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=-id&page=3527",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3525",
"results": [
{
"id": "jvasp-119303",
"created_at": "2022-09-04T14:38:50.507206Z",
"updated_at": "2022-09-04T14:38:50.507236Z",
"structure_string": "Ti12 Al8 Ni4 O4\n1.0\n6.956696 -0.000000 4.016450\n2.318899 6.558836 4.016450\n-0.000000 -0.000000 8.032900\nTi Al Ni O\n12 8 4 4\ndirect\n0.565287 0.934714 0.565286 Ti\n0.315287 0.684714 0.684713 Ti\n0.684714 0.315287 0.315286 Ti\n0.315287 0.684714 0.315286 Ti\n0.684714 0.684714 0.315286 Ti\n0.315287 0.315287 0.684713 Ti\n0.565287 0.565287 0.934713 Ti\n0.934714 0.565287 0.565286 Ti\n0.565287 0.934714 0.934713 Ti\n0.934714 0.934714 0.565286 Ti\n0.684714 0.315287 0.684713 Ti\n0.934714 0.565287 0.934713 Ti\n0.916818 0.916818 0.916817 Al\n0.000452 0.333182 0.333182 Al\n0.333182 0.333182 0.000452 Al\n0.333182 0.000452 0.333182 Al\n0.249548 0.916818 0.916817 Al\n0.916818 0.249548 0.916817 Al\n0.333182 0.333182 0.333182 Al\n0.916818 0.916818 0.249547 Al\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.125000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ni-O-Ti",
"density": 4.933848272149587,
"density_atomic": 0.07639340599747717,
"volume": 366.5237808735047,
"volume_molar": 7.88306357252729,
"formula_full": "Ti12 Al8 Ni4 O4",
"formula_reduced": "Ti3Al2NiO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.8079266428571428,
"spacegroup": 227
},
{
"id": "jvasp-119302",
"created_at": "2022-09-04T14:38:49.392289Z",
"updated_at": "2022-09-04T14:38:49.392322Z",
"structure_string": "Ni4 Hg4 O2 F12\n1.0\n7.379820 -0.000000 0.000000\n-3.689909 5.218321 -3.689910\n-0.000000 -0.000000 7.379820\nNi Hg O F\n4 4 2 12\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.000000 0.500000 Hg\n-0.000000 0.500000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.125000 0.750000 0.375000 O\n0.875000 0.250000 0.625000 O\n0.177731 0.855464 0.927731 F\n0.177731 0.250000 0.927731 F\n0.572268 0.250000 0.322268 F\n0.572268 0.644536 0.322268 F\n0.822269 0.144536 0.072268 F\n0.572268 0.250000 0.927731 F\n0.822268 0.750000 0.677731 F\n0.822268 0.750000 0.072268 F\n0.427731 0.750000 0.677731 F\n0.427731 0.750000 0.072268 F\n0.427731 0.355464 0.677731 F\n0.177731 0.250000 0.322268 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ni",
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-Ni-O",
"density": 7.578873533293339,
"density_atomic": 0.07741058540267837,
"volume": 284.1988584062408,
"volume_molar": 7.779479677971324,
"formula_full": "Ni4 Hg4 O2 F12",
"formula_reduced": "Ni2Hg2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-119301",
"created_at": "2022-09-04T14:38:50.449320Z",
"updated_at": "2022-09-04T14:38:50.449341Z",
"structure_string": "Mn6 Co4 O16\n1.0\n4.870125 -0.000000 0.000000\n0.000000 5.691503 0.000000\n-0.000000 -0.000000 9.153440\nMn Co O\n6 4 16\ndirect\n0.176433 0.761814 0.002214 Mn\n0.823566 0.738186 0.502214 Mn\n0.823566 0.261814 0.502214 Mn\n0.176433 0.238186 0.002214 Mn\n0.687609 0.500000 0.997805 Mn\n0.312390 0.000000 0.497805 Mn\n0.680973 0.000000 0.810815 Co\n0.319026 0.500000 0.310815 Co\n0.679871 0.000000 0.212016 Co\n0.320128 0.500000 0.712016 Co\n0.335289 0.000000 0.111453 O\n0.025738 0.500000 0.888272 O\n0.974261 0.000000 0.388272 O\n0.643558 0.000000 0.609558 O\n0.356441 0.500000 0.109558 O\n0.664710 0.500000 0.611453 O\n0.501407 0.772195 0.372849 O\n0.146526 0.758679 0.611477 O\n0.498592 0.272195 0.872849 O\n0.501407 0.227804 0.372849 O\n0.853473 0.741320 0.111477 O\n0.977280 0.500000 0.388906 O\n0.146526 0.241321 0.611477 O\n0.853473 0.258679 0.111477 O\n0.498592 0.727804 0.872849 O\n0.022719 0.000000 0.888906 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 5.375597077449472,
