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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=971",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=969",
"results": [
{
"id": "jvasp-117119",
"created_at": "2022-09-04T14:38:50.654210Z",
"updated_at": "2022-09-04T14:38:50.654228Z",
"structure_string": "Sr12 Hg4\n1.0\n7.378806 -0.000000 0.000000\n0.000000 8.472345 0.000000\n-0.000000 -0.000000 10.881500\nSr Hg\n12 4\ndirect\n0.337666 0.679260 0.062078 Sr\n0.162334 0.179260 0.437922 Sr\n0.662334 0.320740 0.562078 Sr\n0.837666 0.820741 0.937922 Sr\n0.662334 0.320740 0.937922 Sr\n0.837666 0.820741 0.562078 Sr\n0.337666 0.679260 0.437922 Sr\n0.162334 0.179260 0.062078 Sr\n0.863037 0.530972 0.250000 Sr\n0.636963 0.030972 0.250000 Sr\n0.136963 0.469028 0.750000 Sr\n0.363037 0.969028 0.750000 Sr\n0.052909 0.881363 0.250000 Hg\n0.447091 0.381362 0.250000 Hg\n0.947092 0.118638 0.750000 Hg\n0.552909 0.618638 0.750000 Hg\n",
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"elements": [
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"density": 4.525155257815449,
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"volume": 680.2655701915419,
"volume_molar": 25.604093861719534,
"formula_full": "Sr12 Hg4",
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{
"id": "jvasp-52552",
"created_at": "2022-09-04T14:35:59.687027Z",
"updated_at": "2022-09-04T14:35:59.687055Z",
"structure_string": "Sr6 Hf4 O14\n1.0\n5.737327 0.000000 0.000000\n0.000000 5.737124 0.000000\n-2.868664 0.000000 10.682687\nSr Hf O\n6 4 14\ndirect\n0.061467 0.250000 0.622935 Sr\n0.438534 0.250000 0.377066 Sr\n0.561467 0.749999 0.622935 Sr\n0.250000 0.250000 -0.000000 Sr\n0.750000 0.749999 -0.000000 Sr\n0.938534 0.749999 0.377066 Sr\n0.151807 0.749999 0.803614 Hf\n0.651807 0.250000 0.803614 Hf\n0.348194 0.749999 0.196387 Hf\n0.848194 0.250000 0.196387 Hf\n0.647223 0.949486 0.193373 O\n0.953851 0.449486 0.806627 O\n0.852779 0.949486 0.806627 O\n0.546151 0.449486 0.193373 O\n0.446154 0.749999 0.392307 O\n0.553847 0.250000 0.607693 O\n0.046151 0.550513 0.193373 O\n0.453850 0.550513 0.806627 O\n0.147223 0.050514 0.193373 O\n0.352778 0.050514 0.806627 O\n0.750000 0.250000 -0.000000 O\n0.053847 0.749999 0.607693 O\n0.250000 0.749999 -0.000000 O\n0.946155 0.250000 0.392307 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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],
"chemical_system": "Hf-O-Sr",
"density": 6.912074331628881,
"density_atomic": 0.06825380980220468,
"volume": 351.6287232837334,
"volume_molar": 8.823156945307217,
"formula_full": "Sr6 Hf4 O14",
"formula_reduced": "Sr3Hf2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.3624891191666664,
"spacegroup": 68
},
{
"id": "jvasp-22925",
"created_at": "2022-09-04T14:37:31.135722Z",
"updated_at": "2022-09-04T14:37:31.135746Z",
