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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1285",
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"results": [
{
"id": "jvasp-98238",
"created_at": "2022-09-04T14:35:52.394191Z",
"updated_at": "2022-09-04T14:35:52.394210Z",
"structure_string": "Rb8 Ru4 O16\n1.0\n6.187962 0.000000 0.000000\n0.000000 8.096409 0.000000\n0.000000 0.000000 10.973314\nRb Ru O\n8 4 16\ndirect\n0.250000 0.490650 0.797430 Rb\n0.250000 0.990651 0.702569 Rb\n0.750000 0.009350 0.297430 Rb\n0.750000 0.509350 0.202570 Rb\n0.750000 0.344035 0.582384 Rb\n0.250000 0.655966 0.417616 Rb\n0.750000 0.844035 0.917616 Rb\n0.250000 0.155966 0.082384 Rb\n0.750000 0.780295 0.578274 Ru\n0.750000 0.280295 0.921725 Ru\n0.250000 0.219705 0.421725 Ru\n0.250000 0.719705 0.078274 Ru\n0.515074 0.698365 0.652134 O\n0.984925 0.698365 0.652134 O\n0.484926 0.301635 0.347865 O\n0.484926 0.801635 0.152135 O\n0.984925 0.198365 0.847865 O\n0.015074 0.301635 0.347865 O\n0.250000 -0.000054 0.421008 O\n0.250000 0.305094 0.573300 O\n0.250000 0.499946 0.078992 O\n0.750000 0.500054 0.921008 O\n0.250000 0.805094 0.926700 O\n0.750000 0.194906 0.073300 O\n0.015074 0.801635 0.152135 O\n0.750000 0.694907 0.426700 O\n0.750000 0.000054 0.578992 O\n0.515074 0.198365 0.847865 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Ru",
"O"
],
"chemical_system": "O-Rb-Ru",
"density": 4.059519375977229,
"density_atomic": 0.05093075892125855,
"volume": 549.7660076750353,
"volume_molar": 11.824172440293939,
"formula_full": "Rb8 Ru4 O16",
"formula_reduced": "Rb2RuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7840777857142855,
"spacegroup": 62
},
{
"id": "jvasp-97378",
"created_at": "2022-09-04T14:35:41.460458Z",
"updated_at": "2022-09-04T14:35:41.460491Z",
"structure_string": "Rb8 Pd4 I24\n1.0\n7.843872 0.000000 0.000000\n0.000000 12.306037 0.000000\n0.000000 0.000000 14.515626\nRb Pd I\n8 4 24\ndirect\n0.287652 0.007057 0.860461 Rb\n0.787652 0.492943 0.639540 Rb\n0.712348 0.507057 0.139539 Rb\n0.212348 0.992944 0.360461 Rb\n0.712348 0.992944 0.139539 Rb\n0.212348 0.507057 0.360461 Rb\n0.287652 0.492943 0.860461 Rb\n0.787652 0.007057 0.639540 Rb\n0.732724 0.750000 0.398702 Pd\n0.232724 0.750000 0.101298 Pd\n0.267276 0.250000 0.601299 Pd\n0.767276 0.250000 0.898702 Pd\n0.040616 0.250000 0.789568 I\n0.227940 0.531261 0.106261 I\n0.727940 0.968739 0.393739 I\n0.227940 0.968739 0.106261 I\n0.727940 0.531261 0.393739 I\n0.772059 0.468739 0.893739 I\n0.272060 0.031261 0.606261 I\n0.459383 0.750000 0.289568 I\n0.959383 0.750000 0.210432 I\n0.540616 0.250000 0.710432 I\n0.034815 0.750000 0.491618 I\n0.985436 0.250000 0.282738 I\n0.965185 0.250000 0.508382 I\n0.465185 0.250000 0.991618 I\n0.014563 0.750000 0.717263 I\n0.514563 0.750000 0.782738 I\n0.272060 0.468739 0.606261 I\n0.485437 0.250000 0.217262 I\n0.044700 0.750000 0.919285 I\n0.544699 0.750000 0.580715 I\n0.955300 0.250000 0.080715 I\n0.455300 0.250000 0.419285 I\n0.534815 0.750000 0.008382 I\n0.772059 0.031261 0.893739 I\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"I"
