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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4336",
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"results": [
{
"id": "jvasp-123552",
"created_at": "2022-09-04T14:38:51.748319Z",
"updated_at": "2022-09-04T14:38:51.748335Z",
"structure_string": "As1 P3\n1.0\n3.275099 -0.000000 -1.048728\n-0.021908 4.518102 -0.068418\n0.011055 -0.086798 5.672830\nAs P\n1 3\ndirect\n0.390432 0.914058 0.780867 As\n0.604271 0.100649 0.208541 P\n0.102748 0.430536 0.205495 P\n0.902546 0.554755 0.805095 P\n",
"nsites": 4,
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"elements": [
"As",
"P"
],
"chemical_system": "As-P",
"density": 3.319034510627653,
"density_atomic": 0.04763429298327189,
"volume": 83.97311578456117,
"volume_molar": 12.64244808276013,
"formula_full": "As1 P3",
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},
{
"id": "jvasp-119588",
"created_at": "2022-09-04T14:38:51.754848Z",
"updated_at": "2022-09-04T14:38:51.754871Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.812718 0.101589 -0.278694\n-0.133046 5.675239 0.686121\n0.007166 -0.103930 14.368233\nLi Mn Co O\n8 2 4 14\ndirect\n0.998594 0.495028 0.997142 Li\n0.575117 0.213727 0.150027 Li\n0.153546 0.940293 0.306943 Li\n0.424509 0.783142 0.849061 Li\n0.854246 0.075529 0.708496 Li\n0.277971 0.351143 0.556342 Li\n0.715377 0.641596 0.430859 Li\n0.715354 0.146286 0.430765 Li\n-0.000915 -0.002645 0.998123 Mn\n0.572574 0.713811 0.144950 Mn\n0.856629 0.570083 0.713349 Co\n0.428119 0.284563 0.856198 Co\n0.144923 0.424727 0.289622 Co\n0.284153 0.862645 0.568615 Co\n0.790135 0.625802 0.580015 O\n0.497427 0.231718 0.995260 O\n0.067683 0.951887 0.135653 O\n0.638365 0.668633 0.277042 O\n0.925305 0.512816 0.851070 O\n0.353932 0.799184 0.708448 O\n0.786170 0.083556 0.573129 O\n0.208759 0.400902 0.417470 O\n0.502039 0.760508 0.003553 O\n0.072931 0.483272 0.145204 O\n0.643337 0.206027 0.285953 O\n0.931668 0.048348 0.862793 O\n0.361489 0.339747 0.722624 O\n0.220568 0.887675 0.441295 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.51796346018511,
"density_atomic": 0.12186594759071959,
"volume": 229.76065548709747,
"volume_molar": 4.9416107444755974,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5583631100985222,
"spacegroup": 8
},
{
"id": "jvasp-123554",
"created_at": "2022-09-04T14:38:51.813148Z",
"updated_at": "2022-09-04T14:38:51.813185Z",
"structure_string": "B1 P3\n1.0\n3.090879 -0.000000 -0.989738\n-0.023917 4.709834 -0.074692\n-0.028787 -0.054626 5.231262\nB P\n1 3\ndirect\n0.440320 0.836319 0.880645 B\n0.581480 0.106883 0.162959 P\n0.092734 0.420317 0.185468 P\n0.885462 0.636477 0.770927 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"P"
],
"chemical_system": "B-P",
"density": 2.2662841020607125,
"density_atomic": 0.052627325187748125,
"volume": 76.00614292537173,
"volume_molar": 11.442992283031668,
"formula_full": "B1 P3",
"formula_reduced": "BP3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.394822270833334,
"spacegroup": 8
},
{
"id": "jvasp-118104",
"created_at": "2022-09-04T14:38:51.900444Z",
"updated_at": "2022-09-04T14:38:51.900469Z",
"structure_string": "Cl2 O2\n1.0\n4.266068 0.152181 -0.242044\n0.602222 -3.287246 -0.098045\n-1.408353 -3.790752 -4.571041\nCl O\n2 2\ndirect\n0.001999 0.232804 0.069333 Cl\n0.502055 0.232958 0.569387 Cl\n0.236144 0.098987 0.722206 O\n0.736042 0.099035 0.222097 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.643932477276902,
"density_atomic": 0.061890732185862475,
"volume": 64.63003197292451,
"volume_molar": 9.730278746606297,
