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=1073",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1071",
"results": [
{
"id": "jvasp-23824",
"created_at": "2022-09-04T14:37:34.061334Z",
"updated_at": "2022-09-04T14:37:34.061346Z",
"structure_string": "Sc12 P8\n1.0\n3.780542 -0.000000 0.000000\n-0.000000 6.938226 0.000000\n0.000000 0.000000 14.383788\nSc P\n12 8\ndirect\n0.750000 0.135412 0.932434 Sc\n0.750000 0.993041 0.395307 Sc\n0.250000 0.006960 0.604693 Sc\n0.250000 0.506960 0.895307 Sc\n0.750000 0.840229 0.777641 Sc\n0.250000 0.159771 0.222360 Sc\n0.750000 0.493041 0.104693 Sc\n0.250000 0.659772 0.277641 Sc\n0.250000 0.364589 0.432434 Sc\n0.750000 0.635412 0.567567 Sc\n0.250000 0.864589 0.067566 Sc\n0.750000 0.340229 0.722360 Sc\n0.250000 0.130303 0.794700 P\n0.250000 0.758938 0.457417 P\n0.750000 0.241062 0.542583 P\n0.250000 0.258938 0.042583 P\n0.750000 0.741063 0.957417 P\n0.250000 0.630303 0.705301 P\n0.750000 0.369697 0.294700 P\n0.750000 0.869698 0.205300 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.4649109244638683,
"density_atomic": 0.0530095616447476,
"volume": 377.29042420749164,
"volume_molar": 11.360480209888133,
"formula_full": "Sc12 P8",
"formula_reduced": "Sc3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.66061335,
"spacegroup": 62
},
{
"id": "jvasp-23522",
"created_at": "2022-09-04T14:37:34.193802Z",
"updated_at": "2022-09-04T14:37:34.193829Z",
"structure_string": "Nd4 Ge4 Rh4\n1.0\n4.470547 0.000000 0.000000\n0.000000 7.206660 0.000000\n0.000000 0.000000 7.520803\nNd Ge Rh\n4 4 4\ndirect\n0.250000 0.489753 0.691255 Nd\n0.750000 0.510247 0.308744 Nd\n0.250000 0.989753 0.808744 Nd\n0.750000 0.010247 0.191256 Nd\n0.250000 0.300758 0.098791 Ge\n0.750000 0.699242 0.901208 Ge\n0.250000 0.800758 0.401208 Ge\n0.750000 0.199242 0.598791 Ge\n0.750000 0.839486 0.576308 Rh\n0.250000 0.160514 0.423692 Rh\n0.750000 0.339486 0.923692 Rh\n0.250000 0.660514 0.076308 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Rh"
],
"chemical_system": "Ge-Nd-Rh",
"density": 8.76620578641624,
"density_atomic": 0.04952475490302339,
"volume": 242.30306689044156,
"volume_molar": 12.159859794949456,
"formula_full": "Nd4 Ge4 Rh4",
"formula_reduced": "NdGeRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2803268166666666,
"spacegroup": 62
},
{
"id": "jvasp-21683",
"created_at": "2022-09-04T14:37:34.249491Z",
"updated_at": "2022-09-04T14:37:34.249518Z",
"structure_string": "Tb4 F12\n1.0\n4.379917 0.000000 0.000000\n-0.000000 6.473404 0.000000\n0.000000 0.000000 6.921688\nTb F\n4 12\ndirect\n0.935309 0.630713 0.750000 Tb\n0.435309 0.869286 0.250000 Tb\n0.564691 0.130713 0.750000 Tb\n0.064691 0.369287 0.250000 Tb\n0.384088 0.165721 0.436942 F\n0.884089 0.334278 0.563059 F\n0.115912 0.665721 0.063059 F\n0.615912 0.834278 0.936942 F\n0.583212 0.520815 0.250000 F\n0.083211 0.979184 0.750000 F\n0.916789 0.020815 0.250000 F\n0.416789 0.479185 0.750000 F\n0.384088 0.165721 0.063059 F\n0.884089 0.334278 0.936942 F\n0.115912 0.665721 0.436942 F\n0.615912 0.834278 0.563059 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"F"
],
"chemical_system": "F-Tb",
"density": 7.307897951116305,
"density_atomic": 0.08152848476879665,
"volume": 196.25042763119853,
"volume_molar": 7.386548121282944,
"formula_full": "Tb4 F12",