],
"chemical_system": "I-Pd-Rb",
"density": 4.924353202910906,
"density_atomic": 0.02569318927742448,
"volume": 1401.1495268760457,
"volume_molar": 23.438665768485972,
"formula_full": "Rb8 Pd4 I24",
"formula_reduced": "Rb2PdI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-88845",
"created_at": "2022-09-04T14:36:04.711657Z",
"updated_at": "2022-09-04T14:36:04.711685Z",
"structure_string": "Rb8 Pb4 O12\n1.0\n6.131066 0.000000 0.000000\n0.000000 7.363373 0.000000\n0.000000 0.000000 10.960471\nRb Pb O\n8 4 12\ndirect\n0.766675 0.393675 0.913721 Rb\n0.733326 0.893674 0.086279 Rb\n0.266675 0.106325 0.913721 Rb\n0.266675 0.106325 0.586279 Rb\n0.233325 0.606325 0.413721 Rb\n0.733326 0.893674 0.413721 Rb\n0.233325 0.606325 0.086279 Rb\n0.766675 0.393675 0.586279 Rb\n0.764516 0.345254 0.250000 Pb\n0.235484 0.654745 0.750000 Pb\n0.264516 0.154746 0.250000 Pb\n0.735485 0.845254 0.750000 Pb\n0.504888 0.273624 0.118494 O\n0.004888 0.226376 0.381506 O\n0.154482 0.383662 0.750000 O\n0.495112 0.726376 0.881506 O\n0.995113 0.773624 0.881506 O\n0.004888 0.226376 0.118494 O\n0.845519 0.616337 0.250000 O\n0.495112 0.726376 0.618494 O\n0.345518 0.883662 0.250000 O\n0.654482 0.116338 0.750000 O\n0.504888 0.273624 0.381506 O\n0.995113 0.773624 0.618494 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Rb",
"density": 5.720224349773815,
"density_atomic": 0.04850307047930282,
"volume": 494.81403471644654,
"volume_molar": 12.415999029524865,
"formula_full": "Rb8 Pb4 O12",
"formula_reduced": "Rb2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8065468866666665,
"spacegroup": 62
},
{
"id": "jvasp-58890",
"created_at": "2022-09-04T14:37:02.015414Z",
"updated_at": "2022-09-04T14:37:02.015438Z",
"structure_string": "Rb8 Pb2 Br12\n1.0\n9.398569 0.014615 0.073483\n0.073025 9.398297 0.073483\n0.014706 0.014615 9.398845\nRb Pb Br\n8 2 12\ndirect\n0.633285 0.866717 0.250000 Rb\n0.250001 0.633285 0.866716 Rb\n0.866716 0.250001 0.633284 Rb\n0.366716 0.133285 0.750000 Rb\n0.750000 0.366716 0.133284 Rb\n0.133285 0.750000 0.366716 Rb\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500001 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.940809 0.072770 0.308498 Br\n0.572770 0.440809 0.808498 Br\n0.191502 0.427231 0.559192 Br\n0.559192 0.191503 0.427230 Br\n0.427231 0.559192 0.191502 Br\n0.927231 0.691503 0.059191 Br\n0.059192 0.927231 0.691502 Br\n0.691502 0.059193 0.927231 Br\n0.808499 0.572771 0.440808 Br\n0.440809 0.808499 0.572770 Br\n0.308499 0.940809 0.072769 Br\n0.072770 0.308499 0.940809 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.114449789268518,
"density_atomic": 0.026500440029704597,
"volume": 830.1748942787361,
"volume_molar": 22.724682130748487,
"formula_full": "Rb8 Pb2 Br12",