"formula_full": "Cl2 O2",
"formula_reduced": "ClO",
"formula_anonymous": "AB",
"energy_above_hull": 0.99210878375,
"spacegroup": 8
},
{
"id": "jvasp-123613",
"created_at": "2022-09-04T14:38:52.096510Z",
"updated_at": "2022-09-04T14:38:52.096534Z",
"structure_string": "P3 Ru1\n1.0\n2.995789 -0.000000 -0.959289\n-0.226217 3.577999 -0.706459\n0.223561 -0.800856 5.855621\nP Ru\n3 1\ndirect\n0.586527 0.125317 0.173054 P\n0.138476 0.573807 0.276951 P\n0.908799 0.423933 0.817600 P\n0.366196 0.876941 0.732394 Ru\n",
"nsites": 4,
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"elements": [
"P",
"Ru"
],
"chemical_system": "P-Ru",
"density": 5.2239063078799175,
"density_atomic": 0.06486703555122852,
"volume": 61.66460307625764,
"volume_molar": 9.283822990868813,
"formula_full": "P3 Ru1",
"formula_reduced": "P3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3346567500000006,
"spacegroup": 8
},
{
"id": "jvasp-123618",
"created_at": "2022-09-04T14:38:52.242118Z",
"updated_at": "2022-09-04T14:38:52.242143Z",
"structure_string": "Si1 P3\n1.0\n3.280116 0.000000 -1.050334\n0.049084 4.116736 0.153286\n-0.035926 0.188632 5.534750\nSi P\n1 3\ndirect\n0.395047 0.942750 0.790100 Si\n0.611337 0.060408 0.222672 P\n0.102110 0.420283 0.204221 P\n0.891503 0.576561 0.783009 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"P"
],
"chemical_system": "P-Si",
"density": 2.6979353746791648,
"density_atomic": 0.053707224628926194,
"volume": 74.47787569804228,
"volume_molar": 11.212906273984848,
"formula_full": "Si1 P3",
"formula_reduced": "SiP3",
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"spacegroup": 8
},
{
"id": "jvasp-123598",
"created_at": "2022-09-04T14:38:52.023334Z",
"updated_at": "2022-09-04T14:38:52.023359Z",
"structure_string": "P3 O1\n1.0\n2.937692 0.000000 -0.940686\n0.216155 3.772000 0.675036\n0.296317 0.780454 5.982815\nP O\n3 1\ndirect\n0.643229 0.030473 0.286456 P\n0.094909 0.434809 0.189815 P\n0.876070 0.659690 0.752139 P\n0.385797 0.875025 0.771592 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"O"
],
"chemical_system": "O-P",
"density": 2.7554202587440493,
"density_atomic": 0.06093802478198367,
"volume": 65.64046035805545,
"volume_molar": 9.882402295685248,
"formula_full": "P3 O1",
"formula_reduced": "P3O",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7656825000000005,
"spacegroup": 8
},
{
"id": "jvasp-123603",
"created_at": "2022-09-04T14:38:52.029950Z",
"updated_at": "2022-09-04T14:38:52.029965Z",
"structure_string": "Pm1 P3\n1.0\n3.552892 -0.000000 -1.137680\n-0.043036 4.107199 -0.134400\n-0.137364 -0.203625 5.687569\nPm P\n1 3\ndirect\n0.338616 -0.017603 0.677232 Pm\n0.620420 0.079060 0.240840 P\n0.121840 0.440699 0.243680 P\n0.919124 0.497841 0.838249 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"P"
],
"chemical_system": "P-Pm",
"density": 4.803584169099778,
"density_atomic": 0.04863433703670104,
"volume": 82.24641773119002,
"volume_molar": 12.382487614574654,
"formula_full": "Pm1 P3",
"formula_reduced": "PmP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.43409691875,
"spacegroup": 8
},
{
"id": "jvasp-123607",
"created_at": "2022-09-04T14:38:52.085856Z",
"updated_at": "2022-09-04T14:38:52.085880Z",
"structure_string": "Pu1 P3\n1.0\n3.521319 -0.000000 -1.127570\n-0.046992 3.970798 -0.146752\n-0.177508 -0.190852 5.507847\nPu P\n1 3\ndirect\n0.335835 -0.007621 0.671672 Pu\n0.619926 0.057756 0.239850 P\n0.127271 0.439112 0.254541 P\n0.916968 0.510755 0.833938 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"P"
],
"chemical_system": "P-Pu",