"formula_reduced": "TbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-23376",
"created_at": "2022-09-04T14:37:34.261439Z",
"updated_at": "2022-09-04T14:37:34.261463Z",
"structure_string": "Nb4 Cr4 P4\n1.0\n3.609200 0.000000 0.000000\n-0.000000 6.199578 0.000000\n0.000000 0.000000 7.345218\nNb Cr P\n4 4 4\ndirect\n0.250000 0.534398 0.672608 Nb\n0.250000 0.034398 0.827392 Nb\n0.750000 0.965602 0.172608 Nb\n0.750000 0.465602 0.327392 Nb\n0.750000 0.367899 0.949333 Cr\n0.250000 0.132101 0.449333 Cr\n0.750000 0.867900 0.550667 Cr\n0.250000 0.632101 0.050667 Cr\n0.250000 0.263335 0.136307 P\n0.250000 0.763336 0.363693 P\n0.750000 0.736665 0.863694 P\n0.750000 0.236665 0.636307 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"P"
],
"chemical_system": "Cr-Nb-P",
"density": 7.107854010586854,
"density_atomic": 0.07301355239568438,
"volume": 164.35304962246002,
"volume_molar": 8.247976659680992,
"formula_full": "Nb4 Cr4 P4",
"formula_reduced": "NbCrP",
"formula_anonymous": "ABC",
"energy_above_hull": 3.705980766666667,
"spacegroup": 62
},
{
"id": "jvasp-23384",
"created_at": "2022-09-04T14:37:34.456081Z",
"updated_at": "2022-09-04T14:37:34.456107Z",
"structure_string": "Hf4 Mn4 Si4\n1.0\n3.763436 -0.000000 0.000000\n-0.000000 6.403138 0.000000\n0.000000 0.000000 7.426394\nHf Mn Si\n4 4 4\ndirect\n0.250000 0.519620 0.683943 Hf\n0.750001 0.480380 0.316057 Hf\n0.250000 0.019620 0.816057 Hf\n0.750001 0.980380 0.183943 Hf\n0.750001 0.846386 0.565198 Mn\n0.250000 0.153615 0.434802 Mn\n0.750001 0.346385 0.934801 Mn\n0.250000 0.653615 0.065198 Mn\n0.250000 0.283157 0.117098 Si\n0.750001 0.716843 0.882901 Si\n0.250000 0.783157 0.382901 Si\n0.750001 0.216843 0.617098 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Si"
],
"chemical_system": "Hf-Mn-Si",
"density": 9.706169996391694,
"density_atomic": 0.06705418105088118,
"volume": 178.95975779488407,
"volume_molar": 8.98100709846916,
"formula_full": "Hf4 Mn4 Si4",
"formula_reduced": "HfMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 3.6165862804597695,
"spacegroup": 62
},
{
"id": "jvasp-59790",
"created_at": "2022-09-04T14:37:34.640005Z",
"updated_at": "2022-09-04T14:37:34.640026Z",
"structure_string": "Nd4 Sn4 Pd4\n1.0\n4.720294 0.000000 0.000000\n0.000000 7.496216 0.000000\n0.000000 0.000000 8.023893\nNd Sn Pd\n4 4 4\ndirect\n0.250000 0.488738 0.702797 Nd\n0.749999 0.511262 0.297203 Nd\n0.250000 0.988738 0.797203 Nd\n0.749999 0.011262 0.202797 Nd\n0.250000 0.809718 0.412198 Sn\n0.749999 0.690283 0.912198 Sn\n0.250000 0.309717 0.087802 Sn\n0.749999 0.190283 0.587802 Sn\n0.749999 0.298426 0.916093 Pd\n0.250000 0.201574 0.416094 Pd\n0.749999 0.798426 0.583906 Pd\n0.250000 0.701575 0.083906 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"Pd"
],
"chemical_system": "Nd-Pd-Sn",
"density": 8.641254376381744,
"density_atomic": 0.04226539928488385,
"volume": 283.9201853770675,
"volume_molar": 14.248394341216619,
"formula_full": "Nd4 Sn4 Pd4",
"formula_reduced": "NdSnPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7989862999999998,
"spacegroup": 62
},
{
"id": "jvasp-22929",
"created_at": "2022-09-04T14:37:34.497695Z",
"updated_at": "2022-09-04T14:37:34.497715Z",