"density_atomic": 0.10247594489502006,
"volume": 253.7180801468609,
"volume_molar": 5.876638430774453,
"formula_full": "Mn6 Co4 O16",
"formula_reduced": "Mn3(CoO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.5265162710875333,
"spacegroup": 31
},
{
"id": "jvasp-119300",
"created_at": "2022-09-04T14:38:50.409397Z",
"updated_at": "2022-09-04T14:38:50.409427Z",
"structure_string": "Ni1 N2 F14\n1.0\n5.757202 0.046412 -3.233788\n-1.950707 5.416850 -3.233788\n-0.032337 -0.046412 6.603159\nNi N F\n1 2 14\ndirect\n0.000000 0.000000 0.000000 Ni\n0.749999 0.250000 0.499999 N\n0.249999 0.750000 0.500000 N\n0.252781 0.688178 0.274493 F\n0.586316 0.021712 0.274493 F\n0.021712 0.747219 0.435396 F\n0.311822 0.586316 0.564603 F\n0.747218 0.311822 0.725506 F\n0.805314 0.805314 -0.000001 F\n0.194686 0.194686 -0.000000 F\n0.761640 0.866028 0.627669 F\n0.866028 0.238359 0.104387 F\n0.133971 0.761641 0.895612 F\n0.238359 0.133972 0.372330 F\n0.413683 0.978288 0.725506 F\n0.688177 0.413684 0.435396 F\n0.978287 0.252781 0.564603 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ni",
"N",
"F"
],
"chemical_system": "F-N-Ni",
"density": 2.8595335831789215,
"density_atomic": 0.08300585356029529,
"volume": 204.80483328385068,
"volume_molar": 7.255079613904012,
"formula_full": "Ni1 N2 F14",
"formula_reduced": "Ni(NF7)2",
"formula_anonymous": "AB2C14",
"energy_above_hull": 0.6419784032352941,
"spacegroup": 87
},
{
"id": "jvasp-119297",
"created_at": "2022-09-04T14:38:48.865660Z",
"updated_at": "2022-09-04T14:38:48.865688Z",
"structure_string": "Fe2 P4 O14\n1.0\n6.156157 0.011293 -0.191608\n0.498075 5.562920 -2.414469\n-0.065364 0.192278 6.884040\nFe P O\n2 4 14\ndirect\n0.647213 0.100645 0.213783 Fe\n0.352788 0.899355 0.786217 Fe\n0.384033 0.337869 0.649825 P\n0.615968 0.662130 0.350174 P\n0.136514 0.243009 0.243527 P\n0.863487 0.756990 0.756471 P\n0.661595 0.937527 0.863765 O\n0.946067 0.082038 0.221360 O\n0.590760 0.237511 0.520361 O\n0.813701 0.677296 0.508121 O\n0.386861 0.600605 0.798817 O\n0.338405 0.062473 0.136234 O\n0.053934 0.917962 0.778639 O\n0.186299 0.322703 0.491878 O\n0.664087 0.792352 0.207207 O\n0.093544 0.447110 0.177739 O\n0.906457 0.552891 0.822261 O\n0.613139 0.399396 0.201182 O\n0.335914 0.207648 0.792793 O\n0.409241 0.762489 0.479638 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.199966491828781,
"density_atomic": 0.08386261021572113,
"volume": 238.4853029085749,
"volume_molar": 7.180960316533377,
"formula_full": "Fe2 P4 O14",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9641431,
"spacegroup": 2
},
{
"id": "jvasp-119296",
"created_at": "2022-09-04T14:38:48.837352Z",
"updated_at": "2022-09-04T14:38:48.837366Z",
"structure_string": "Mo4 P4 O20\n1.0\n6.459234 -0.000000 0.000000\n0.000000 7.215432 0.000000\n0.000000 -0.000000 7.329640\nMo P O\n4 4 20\ndirect\n0.250000 0.240880 0.880138 Mo\n0.750000 0.740879 0.619862 Mo\n0.250000 0.259120 0.380138 Mo\n0.750000 0.759120 0.119862 Mo\n0.250000 0.636494 0.122153 P\n0.750000 0.136494 0.377847 P\n0.250000 0.863506 0.622153 P\n0.750000 0.363506 0.877847 P\n0.250000 -0.020084 0.800174 O\n0.750000 0.687526 0.367609 O\n0.250000 0.990736 0.452251 O\n0.441891 0.738500 0.618574 O\n0.250000 0.312474 0.632391 O\n0.058109 0.738500 0.618574 O\n0.558109 0.261500 0.381426 O\n0.250000 0.509263 0.952251 O\n0.250000 0.520084 0.300174 O\n0.250000 0.187526 0.132391 O\n0.441891 0.761500 0.118574 O\n0.058109 0.761500 0.118574 O\n0.750000 0.479915 0.699826 O\n0.750000 0.490736 0.047749 O\n0.558109 0.238500 0.881426 O\n0.941891 0.238500 0.881426 O\n0.750000 0.812473 0.867609 O\n0.750000 0.009263 0.547749 O\n0.750000 0.020084 0.199826 O\n0.941891 0.261500 0.381426 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 4.023149471389054,