"density": 7.350852270890527,
"density_atomic": 0.05255573801480318,
"volume": 76.10967234202543,
"volume_molar": 11.458579001028902,
"formula_full": "Pu1 P3",
"formula_reduced": "PuP3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.050329125,
"spacegroup": 8
},
{
"id": "jvasp-111648",
"created_at": "2022-09-04T14:38:52.107379Z",
"updated_at": "2022-09-04T14:38:52.107396Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.839418 -0.003879 0.245291\n1.375358 6.140445 0.724476\n0.282582 -0.089544 13.247723\nLi Mn Co O\n8 2 4 14\ndirect\n0.139893 0.932223 0.787701 Li\n0.003621 0.504442 0.488885 Li\n0.863281 0.056602 0.217182 Li\n0.578126 0.207385 0.636662 Li\n0.435035 0.784976 0.345538 Li\n0.267552 0.380268 0.084105 Li\n0.712270 0.636064 0.938686 Li\n0.567439 0.713937 0.151216 Li\n0.002216 0.991673 0.003569 Mn\n0.858953 0.569776 0.712269 Mn\n0.286919 0.854957 0.571335 Co\n0.141265 0.433704 0.283903 Co\n0.714995 0.141476 0.428736 Co\n0.428362 0.287246 0.855864 Co\n0.869718 0.309710 0.950865 O\n0.559478 0.982407 0.898174 O\n0.422278 0.542094 0.613135 O\n0.272130 0.122564 0.333203 O\n-0.009321 0.263363 0.754984 O\n0.843866 0.835759 0.476450 O\n0.708459 0.390595 0.192394 O\n0.133887 0.701777 0.029988 O\n0.725393 0.876778 0.672717 O\n0.584127 0.446166 0.385926 O\n0.432106 0.042834 0.092846 O\n0.155996 0.159557 0.528847 O\n0.005466 0.735197 0.254162 O\n0.296502 0.596464 0.810661 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.4980829976093295,
"density_atomic": 0.12132969902835514,
"volume": 230.77614322158922,
"volume_molar": 4.963451494751179,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5575038243842365,
"spacegroup": 8
},
{
"id": "jvasp-123615",
"created_at": "2022-09-04T14:38:52.161670Z",
"updated_at": "2022-09-04T14:38:52.161715Z",
"structure_string": "Sb1 P3\n1.0\n3.437809 -0.000000 -1.100829\n-0.025607 4.556629 -0.079969\n-0.029198 -0.110315 5.827242\nSb P\n1 3\ndirect\n0.377303 0.919524 0.754609 Sb\n0.606988 0.113568 0.213975 P\n0.105880 0.437124 0.211759 P\n0.909827 0.529783 0.819656 P\n",
"nsites": 4,
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"elements": [
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"density": 3.913015360413801,
"density_atomic": 0.04390644334895126,
"volume": 91.10280165964623,
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"formula_full": "Sb1 P3",
"formula_reduced": "SbP3",
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"energy_above_hull": 2.6521706500000004,
"spacegroup": 8
},
{
"id": "jvasp-49924",
"created_at": "2022-09-04T14:37:56.150340Z",
"updated_at": "2022-09-04T14:37:56.150358Z",
"structure_string": "Ti6 N4 O6\n1.0\n3.847025 0.000000 -0.000000\n-1.923513 4.872314 -0.019542\n-0.000000 -0.049750 9.897193\nTi N O\n6 4 6\ndirect\n0.145623 0.291246 0.565944 Ti\n0.147300 0.294600 0.940306 Ti\n0.200518 0.401034 0.249023 Ti\n0.800287 0.600574 0.757093 Ti\n0.859496 0.718994 0.056578 Ti\n0.865066 0.730134 0.439336 Ti\n0.305290 0.610579 0.428168 N\n0.311116 0.622232 0.079015 N\n0.237667 0.475334 0.744935 N\n0.693623 0.387246 0.926901 N\n0.047450 0.094899 0.117901 O\n0.042053 0.084106 0.376914 O\n0.952409 0.904818 0.615402 O\n0.954764 0.909528 0.881162 O\n0.683755 0.367511 0.570231 O\n0.753577 0.507156 0.251090 O\n",
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"O"
],
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"density": 3.9316313178114948,
"density_atomic": 0.08624946736377541,
"volume": 185.50839198248738,
"volume_molar": 6.982235304248715,
"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.91040025,
"spacegroup": 8
}
]
}