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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=925",
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"results": [
{
"id": "jvasp-33859",
"created_at": "2022-09-04T14:38:06.440025Z",
"updated_at": "2022-09-04T14:38:06.440067Z",
"structure_string": "Si1 H8\n1.0\n-2.700656 2.700656 3.729819\n2.700656 -2.700656 3.729819\n2.700656 2.700656 -3.729819\nSi H\n1 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.449594 0.449594 0.000000 H\n0.550405 0.550405 0.000000 H\n0.699566 0.199563 0.500003 H\n0.800440 0.300437 0.500003 H\n0.115654 0.341996 0.226343 H\n0.115654 0.889315 0.773661 H\n0.658005 0.884348 0.773661 H\n0.110688 0.884348 0.226345 H\n",
"nsites": 9,
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{
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"updated_at": "2022-09-04T14:38:10.869452Z",
"structure_string": "Mg6 O6\n1.0\n3.276951 -0.000066 0.000037\n-1.638533 2.837889 -0.000037\n-0.000166 0.000095 15.601688\nMg O\n6 6\ndirect\n0.333261 0.666739 0.352039 Mg\n0.333307 0.666694 0.020746 Mg\n0.999931 0.000067 0.186394 Mg\n0.999983 0.000013 0.518265 Mg\n0.000066 0.999932 0.852624 Mg\n0.666745 0.333250 0.686385 Mg\n0.333260 0.666740 0.148157 O\n0.333306 0.666692 0.479484 O\n0.999981 0.000013 0.981304 O\n0.999932 0.000065 0.313800 O\n0.000070 0.999927 0.646938 O\n0.666742 0.333253 0.813835 O\n",
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"volume": 145.08813243547047,
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"formula_full": "Mg6 O6",
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"spacegroup": 156
},
{
"id": "jvasp-104717",
"created_at": "2022-09-04T14:36:44.094869Z",
"updated_at": "2022-09-04T14:36:44.094896Z",
"structure_string": "Mn2 Cr2 P4\n1.0\n3.055251 0.000000 0.000000\n0.000000 5.328910 0.000000\n0.000000 0.000000 5.940950\nMn Cr P\n2 2 4\ndirect\n-0.000000 0.506461 0.443528 Mn\n-0.000000 0.006461 0.556472 Mn\n0.500000 0.495365 0.051187 Cr\n0.500000 0.995365 0.948813 Cr\n0.500000 0.307979 0.679463 P\n0.500000 0.807979 0.320537 P\n-0.000000 0.690195 0.810387 P\n-0.000000 0.190195 0.189613 P\n",
"nsites": 8,
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"elements": [
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"Cr",
"P"
],
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"density": 5.798563636703248,
"density_atomic": 0.08270824570809278,
"volume": 96.72554328180148,
"volume_molar": 7.281185459131011,
"formula_full": "Mn2 Cr2 P4",
"formula_reduced": "MnCrP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.608196410344828,
"spacegroup": 26
},
{
"id": "jvasp-40494",
"created_at": "2022-09-04T14:38:13.197613Z",
"updated_at": "2022-09-04T14:38:13.197640Z",
"structure_string": "Ti3 P1 O7\n1.0\n4.033909 2.328979 2.359400\n-4.033909 2.328979 2.359400\n-0.000000 -4.657957 2.359400\nTi P O\n3 1 7\ndirect\n0.180681 0.535125 0.535115 Ti\n0.535125 0.535115 0.180681 Ti\n0.535114 0.180681 0.535125 Ti\n0.991280 0.991280 0.991281 P\n0.141798 0.826289 0.826259 O\n0.393087 0.793616 0.393072 O\n0.219228 0.219228 0.219228 O\n0.826289 0.826259 0.141798 O\n0.393072 0.393087 0.793616 O\n0.793616 0.393072 0.393087 O\n0.826259 0.141798 0.826289 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Ti",
"density": 3.5779662537038766,
"density_atomic": 0.08270813965866768,
"volume": 132.9977925437139,
"volume_molar": 7.281194795159306,
"formula_full": "Ti3 P1 O7",
"formula_reduced": "Ti3PO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.1920759090909088,
"spacegroup": 160
},
{
"id": "jvasp-69568",
"created_at": "2022-09-04T14:36:13.608686Z",
"updated_at": "2022-09-04T14:36:13.608715Z",