"formula_reduced": "Rb4PbBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-13406",
"created_at": "2022-09-04T14:37:09.392729Z",
"updated_at": "2022-09-04T14:37:09.392748Z",
"structure_string": "Rb8 Pb2 Br12\n1.0\n9.398571 0.014615 0.073483\n0.073025 9.398299 0.073483\n0.014706 0.014615 9.398847\nRb Pb Br\n8 2 12\ndirect\n0.633285 0.866716 0.250000 Rb\n0.250001 0.633285 0.866715 Rb\n0.866715 0.250001 0.633285 Rb\n0.366716 0.133285 0.750000 Rb\n0.750000 0.366716 0.133285 Rb\n0.133285 0.750000 0.366715 Rb\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500001 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.940809 0.072770 0.308498 Br\n0.572769 0.440810 0.808498 Br\n0.191502 0.427231 0.559191 Br\n0.559191 0.191502 0.427231 Br\n0.427231 0.559191 0.191501 Br\n0.927231 0.691502 0.059190 Br\n0.059191 0.927232 0.691502 Br\n0.691502 0.059192 0.927231 Br\n0.808499 0.572770 0.440809 Br\n0.440810 0.808499 0.572769 Br\n0.308499 0.940810 0.072769 Br\n0.072769 0.308499 0.940810 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.114447162562022,
"density_atomic": 0.02650042311155477,
"volume": 830.1754242711511,
"volume_molar": 22.72469663842542,
"formula_full": "Rb8 Pb2 Br12",
"formula_reduced": "Rb4PbBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.551115123125784e-16,
"spacegroup": 167
},
{
"id": "jvasp-35185",
"created_at": "2022-09-04T14:37:56.560897Z",
"updated_at": "2022-09-04T14:37:56.560917Z",
"structure_string": "Rb8 P1 O3\n1.0\n7.116913 -0.000000 0.000000\n-0.000000 7.116913 -0.000000\n0.000000 -0.000000 7.116913\nRb P O\n8 1 3\ndirect\n0.263683 0.263683 0.263683 Rb\n0.736317 0.736317 0.263683 Rb\n0.736317 0.263683 0.736317 Rb\n0.263683 0.736317 0.736317 Rb\n0.263683 0.263683 0.736317 Rb\n0.736317 0.736317 0.736317 Rb\n0.736317 0.263683 0.263683 Rb\n0.263683 0.736317 0.263683 Rb\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"P",
"O"
],
"chemical_system": "O-P-Rb",
"density": 3.51346839413476,
"density_atomic": 0.03328942359567523,
"volume": 360.4748506837761,
"volume_molar": 18.090252427147348,
"formula_full": "Rb8 P1 O3",
"formula_reduced": "Rb8PO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.2083646666666666,
"spacegroup": 221
},
{
"id": "jvasp-50259",
"created_at": "2022-09-04T14:37:00.233785Z",
"updated_at": "2022-09-04T14:37:00.233809Z",
"structure_string": "Rb8 O4\n1.0\n4.614789 0.000000 0.000000\n0.000000 7.173967 0.000000\n0.000000 0.000000 8.636591\nRb O\n8 4\ndirect\n0.750000 0.988328 0.160408 Rb\n0.750000 0.860333 0.585303 Rb\n0.250000 0.639668 0.085303 Rb\n0.250000 0.511672 0.660408 Rb\n0.750000 0.488328 0.339592 Rb\n0.750000 0.360333 0.914696 Rb\n0.250000 0.139668 0.414696 Rb\n0.250000 0.011672 0.839592 Rb\n0.250000 0.742536 0.404011 O\n0.750000 0.757464 0.904011 O\n0.250000 0.242536 0.095989 O\n0.750000 0.257464 0.595989 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Rb",
"density": 4.342563066768136,
"density_atomic": 0.04196890799950636,
"volume": 285.92595261571125,