"density_atomic": 0.08196567705124012,
"volume": 341.6064016953834,
"volume_molar": 7.347149412595362,
"formula_full": "Mo4 P4 O20",
"formula_reduced": "MoPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.1154584142857145,
"spacegroup": 62
},
{
"id": "jvasp-119295",
"created_at": "2022-09-04T14:38:52.353640Z",
"updated_at": "2022-09-04T14:38:52.353659Z",
"structure_string": "Li2 Cr3 P4 O14\n1.0\n6.083804 -0.194279 1.393519\n1.625937 5.941261 1.675023\n0.133101 -0.017847 7.327106\nLi Cr P O\n2 3 4 14\ndirect\n0.522434 0.007628 0.689334 Li\n0.477566 0.992371 0.310666 Li\n0.790560 0.511736 0.671624 Cr\n0.209440 0.488263 0.328376 Cr\n0.000000 0.000000 0.000000 Cr\n0.180189 0.752413 0.667248 P\n0.357804 0.318223 0.926143 P\n0.642196 0.681776 0.073857 P\n0.819811 0.247586 0.332753 P\n0.598136 0.299802 0.810385 O\n0.408710 0.797948 0.561856 O\n0.657292 0.716280 0.856843 O\n0.401863 0.700197 0.189615 O\n-0.009828 0.053094 0.260922 O\n0.009829 0.946906 0.739078 O\n0.925513 0.360339 0.443601 O\n0.254992 0.155900 0.871680 O\n0.074487 0.639660 0.556399 O\n0.787969 0.430673 0.131236 O\n0.591290 0.202051 0.438144 O\n0.342708 0.283719 0.143157 O\n0.745008 0.844099 0.128320 O\n0.212031 0.569326 0.868764 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.2303140552469047,
"density_atomic": 0.08641667456055019,
"volume": 266.15233827222113,
"volume_molar": 6.968725411645439,
"formula_full": "Li2 Cr3 P4 O14",
"formula_reduced": "Li2Cr3(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy_above_hull": 3.305349269565218,
"spacegroup": 2
},
{
"id": "jvasp-119294",
"created_at": "2022-09-04T14:38:50.349587Z",
"updated_at": "2022-09-04T14:38:50.349608Z",
"structure_string": "V2 Cu2 O8\n1.0\n5.124980 -0.147462 -2.339261\n-1.836972 4.490752 -2.866061\n0.089936 0.147630 5.632198\nV Cu O\n2 2 8\ndirect\n0.037283 0.787286 0.249978 V\n0.962719 0.212712 0.750014 V\n0.499999 0.500002 0.500000 Cu\n0.500002 0.000005 -0.000000 Cu\n0.324490 0.268438 0.056028 O\n0.830287 0.839315 0.509244 O\n0.169704 0.160689 0.490763 O\n0.169753 0.678920 0.009020 O\n0.287792 0.731730 0.556057 O\n0.675512 0.731569 0.943973 O\n0.830258 0.321102 0.990988 O\n0.712209 0.268277 0.443944 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-V",
"density": 4.494541078767093,
"density_atomic": 0.09098829774796231,
"volume": 131.88509178663847,
"volume_molar": 6.618588224038805,
"formula_full": "V2 Cu2 O8",
"formula_reduced": "VCuO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.241314775,
"spacegroup": 74
},
{
"id": "jvasp-119292",
"created_at": "2022-09-04T14:38:29.730484Z",
"updated_at": "2022-09-04T14:38:29.730516Z",
"structure_string": "V2 Mo2 O10\n1.0\n4.290195 0.000000 0.000001\n-0.000003 6.620431 -0.000002\n-0.000000 0.000001 6.620430\nV Mo O\n2 2 10\ndirect\n0.841680 0.250000 0.250001 V\n0.158322 0.750000 0.750000 V\n0.500002 0.250000 0.750000 Mo\n0.500002 0.750000 0.250000 Mo\n0.742508 0.227866 0.967549 O\n0.742508 0.532451 0.227866 O\n0.742508 0.967549 0.272134 O\n0.742508 0.272134 0.532451 O\n0.221447 0.250000 0.250000 O\n0.778554 0.750000 0.750000 O\n0.257494 0.727866 0.467547 O\n0.257494 0.032454 0.727866 O\n0.257494 0.467546 0.772134 O\n0.257494 0.772134 0.032454 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Mo",
"O"
],
"chemical_system": "Mo-O-V",
"density": 4.007033205452193,
"density_atomic": 0.07445237253021492,
"volume": 188.0396758923753,
"volume_molar": 8.088581404919019,
"formula_full": "V2 Mo2 O10",
"formula_reduced": "VMoO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.324796800000001,