"structure_string": "Mg1 Be2 Tc1\n1.0\n-1.741703 1.741703 3.986066\n1.741703 -1.741703 3.986066\n1.741703 1.741703 -3.986066\nMg Be Tc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Tc\n",
"nsites": 4,
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"elements": [
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"Be",
"Tc"
],
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"density": 4.8177579632941505,
"density_atomic": 0.08270034377863962,
"volume": 48.36739265203811,
"volume_molar": 7.28188116861908,
"formula_full": "Mg1 Be2 Tc1",
"formula_reduced": "MgBe2Tc",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-48157",
"created_at": "2022-09-04T14:37:07.801733Z",
"updated_at": "2022-09-04T14:37:07.801760Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n6.249300 -0.289034 -0.077616\n-2.448185 5.928068 -0.013612\n-1.916273 -1.864212 7.359370\nLi V P O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.585665 0.308007 0.769024 V\n0.414337 0.691994 0.230976 V\n0.157638 0.430980 0.779461 P\n0.545522 0.771705 0.681828 P\n0.454480 0.228296 0.318172 P\n0.842363 0.569022 0.220539 P\n0.441367 0.006728 0.210370 O\n0.287296 0.312204 0.199216 O\n0.738665 0.435585 0.367010 O\n0.118075 0.646495 0.290342 O\n0.599682 0.794887 0.502557 O\n0.400320 0.205115 0.497443 O\n0.558633 -0.006728 0.789629 O\n0.261337 0.564416 0.632990 O\n0.712705 0.687797 0.800783 O\n0.790081 0.785174 0.237052 O\n0.209921 0.214827 0.762948 O\n0.292426 0.604762 0.967084 O\n0.881927 0.353506 0.709658 O\n0.707576 0.395239 0.032916 O\n",
"nsites": 22,
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"elements": [
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"V",
"P",
"O"
],
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"density": 2.894104094724969,
"density_atomic": 0.08269817456748924,
"volume": 266.0276374304489,
"volume_molar": 7.282072175710946,
"formula_full": "Li2 V2 P4 O14",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.8572827,
"spacegroup": 2
},
{
"id": "jvasp-35598",
"created_at": "2022-09-04T14:37:33.148085Z",
"updated_at": "2022-09-04T14:37:33.148104Z",
"structure_string": "Al2 V4 C2\n1.0\n1.458626 -2.526414 -0.000000\n1.458626 2.526414 -0.000000\n-0.000000 0.000000 13.126045\nAl V C\n2 4 2\ndirect\n0.333335 0.666668 0.250000 Al\n0.666668 0.333335 0.750000 Al\n0.333335 0.666668 0.585608 V\n0.666668 0.333335 0.414392 V\n0.666668 0.333335 0.085608 V\n0.333335 0.666668 0.914392 V\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
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"elements": [
"Al",
"V",
"C"
],
"chemical_system": "Al-C-V",
"density": 4.836168270633976,
"density_atomic": 0.08269469174086139,
"volume": 96.74139695773256,
"volume_molar": 7.282378872481266,
"formula_full": "Al2 V4 C2",
"formula_reduced": "AlV2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9693778,
"spacegroup": 194
},
{
"id": "jvasp-17536",
"created_at": "2022-09-04T14:38:14.190824Z",
"updated_at": "2022-09-04T14:38:14.190846Z",
"structure_string": "Ga1 Fe3\n1.0\n3.643587 0.000000 0.000000\n0.000000 3.643587 -0.000000\n-0.000000 0.000000 3.643587\nGa Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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"Fe"
],
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"density": 8.14483950593239,
"density_atomic": 0.08269372579939833,
"volume": 48.37126349468587,
"volume_molar": 7.282463937601196,
"formula_full": "Ga1 Fe3",
"formula_reduced": "GaFe3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-39655",
"created_at": "2022-09-04T14:37:42.298210Z",
"updated_at": "2022-09-04T14:37:42.298229Z",
"structure_string": "Ti1 Mn2 Si1\n1.0\n0.000000 2.891954 2.891954\n2.891954 -0.000000 2.891954\n2.891954 2.891954 0.000000\nTi Mn Si\n1 2 1\ndirect\n0.749998 0.749998 0.749998 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