"structure_string": "Y8 Ti4 O20\n1.0\n3.700910 -0.000000 0.000000\n-0.000000 10.384073 0.000000\n0.000000 0.000000 11.296589\nY Ti O\n8 4 20\ndirect\n0.250000 0.635959 0.056637 Y\n0.750000 0.364040 0.943363 Y\n0.250000 0.135960 0.443363 Y\n0.750000 0.864040 0.556637 Y\n0.250000 0.616472 0.723568 Y\n0.750000 0.383528 0.276432 Y\n0.250000 0.116472 0.776432 Y\n0.750000 0.883528 0.223568 Y\n0.750000 0.827553 0.881777 Ti\n0.250000 0.172446 0.118223 Ti\n0.250000 0.672446 0.381777 Ti\n0.750000 0.327554 0.618223 Ti\n0.250000 0.254719 0.269938 O\n0.250000 0.224846 0.956040 O\n0.750000 0.775154 0.043960 O\n0.250000 0.994372 0.605381 O\n0.750000 0.005628 0.394619 O\n0.250000 0.494372 0.894619 O\n0.750000 0.505628 0.105381 O\n0.750000 0.745281 0.730062 O\n0.750000 0.245281 0.769938 O\n0.750000 0.734879 0.384283 O\n0.750000 0.495742 0.653148 O\n0.250000 0.504258 0.346852 O\n0.750000 0.995741 0.846852 O\n0.250000 0.004258 0.153148 O\n0.750000 0.275154 0.456040 O\n0.250000 0.265120 0.615717 O\n0.750000 0.234880 0.115717 O\n0.250000 0.765120 0.884283 O\n0.250000 0.754718 0.230062 O\n0.250000 0.724846 0.543960 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Y",
"Ti",
"O"
],
"chemical_system": "O-Ti-Y",
"density": 4.6767743865086455,
"density_atomic": 0.07370999701461554,
"volume": 434.1337850502815,
"volume_molar": 8.170046132013685,
"formula_full": "Y8 Ti4 O20",
"formula_reduced": "Y2TiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.6965108416666665,
"spacegroup": 62
},
{
"id": "jvasp-23556",
"created_at": "2022-09-04T14:37:34.508281Z",
"updated_at": "2022-09-04T14:37:34.508314Z",
"structure_string": "Ti4 Co4 Si4\n1.0\n3.724126 -0.000000 0.000000\n-0.000000 6.134619 0.000000\n0.000000 0.000000 6.890021\nTi Co Si\n4 4 4\ndirect\n0.250000 0.014205 0.807234 Ti\n0.750001 0.485795 0.307234 Ti\n0.250000 0.514206 0.692765 Ti\n0.750001 0.985795 0.192765 Ti\n0.250000 0.645589 0.066691 Co\n0.750001 0.354411 0.933309 Co\n0.250000 0.145589 0.433309 Co\n0.750001 0.854411 0.566691 Co\n0.750001 0.727503 0.887744 Si\n0.250000 0.772497 0.387744 Si\n0.750001 0.227503 0.612256 Si\n0.250000 0.272497 0.112256 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Si"
],
"chemical_system": "Co-Si-Ti",
"density": 5.691706218693224,
"density_atomic": 0.07623400544894642,
"volume": 157.41006824095513,
"volume_molar": 7.899546566568644,
"formula_full": "Ti4 Co4 Si4",
"formula_reduced": "TiCoSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7769526111111107,
"spacegroup": 62
},
{
"id": "jvasp-23546",
"created_at": "2022-09-04T14:37:34.513575Z",
"updated_at": "2022-09-04T14:37:34.513599Z",
"structure_string": "U4 Rh4 S12\n1.0\n6.047677 0.000000 0.000000\n0.000000 7.108998 0.000000\n0.000000 0.000000 8.391352\nU Rh S\n4 4 12\ndirect\n0.934553 0.371606 0.250000 U\n0.434552 0.128394 0.750000 U\n0.565448 0.871606 0.250000 U\n0.065448 0.628394 0.750000 U\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.658316 0.174290 0.443022 S\n0.158316 0.325710 0.556978 S\n0.828086 0.939053 0.750000 S\n0.328085 0.560947 0.250000 S\n0.671915 0.439053 0.750000 S\n0.158316 0.325710 0.943022 S\n0.341684 0.825710 0.556978 S\n0.658316 0.174290 0.056978 S\n0.841684 0.674290 0.056978 S\n0.341684 0.825710 0.943022 S\n0.171915 0.060947 0.250000 S\n0.841684 0.674290 0.443022 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Rh",
"S"
],
"chemical_system": "Rh-S-U",
"density": 8.048041299336406,