"volume_molar": 14.34905277990753,
"formula_full": "Rb8 O4",
"formula_reduced": "Rb2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0097366666666666,
"spacegroup": 62
},
{
"id": "jvasp-20780",
"created_at": "2022-09-04T14:37:07.505212Z",
"updated_at": "2022-09-04T14:37:07.505246Z",
"structure_string": "Rb8 O12\n1.0\n7.523704 0.000000 -2.660031\n-3.761852 6.515718 -2.660031\n-0.000000 -0.000000 7.980093\nRb O\n8 12\ndirect\n0.607472 0.607472 0.607472 Rb\n0.500000 0.000000 0.392528 Rb\n0.000000 0.392528 0.500000 Rb\n0.500000 0.000000 0.892527 Rb\n0.000000 0.892528 0.500000 Rb\n0.892528 0.500000 0.000000 Rb\n0.107472 0.107472 0.107472 Rb\n0.392528 0.500000 0.000000 Rb\n0.750000 0.798628 0.048628 O\n0.750000 0.951373 0.201372 O\n0.250000 0.548628 0.298628 O\n0.201373 0.750000 0.951372 O\n0.951372 0.201372 0.750000 O\n0.250000 0.701373 0.451372 O\n0.701372 0.451372 0.250000 O\n0.798627 0.048628 0.750000 O\n0.048628 0.750000 0.798628 O\n0.451372 0.250000 0.701372 O\n0.548628 0.298628 0.250000 O\n0.298628 0.250000 0.548628 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "O-Rb",
"density": 3.7172345956394897,
"density_atomic": 0.051124380933000556,
"volume": 391.20278104120945,
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"formula_full": "Rb8 O12",
"formula_reduced": "Rb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0586753999999996,
"spacegroup": 220
},
{
"id": "jvasp-35192",
"created_at": "2022-09-04T14:37:36.306821Z",
"updated_at": "2022-09-04T14:37:36.306856Z",
"structure_string": "Rb8 N3 O1\n1.0\n6.978809 -0.000000 0.000000\n0.000000 6.978809 0.000000\n-0.000000 -0.000000 6.978809\nRb N O\n8 3 1\ndirect\n0.252578 0.747422 0.252578 Rb\n0.747422 0.252578 0.252578 Rb\n0.747422 0.747422 0.747422 Rb\n0.252578 0.252578 0.747422 Rb\n0.252578 0.747422 0.747422 Rb\n0.747422 0.252578 0.747422 Rb\n0.747422 0.747422 0.252578 Rb\n0.252578 0.252578 0.252578 Rb\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"N",
"O"
],
"chemical_system": "N-O-Rb",
"density": 3.6238455739314617,
"density_atomic": 0.03530508883714828,
"volume": 339.89434371210274,
"volume_molar": 17.057429844684197,
"formula_full": "Rb8 N3 O1",
"formula_reduced": "Rb8N3O",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.0673111041666663,
"spacegroup": 221
},
{
"id": "jvasp-35183",
"created_at": "2022-09-04T14:37:56.101395Z",
"updated_at": "2022-09-04T14:37:56.101414Z",
"structure_string": "Rb8 N1 O3\n1.0\n6.838776 0.000000 -0.000000\n0.000000 6.838776 0.000000\n-0.000000 0.000000 6.838776\nRb N O\n8 1 3\ndirect\n0.253262 0.253262 0.253262 Rb\n0.746739 0.746739 0.253262 Rb\n0.746739 0.253262 0.746739 Rb\n0.253262 0.746739 0.746739 Rb\n0.253262 0.253262 0.746739 Rb\n0.746739 0.746739 0.746739 Rb\n0.746739 0.253262 0.253262 Rb\n0.253262 0.746739 0.253262 Rb\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"N",
"O"
],
"chemical_system": "N-O-Rb",
"density": 3.8717352311084814,