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"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 6.379071813636646,
"density_atomic": 0.08269054485780472,
"volume": 48.373124241452636,
"volume_molar": 7.2827440795749006,
"formula_full": "Ti1 Mn2 Si1",
"formula_reduced": "TiMn2Si",
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"spacegroup": 225
},
{
"id": "jvasp-117093",
"created_at": "2022-09-04T14:38:46.578596Z",
"updated_at": "2022-09-04T14:38:46.578623Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.277124 0.000000 0.000000\n-0.000000 7.809347 2.140980\n-0.000000 0.124328 8.251017\nLi Co Si O\n4 4 4 16\ndirect\n0.841030 0.030438 0.076978 Li\n0.332485 0.496263 0.282960 Li\n0.158969 0.030439 0.576978 Li\n0.667514 0.496263 0.782960 Li\n0.332578 0.134137 0.200962 Co\n0.832795 0.626081 0.393292 Co\n0.667421 0.134137 0.700962 Co\n0.167204 0.626081 0.893292 Co\n0.169495 0.261870 0.821969 Si\n0.337138 0.752028 0.513965 Si\n0.830504 0.261870 0.321969 Si\n0.662862 0.752028 0.013964 Si\n0.312736 0.434249 0.843595 O\n0.214447 0.786372 0.685332 O\n0.871385 0.302028 0.764041 O\n0.320802 0.188331 0.681783 O\n0.624968 0.673394 0.556323 O\n0.316363 0.947419 0.387521 O\n0.177204 0.614814 0.438443 O\n0.375031 0.673394 0.056323 O\n0.687264 0.434249 0.343594 O\n0.785552 0.786372 0.185332 O\n0.128614 0.302028 0.264041 O\n0.679197 0.188331 0.181782 O\n0.822795 0.614814 0.938443 O\n0.175263 0.113783 0.006637 O\n0.824736 0.113783 0.506637 O\n0.683637 0.947419 0.887521 O\n",
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],
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"density_atomic": 0.0826868282285191,
"volume": 338.6270897054757,
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"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 7
},
{
"id": "jvasp-10942",
"created_at": "2022-09-04T14:37:09.097256Z",
"updated_at": "2022-09-04T14:37:09.097279Z",
"structure_string": "V4 O8\n1.0\n2.801237 -0.000019 0.574526\n1.400430 7.123801 0.287846\n-0.030939 0.000763 7.266390\nV O\n4 8\ndirect\n0.637242 0.184125 0.541386 V\n0.178597 0.458662 0.184130 V\n0.821404 0.541337 0.815872 V\n0.362759 0.815874 0.458615 V\n0.838874 0.705729 0.616522 O\n0.455392 0.383402 0.705799 O\n0.544609 0.616597 0.294202 O\n0.161127 0.294271 0.383479 O\n0.156683 0.044117 0.642523 O\n0.799158 0.357476 0.044203 O\n0.843318 0.955882 0.357478 O\n0.200843 0.642523 0.955799 O\n",
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"volume": 145.13093783501074,
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"formula_full": "V4 O8",
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"spacegroup": 87
},
{
"id": "jvasp-52785",
"created_at": "2022-09-04T14:35:59.591207Z",
"updated_at": "2022-09-04T14:35:59.591235Z",
"structure_string": "Mn2 Sn2 O6\n1.0\n4.773086 0.004984 3.081063\n1.680897 4.467321 3.081063\n0.007193 0.004984 5.681130\nMn Sn O\n2 2 6\ndirect\n0.365750 0.365749 0.365749 Mn\n0.865751 0.865748 0.865749 Mn\n0.146967 0.146966 0.146966 Sn\n0.646968 0.646965 0.646966 Sn\n0.036590 0.763590 0.437104 O\n0.437104 0.036588 0.763591 O\n0.763592 0.437103 0.036589 O\n0.263591 0.536588 0.937104 O\n0.536591 0.937103 0.263590 O\n0.937105 0.263589 0.536589 O\n",
"nsites": 10,
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],
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"density": 6.086313185277771,
"density_atomic": 0.08268273329839869,
"volume": 120.94423588913538,
"volume_molar": 7.283432126350171,
"formula_full": "Mn2 Sn2 O6",
"formula_reduced": "MnSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.208595888275862,
"spacegroup": 161
}
]
}