"density_atomic": 0.05543717312871501,
"volume": 360.76875625608915,
"volume_molar": 10.863001159921497,
"formula_full": "U4 Rh4 S12",
"formula_reduced": "URhS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.8776158,
"spacegroup": 62
},
{
"id": "jvasp-23765",
"created_at": "2022-09-04T14:37:34.718250Z",
"updated_at": "2022-09-04T14:37:34.718275Z",
"structure_string": "Nb4 Ge4 Ir4\n1.0\n3.939227 -0.000000 0.000000\n-0.000000 6.512599 0.000000\n0.000000 0.000000 7.477120\nNb Ge Ir\n4 4 4\ndirect\n0.750001 0.526363 0.820179 Nb\n0.250000 0.973637 0.320179 Nb\n0.750001 0.026363 0.679821 Nb\n0.250000 0.473637 0.179821 Nb\n0.250000 0.242288 0.877910 Ge\n0.250000 0.742288 0.622090 Ge\n0.750001 0.757712 0.122090 Ge\n0.750001 0.257712 0.377910 Ge\n0.250000 0.855822 0.937971 Ir\n0.250000 0.355822 0.562029 Ir\n0.750001 0.644178 0.437971 Ir\n0.750001 0.144178 0.062029 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Nb",
"density": 12.388116385300133,
"density_atomic": 0.06255781179950923,
"volume": 191.8225662761136,
"volume_molar": 9.626520792159877,
"formula_full": "Nb4 Ge4 Ir4",
"formula_reduced": "NbGeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.068335483333332,
"spacegroup": 62
},
{
"id": "jvasp-23771",
"created_at": "2022-09-04T14:37:34.962246Z",
"updated_at": "2022-09-04T14:37:34.962260Z",
"structure_string": "Sc4 Si8 Rh4\n1.0\n4.055996 -0.000000 0.000000\n0.000000 6.362651 0.000000\n0.000000 0.000000 9.600618\nSc Si Rh\n4 8 4\ndirect\n0.250000 0.736823 0.816625 Sc\n0.250000 0.236823 0.683376 Sc\n0.750001 0.263177 0.183376 Sc\n0.750001 0.763177 0.316624 Sc\n0.250000 0.733723 0.526789 Si\n0.750001 0.266277 0.473211 Si\n0.250000 0.233723 0.973211 Si\n0.750001 0.766277 0.026789 Si\n0.250000 0.459166 0.340253 Si\n0.750001 0.040834 0.840253 Si\n0.250000 0.959166 0.159747 Si\n0.750001 0.540834 0.659747 Si\n0.750001 0.414319 0.901581 Rh\n0.250000 0.585681 0.098419 Rh\n0.750001 0.914319 0.598419 Rh\n0.250000 0.085681 0.401581 Rh\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Rh"
],
"chemical_system": "Rh-Sc-Si",
"density": 5.469825131977789,
"density_atomic": 0.06457808652232999,
"volume": 247.76206390797094,
"volume_molar": 9.32536264901198,
"formula_full": "Sc4 Si8 Rh4",
"formula_reduced": "ScSi2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7226963625,
"spacegroup": 62
},
{
"id": "jvasp-5254",
"created_at": "2022-09-04T14:37:35.022005Z",
"updated_at": "2022-09-04T14:37:35.022033Z",
"structure_string": "Bi4 S4 Br4\n1.0\n4.093339 0.000000 0.000000\n0.000000 8.267740 0.000000\n0.000000 0.000000 9.879506\nBi S Br\n4 4 4\ndirect\n0.750000 0.361016 0.632451 Bi\n0.250000 0.638984 0.367549 Bi\n0.750000 0.861016 0.867549 Bi\n0.250000 0.138984 0.132451 Bi\n0.250000 0.333028 0.447341 S\n0.750000 0.166972 0.947342 S\n0.250000 0.833028 0.052659 S\n0.750000 0.666972 0.552659 S\n0.750000 0.489331 0.173587 Br\n0.250000 0.010669 0.673588 Br\n0.750000 0.989331 0.326413 Br\n0.250000 0.510668 0.826413 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-S",
"density": 6.375964694892175,
"density_atomic": 0.03589066396762259,
"volume": 334.3487880532204,
"volume_molar": 16.779128871599166,
"formula_full": "Bi4 S4 Br4",
"formula_reduced": "BiSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5994728016666667,
"spacegroup": 62
}
]
}