"structure_string": "Sr12 Ge8 As16\n1.0\n0.000000 7.542836 -0.010314\n18.654421 0.000000 0.000000\n0.000000 -2.856509 -7.100391\nSr Ge As\n12 8 16\ndirect\n0.012316 0.315441 0.217667 Sr\n0.487684 0.815441 0.782332 Sr\n0.987684 0.684559 0.782332 Sr\n0.512316 0.184559 0.217667 Sr\n0.997241 0.439804 0.739138 Sr\n0.502759 0.939804 0.260861 Sr\n0.002759 0.560196 0.260861 Sr\n0.497241 0.060196 0.739139 Sr\n0.511678 0.437866 0.255727 Sr\n0.988322 0.937866 0.744272 Sr\n0.488322 0.562134 0.744272 Sr\n0.011678 0.062134 0.255728 Sr\n0.584482 0.259991 0.685105 Ge\n0.915519 0.759991 0.314894 Ge\n0.084481 0.240009 0.685106 Ge\n0.415519 0.740009 0.314894 Ge\n0.971394 0.127650 0.788390 Ge\n0.028606 0.872350 0.211609 Ge\n0.471394 0.372350 0.788391 Ge\n0.528606 0.627650 0.211609 Ge\n0.224662 0.697203 0.505060 As\n0.275338 0.197203 0.494940 As\n0.243130 0.932892 0.498869 As\n0.256870 0.432892 0.501130 As\n0.743130 0.567108 0.498869 As\n0.756870 0.067108 0.501130 As\n0.749204 0.440177 0.993682 As\n0.250796 0.559823 0.006317 As\n0.249204 0.059823 0.993682 As\n0.279536 0.314252 0.962910 As\n0.220464 0.814252 0.037090 As\n0.720464 0.685748 0.037090 As\n0.779537 0.185748 0.962909 As\n0.724662 0.802797 0.505059 As\n0.750797 0.940177 0.006317 As\n0.775338 0.302797 0.494940 As\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Ge",
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],
"chemical_system": "As-Ge-Sr",
"density": 4.703252548933853,
"density_atomic": 0.03601346883977039,
"volume": 999.6260054861608,
"volume_molar": 16.721912534428313,
"formula_full": "Sr12 Ge8 As16",
"formula_reduced": "Sr3(GeAs2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.1117075366666664,
"spacegroup": 14
},
{
"id": "jvasp-35199",
"created_at": "2022-09-04T14:38:13.200983Z",
"updated_at": "2022-09-04T14:38:13.200995Z",
"structure_string": "Sr3 Ge2 B6 O16\n1.0\n-5.037072 0.012261 -0.002423\n-0.043006 -7.355251 -0.035900\n1.893656 1.958266 8.097154\nSr Ge B O\n3 2 6 16\ndirect\n0.096795 0.094724 0.741665 Sr\n0.903205 0.905275 0.258335 Sr\n-0.000000 0.500000 0.500000 Sr\n0.700652 0.313062 0.052289 Ge\n0.299348 0.686938 0.947711 Ge\n0.730371 0.760076 0.804771 B\n0.269629 0.239923 0.195229 B\n0.539636 0.409915 0.739546 B\n0.540967 0.186796 0.459396 B\n0.459033 0.813204 0.540603 B\n0.460363 0.590085 0.260453 B\n0.264025 0.682431 0.147852 O\n0.029728 0.810468 0.858135 O\n0.970272 0.189531 0.141865 O\n0.669542 0.566654 0.704390 O\n0.330458 0.433346 0.295610 O\n0.735975 0.317568 0.852148 O\n0.293064 0.462851 0.809325 O\n0.186075 0.822180 0.512658 O\n0.410549 0.271413 0.583975 O\n0.589451 0.728586 0.416025 O\n0.813925 0.177820 0.487342 O\n0.382467 0.202712 0.044178 O\n0.376770 0.108814 0.301190 O\n0.623229 0.891186 0.698810 O\n0.706936 0.537148 0.190675 O\n0.617533 0.797287 0.955822 O\n",
"nsites": 27,
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"elements": [
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"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-O-Sr",
"density": 4.040387500130452,
"density_atomic": 0.09011815709882015,
"volume": 299.60665940375173,
"volume_molar": 6.682494353936188,
"formula_full": "Sr3 Ge2 B6 O16",
"formula_reduced": "Sr3Ge2(B3O8)2",
"formula_anonymous": "A2B3C6D16",
"energy_above_hull": 3.0028008270370368,
"spacegroup": 2
},
{
"id": "jvasp-9977",
"created_at": "2022-09-04T14:37:18.321803Z",