"density_atomic": 0.037518555503040715,
"volume": 319.8417380175378,
"volume_molar": 16.051099727205468,
"formula_full": "Rb8 N1 O3",
"formula_reduced": "Rb8NO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.4398836458333332,
"spacegroup": 221
},
{
"id": "jvasp-96923",
"created_at": "2022-09-04T14:36:13.077885Z",
"updated_at": "2022-09-04T14:36:13.077909Z",
"structure_string": "Rb8 Mn4 O16\n1.0\n6.016144 -0.000000 0.000000\n0.000000 7.988886 0.000000\n0.000000 0.000000 10.644667\nRb Mn O\n8 4 16\ndirect\n0.250000 0.482711 0.694164 Rb\n0.250000 0.982711 0.805836 Rb\n0.749999 0.017289 0.194164 Rb\n0.749999 0.517290 0.305836 Rb\n0.749999 0.834332 0.591135 Rb\n0.250000 0.165669 0.408865 Rb\n0.749999 0.334331 0.908865 Rb\n0.250000 0.665669 0.091135 Rb\n0.749999 0.764766 0.920735 Mn\n0.749999 0.264766 0.579265 Mn\n0.250000 0.235235 0.079265 Mn\n0.250000 0.735235 0.420735 Mn\n0.975000 0.688596 0.850803 O\n0.524999 0.688596 0.850803 O\n0.025000 0.311405 0.149197 O\n0.025000 0.811405 0.350803 O\n0.524999 0.188596 0.649198 O\n0.475000 0.311405 0.149197 O\n0.250000 0.528045 0.412169 O\n0.250000 0.798074 0.569849 O\n0.250000 0.028045 0.087831 O\n0.749999 0.971956 0.912170 O\n0.250000 0.298074 0.930151 O\n0.749999 0.701927 0.069849 O\n0.475000 0.811405 0.350803 O\n0.749999 0.201927 0.430151 O\n0.749999 0.471956 0.587831 O\n0.975000 0.188596 0.649198 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 3.763376754750756,
"density_atomic": 0.054729503060909575,
"volume": 511.607057144996,
"volume_molar": 11.003463256916179,
"formula_full": "Rb8 Mn4 O16",
"formula_reduced": "Rb2MnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6866473201970442,
"spacegroup": 62
},
{
"id": "jvasp-50452",
"created_at": "2022-09-04T14:37:16.136776Z",
"updated_at": "2022-09-04T14:37:16.136802Z",
"structure_string": "Rb8 Mg4 O8\n1.0\n5.533071 0.000000 0.000000\n-0.000000 6.289143 0.000000\n0.000000 0.000000 10.985222\nRb Mg O\n8 4 8\ndirect\n0.499850 0.637175 0.155026 Rb\n0.999849 0.362824 0.155026 Rb\n0.999849 0.862824 0.344974 Rb\n0.499850 0.137175 0.344974 Rb\n0.500150 0.862824 0.655026 Rb\n0.000150 0.137175 0.655026 Rb\n0.000150 0.637175 0.844974 Rb\n0.500150 0.362824 0.844974 Rb\n0.750000 0.499964 0.500000 Mg\n0.250000 0.500035 0.500000 Mg\n0.250000 0.000035 0.000000 Mg\n0.750000 0.999964 0.000000 Mg\n0.000030 0.829299 0.091178 O\n0.500030 0.170700 0.091178 O\n0.500030 0.670700 0.408822 O\n0.000030 0.329299 0.408822 O\n-0.000030 0.670700 0.591178 O\n0.499970 0.329299 0.591178 O\n0.499970 0.829299 0.908822 O\n-0.000030 0.170700 0.908822 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"O"
],
"chemical_system": "Mg-O-Rb",
"density": 3.948445719078847,
"density_atomic": 0.052319483134811655,
"volume": 382.2667733254548,
"volume_molar": 11.510321584184508,
"formula_full": "Rb8 Mg4 O8",
"formula_reduced": "Rb2MgO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0667132099999995,
"spacegroup": 72
}
]
}