"spacegroup": 85
},
{
"id": "jvasp-119291",
"created_at": "2022-09-04T14:38:47.670003Z",
"updated_at": "2022-09-04T14:38:47.670028Z",
"structure_string": "Cd2 Fe4 O8\n1.0\n5.177399 -0.000691 -2.991144\n-1.725061 4.881616 -2.991053\n0.000493 0.000669 5.979305\nCd Fe O\n2 4 8\ndirect\n0.375005 0.125005 0.250001 Cd\n0.624995 0.874996 0.750002 Cd\n-0.000000 0.500000 0.500002 Fe\n0.500001 0.500000 0.000002 Fe\n-0.000000 0.000000 0.500001 Fe\n0.000001 0.500000 0.000001 Fe\n0.186641 0.728841 0.457800 O\n0.228959 0.271159 0.957801 O\n0.228829 0.686641 0.957811 O\n0.228830 0.271020 0.542190 O\n0.771170 0.313360 0.042191 O\n0.771169 0.728981 0.457812 O\n0.813359 0.271160 0.542202 O\n0.771041 0.728842 0.042202 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Fe",
"O"
],
"chemical_system": "Cd-Fe-O",
"density": 6.330738663136677,
"density_atomic": 0.09263224309368681,
"volume": 151.13528003246793,
"volume_molar": 6.501128072553851,
"formula_full": "Cd2 Fe4 O8",
"formula_reduced": "Cd(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.196426392857142,
"spacegroup": 227
},
{
"id": "jvasp-119290",
"created_at": "2022-09-04T14:38:48.790093Z",
"updated_at": "2022-09-04T14:38:48.790132Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.871816 -0.000000 0.000000\n0.000000 3.871816 0.000000\n-0.000000 -0.000000 15.805256\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n-0.000000 0.500000 0.184118 Sr\n0.500000 0.000000 0.815882 Sr\n-0.000000 0.500000 0.413685 Sr\n0.500000 0.000000 0.586316 Sr\n0.500000 0.000000 0.305826 Mn\n-0.000000 0.500000 0.694175 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.092106 S\n-0.000000 0.500000 0.907895 S\n0.000000 0.000000 0.288499 O\n0.500000 0.500000 0.288499 O\n0.500000 0.500000 0.711501 O\n0.000000 0.000000 0.711501 O\n0.500000 0.000000 0.430423 O\n-0.000000 0.500000 0.569577 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.239292147491067,
"density_atomic": 0.06752879928978316,
"volume": 236.93594685935335,
"volume_molar": 8.917885144318163,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4510651014224138,
"spacegroup": 129
},
{
"id": "jvasp-119289",
"created_at": "2022-09-04T14:38:50.110357Z",
"updated_at": "2022-09-04T14:38:50.110391Z",
"structure_string": "Na3 Mn3 Cr3 F18\n1.0\n9.044779 0.000000 0.000000\n-4.522390 7.833009 0.000000\n-0.000000 -0.000000 4.929299\nNa Mn Cr F\n3 3 3 18\ndirect\n0.367690 -0.000000 -0.000000 Na\n0.000000 0.367690 -0.000000 Na\n0.632310 0.632310 -0.000000 Na\n0.699712 -0.000000 0.500000 Mn\n0.300288 0.300288 0.500000 Mn\n0.000000 0.699712 0.500000 Mn\n0.666667 0.333333 0.502496 Cr\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.497504 Cr\n0.901110 0.103292 0.774813 F\n0.538940 0.408862 0.717364 F\n0.103292 0.901110 0.225187 F\n0.098890 0.202182 0.225187 F\n0.797818 0.896708 0.225187 F\n0.202182 0.098890 0.774813 F\n0.896708 0.797818 0.774813 F\n0.130078 0.591139 0.282636 F\n0.226008 0.458954 0.710951 F\n0.408862 0.538940 0.282636 F\n0.232947 0.773993 0.710951 F\n0.591139 0.130078 0.717364 F\n0.541046 0.767053 0.710951 F\n0.458954 0.226008 0.289049 F\n0.767053 0.541046 0.289049 F\n0.773993 0.232947 0.289049 F\n0.461060 0.869923 0.282636 F\n0.869923 0.461060 0.717364 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Na",
"Mn",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mn-Na",
"density": 3.4793324434202093,
"density_atomic": 0.0773129093730082,
"volume": 349.2301637458019,
"volume_molar": 7.789308161907658,
"formula_full": "Na3 Mn3 Cr3 F18",
"formula_reduced": "NaMnCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.672101704042146,
"spacegroup": 150
}
]
}