2\n1.0\n3.480918 -0.272312 -0.815474\n2.303649 0.908494 4.494005\n1.072018 0.422774 15.112961\nPd C N\n1 1 2\ndirect\n-0.000000 -0.000014 -0.000001 Pd\n0.000001 -0.000008 0.499992 C\n0.000003 0.654235 0.541538 N\n0.000002 0.345677 0.458474 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pd",
"C",
"N"
],
"chemical_system": "C-N-Pd",
"density": 4.927762889805643,
"density_atomic": 0.08105668105323255,
"volume": 49.34818386374678,
"volume_molar": 7.429542736946095,
"formula_full": "Pd1 C1 N2",
"formula_reduced": "PdCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.59151805,
"spacegroup": 12
},
{
"id": "jvasp-49911",
"created_at": "2022-09-04T14:37:00.697508Z",
"updated_at": "2022-09-04T14:37:00.697543Z",
"structure_string": "Nb4 N4 O4\n1.0\n3.906624 0.001820 -0.000305\n-0.003809 6.871877 -0.015811\n-1.951737 -2.019234 6.302924\nNb N O\n4 4 4\ndirect\n0.105969 0.718063 0.209704 Nb\n0.187055 0.312663 0.372374 Nb\n0.815004 0.690610 0.627908 Nb\n0.896074 0.285206 0.790577 Nb\n0.053300 0.362211 0.104958 N\n0.259634 0.647986 0.517258 N\n0.742423 0.355281 0.483025 N\n0.948752 0.641065 0.895327 N\n0.634504 0.708541 0.266929 O\n0.143142 0.010537 0.284251 O\n0.858931 0.992739 0.716025 O\n0.367558 0.294733 0.733360 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"N",
"O"
],
"chemical_system": "N-Nb-O",
"density": 4.828547448181545,
"density_atomic": 0.07097292091739636,
"volume": 169.07857031791752,
"volume_molar": 8.485124582950476,
"formula_full": "Nb4 N4 O4",
"formula_reduced": "NbNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.280675383333332,
"spacegroup": 12
},
{
"id": "jvasp-28443",
"created_at": "2022-09-04T14:37:01.189279Z",
"updated_at": "2022-09-04T14:37:01.189297Z",
"structure_string": "Ir2 I6\n1.0\n6.548853 -0.000000 -2.105545\n3.274426 -5.959717 -1.052772\n0.031539 -0.000000 -6.851942\nIr I\n2 6\ndirect\n0.166607 0.666786 -0.000000 Ir\n0.833393 0.333214 0.000001 Ir\n0.571008 0.351385 0.769032 I\n0.428992 0.648615 0.230968 I\n0.077608 0.351385 0.230967 I\n0.922393 0.648615 0.769033 I\n0.219889 -0.000000 0.766717 I\n0.780110 -0.000000 0.233284 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ir",
"I"
],
"chemical_system": "I-Ir",
"density": 7.125569820393098,
"density_atomic": 0.029959090122965784,
"volume": 267.03080658205397,
"volume_molar": 20.101213806168293,
"formula_full": "Ir2 I6",
"formula_reduced": "IrI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8806124812499998,
"spacegroup": 12
}
]
}