"updated_at": "2022-09-04T14:37:18.321824Z",
"structure_string": "Sr6 Ga2 O8 F2\n1.0\n6.047642 -0.000000 -3.098023\n-1.587022 5.835695 -3.098023\n0.013522 0.017691 7.478201\nSr Ga O F\n6 2 8 2\ndirect\n0.250000 0.250000 0.500000 Sr\n0.166089 0.666089 0.000000 Sr\n0.333911 0.166089 0.000000 Sr\n0.666089 0.833910 0.000000 Sr\n0.833911 0.333911 0.000000 Sr\n0.750000 0.749999 0.500000 Sr\n0.250000 0.749999 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.495348 0.995347 0.288098 O\n0.995348 0.792749 0.288098 O\n0.292750 0.495348 0.288098 O\n0.004652 0.207250 0.711902 O\n0.707249 0.504652 0.711902 O\n0.504652 0.004652 0.711902 O\n0.207250 0.707249 0.711902 O\n0.792750 0.292750 0.288098 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Ga-O-Sr",
"density": 5.21635855145308,
"density_atomic": 0.06803106196030848,
"volume": 264.5850216258829,
"volume_molar": 8.852045795659505,
"formula_full": "Sr6 Ga2 O8 F2",
"formula_reduced": "Sr3GaO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6330339486111113,
"spacegroup": 140
},
{
"id": "jvasp-10094",
"created_at": "2022-09-04T14:37:10.606530Z",
"updated_at": "2022-09-04T14:37:10.606554Z",
"structure_string": "Sr6 Ga2 N6\n1.0\n3.790506 -6.565349 0.000000\n3.790506 6.565349 -0.000000\n-0.000000 -0.000000 5.418132\nSr Ga N\n6 2 6\ndirect\n0.284492 0.357452 0.250000 Sr\n0.357451 0.072961 0.750000 Sr\n0.927040 0.284492 0.750000 Sr\n0.072961 0.715509 0.250000 Sr\n0.642550 0.927040 0.250000 Sr\n0.715509 0.642550 0.750000 Sr\n0.333334 0.666668 0.750000 Ga\n0.666668 0.333334 0.250000 Ga\n0.400142 0.092992 0.250000 N\n0.092992 0.692851 0.750000 N\n0.307150 0.400142 0.750000 N\n0.692851 0.599859 0.250000 N\n0.907009 0.307151 0.250000 N\n0.599859 0.907009 0.750000 N\n",
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"elements": [
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],
"chemical_system": "Ga-N-Sr",
"density": 4.613344402837809,
"density_atomic": 0.05191507108321809,
"volume": 269.6712093017936,
"volume_molar": 11.599985580963017,
"formula_full": "Sr6 Ga2 N6",
"formula_reduced": "Sr3GaN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.0550701435714287,
"spacegroup": 176
},
{
"id": "jvasp-98199",
"created_at": "2022-09-04T14:36:20.105325Z",
"updated_at": "2022-09-04T14:36:20.105360Z",
"structure_string": "Sr12 Ga8 N16\n1.0\n5.977340 -0.000000 0.000000\n0.000000 9.528925 0.000000\n0.000000 0.000000 10.318592\nSr Ga N\n12 8 16\ndirect\n0.890417 0.087153 0.654749 Sr\n0.250000 0.596635 0.500000 Sr\n0.250000 0.903364 0.000000 Sr\n0.750000 0.096635 0.000000 Sr\n0.390417 0.587153 0.845251 Sr\n0.750000 0.403365 0.500000 Sr\n0.109583 0.587153 0.154749 Sr\n0.109583 0.912846 0.345251 Sr\n0.609583 0.412847 0.154749 Sr\n0.609583 0.087153 0.345251 Sr\n0.390417 0.912846 0.654749 Sr\n0.890417 0.412847 0.845251 Sr\n0.158575 0.250000 0.250000 Ga\n0.250000 0.270615 0.500000 Ga\n0.750000 0.770615 0.000000 Ga\n0.750000 0.729384 0.500000 Ga\n0.250000 0.229384 0.000000 Ga\n0.341425 0.250000 0.750000 Ga\n0.658575 0.750000 0.250000 Ga\n0.841425 0.750000 0.750000 Ga\n0.875001 0.622639 0.352639 N\n0.495121 0.331948 0.905481 N\n0.004879 0.168052 0.405482 N\n0.004879 0.331948 0.094518 N\n0.504879 0.831948 0.405482 N\n0.504879 0.668051 0.094518 N\n0.995121 0.831948 0.594518 N\n0.995121 0.668051 0.905481 N\n0.124999 0.122639 0.852639 N\n0.375001 0.377361 0.352639 N\n0.375001 0.122639 0.147361 N\n0.875001 0.877360 0.147361 N\n0.624999 0.622639 0.647361 N\n0.624999 0.877360 0.852639 N\n0.124999 0.377361 0.647361 N\n0.495121 0.168052 0.594518 N\n",
"nsites": 36,
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"density": 5.179856370958122,
"density_atomic": 0.06125339878347186,
"volume": 587.7224891186603,
"volume_molar": 9.831520992472614,
"formula_full": "Sr12 Ga8 N16",
"formula_reduced": "Sr3(GaN2)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 52
},
{
"id": "jvasp-54838",
"created_at": "2022-09-04T14:37:43.846302Z",
"updated_at": "2022-09-04T14:37:43.846321Z",
"structure_string": "Sr6 Ga6 N10\n1.0\n5.992450 0.017825 -0.006112\n-0.667785 7.193823 0.006614\n-2.083257 -2.952078 7.952091\nSr Ga N\n6 6 10\ndirect\n0.668093 0.862946 0.873061 Sr\n0.331907 0.137054 0.126938 Sr\n0.183157 0.591191 0.392169 Sr\n0.655501 0.653893 0.201394 Sr\n0.344499 0.346107 0.798605 Sr\n0.816844 0.408809 0.607831 Sr\n0.124726 0.876828 0.716951 Ga\n0.875275 0.123172 0.283049 Ga\n0.908041 0.315486 0.972715 Ga\n0.289840 0.046712 0.432874 Ga\n0.710160 0.953288 0.567125 Ga\n0.091959 0.684514 0.027285 Ga\n0.234994 0.472106 0.095515 N\n0.611487 0.052113 0.380019 N\n0.739102 0.225063 0.107859 N\n0.042834 0.891003 0.223241 N\n0.159173 0.289943 0.474832 N\n0.957167 0.108997 0.776758 N\n0.260899 0.774937 0.892141 N\n0.388514 0.947886 0.619981 N\n0.765006 0.527894 0.904485 N\n0.840828 0.710057 0.525168 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Ga",
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],
"chemical_system": "Ga-N-Sr",
"density": 5.249844526961092,
"density_atomic": 0.06415650038960631,
"volume": 342.9114722031209,
"volume_molar": 9.3866416083001,
"formula_full": "Sr6 Ga6 N10",
"formula_reduced": "Sr3Ga3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 2.436551105,
"spacegroup": 2
},
{
"id": "jvasp-52999",
"created_at": "2022-09-04T14:36:54.478737Z",
"updated_at": "2022-09-04T14:36:54.478772Z",
"structure_string": "Sr6 Fe2 N6\n1.0\n3.796580 -6.575871 -0.000000\n3.796580 6.575871 -0.000000\n0.000000 0.000000 5.291808\nSr Fe N\n6 2 6\ndirect\n0.727161 0.639520 0.750000 Sr\n0.639520 0.912360 0.250000 Sr\n0.087640 0.727161 0.250000 Sr\n0.912360 0.272839 0.750000 Sr\n0.360480 0.087640 0.750000 Sr\n0.272839 0.360480 0.250000 Sr\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.688274 0.573253 0.250000 N\n0.573253 0.884979 0.750000 N\n0.115021 0.688274 0.750000 N\n0.884979 0.311726 0.250000 N\n0.426747 0.115021 0.250000 N\n0.311726 0.426747 0.750000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"N"
],
"chemical_system": "Fe-N-Sr",
"density": 4.533937622598177,
"density_atomic": 0.052984412226504796,
"volume": 264.2286554043658,
"volume_molar": 11.36587254050447,
"formula_full": "Sr6 Fe2 N6",
"formula_reduced": "Sr3FeN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.681782025714286,
"spacegroup": 176
},
{
"id": "jvasp-97343",
"created_at": "2022-09-04T14:35:58.165823Z",
"updated_at": "2022-09-04T14:35:58.165843Z",
"structure_string": "Sr3 Fe2 O7\n1.0\n3.760875 0.000000 -0.708313\n-0.133402 3.758508 -0.708313\n0.007799 0.008081 10.379980\nSr Fe O\n3 2 7\ndirect\n0.682828 0.682827 0.365656 Sr\n0.317172 0.317172 0.634345 Sr\n0.500000 0.500001 0.000000 Sr\n0.904164 0.904165 0.808329 Fe\n0.095836 0.095836 0.191672 Fe\n0.000000 0.000000 0.000000 O\n0.807826 0.807828 0.615655 O\n0.192172 0.192173 0.384346 O\n0.904849 0.404849 0.809700 O\n0.404850 0.904851 0.809700 O\n0.595150 0.095150 0.190301 O\n0.095152 0.595152 0.190301 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "Fe-O-Sr",
"density": 5.504837651970536,
"density_atomic": 0.08176226915345862,
"volume": 146.76696383606165,
"volume_molar": 7.365427626154941,
"formula_full": "Sr3 Fe2 O7",
"formula_reduced": "Sr3Fe2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.0396245358333336,
"spacegroup": 139
},
{
"id": "jvasp-11814",
"created_at": "2022-09-04T14:37:31.601066Z",
"updated_at": "2022-09-04T14:37:31.601094Z",
"structure_string": "Sr3 Fe2 O5\n1.0\n3.505572 0.000013 -0.578967\n-0.117338 3.810434 -0.710638\n-0.060309 -0.010035 10.538284\nSr Fe O\n3 2 5\ndirect\n0.314660 0.314656 0.629286 Sr\n0.685339 0.685343 0.370713 Sr\n0.500000 0.499999 -0.000000 Sr\n0.094819 0.094825 0.189674 Fe\n0.905181 0.905174 0.810325 Fe\n0.190339 0.190348 0.380725 O\n0.809661 0.809651 0.619273 O\n0.094721 0.594727 0.189478 O\n0.905278 0.405273 0.810520 O\n0.000000 0.000001 0.999999 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Fe-O-Sr",
"density": 5.368025798573165,
"density_atomic": 0.07111917353648914,
"volume": 140.609058046341,
"volume_molar": 8.467675396860761,
"formula_full": "Sr3 Fe2 O5",
"formula_reduced": "Sr3Fe2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.828753743,
"spacegroup": 71
},
{
"id": "jvasp-57304",
"created_at": "2022-09-04T14:36:38.635921Z",
"updated_at": "2022-09-04T14:36:38.635949Z",
"structure_string": "Sr3 Fe2 Cu2 Se2 O5\n1.0\n3.894940 0.000000 -0.558208\n-0.080000 3.894117 -0.558208\n0.005939 0.006063 13.909169\nSr Fe Cu Se O\n3 2 2 2 5\ndirect\n0.364867 0.364866 0.729733 Sr\n0.500000 0.500000 -0.000000 Sr\n0.635134 0.635134 0.270267 Sr\n0.930240 0.930239 0.860479 Fe\n0.069760 0.069760 0.139521 Fe\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.807873 0.807873 0.615747 Se\n0.192127 0.192127 0.384253 Se\n0.576774 0.076773 0.153546 O\n0.000000 0.000000 0.000000 O\n0.923227 0.423226 0.846454 O\n0.076774 0.576774 0.153546 O\n0.423227 0.923226 0.846454 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
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"Se",
"O"
],
"chemical_system": "Cu-Fe-O-Se-Sr",
"density": 5.820451910570458,
"density_atomic": 0.06635334433916838,
"volume": 210.99162580921785,
"volume_molar": 9.075866212888277,
"formula_full": "Sr3 Fe2 Cu2 Se2 O5",
"formula_reduced": "Sr3Fe2Cu2Se2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy_above_hull": 1.5643267902380953,
"spacegroup": 139
}
]
}