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{
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"results": [
{
"id": "jvasp-117277",
"created_at": "2022-09-04T14:38:47.207985Z",
"updated_at": "2022-09-04T14:38:47.208013Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n4.787865 -0.011703 -0.000027\n0.027185 5.715154 0.000013\n0.000033 0.000010 10.028113\nLi V Si O\n2 4 4 16\ndirect\n0.250000 0.250056 0.298208 Li\n0.750006 0.749952 0.798216 Li\n0.753031 0.490789 0.063957 V\n0.246971 0.509210 0.563957 V\n0.746959 0.009205 0.532483 V\n0.253043 0.990794 0.032484 V\n0.689169 0.508383 0.390550 Si\n0.310833 0.491618 0.890550 Si\n0.189160 0.008401 0.705885 Si\n0.810842 0.991600 0.205886 Si\n0.466360 0.279732 0.977996 O\n0.416056 0.501009 0.736593 O\n0.583941 0.498989 0.236594 O\n0.476325 0.712044 0.969074 O\n0.523678 0.287954 0.469075 O\n0.533642 0.720266 0.477995 O\n0.966373 0.779713 0.118439 O\n0.916025 0.000984 0.359845 O\n0.023676 0.787965 0.627359 O\n0.976325 0.212035 0.127360 O\n0.083974 -0.000984 0.859845 O\n0.975411 0.504266 0.905503 O\n0.475419 0.004255 0.190923 O\n0.524581 0.995745 0.690924 O\n0.033629 0.220285 0.618439 O\n0.024588 0.495735 0.405503 O\n",
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],
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"volume": 274.40631533631745,
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"formula_full": "Li2 V4 Si4 O16",
"formula_reduced": "LiV2(SiO4)2",
"formula_anonymous": "AB2C2D8",
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{
"id": "jvasp-112969",
"created_at": "2022-09-04T14:38:45.569981Z",
"updated_at": "2022-09-04T14:38:45.569999Z",
"structure_string": "Hg2 P4 Pd4 O16\n1.0\n8.536299 0.006038 4.878380\n6.432556 5.613436 1.838143\n-0.001173 0.003126 6.716523\nHg P Pd O\n2 4 4 16\ndirect\n0.750000 0.750001 0.749999 Hg\n0.500000 0.500001 0.500000 Hg\n0.955033 0.955035 0.544966 P\n0.544966 0.544968 0.955033 P\n0.294966 0.294967 0.705033 P\n0.705033 0.705035 0.294966 P\n0.625000 0.125000 0.125000 Pd\n0.125000 0.125000 0.125000 Pd\n0.125000 0.625001 0.125000 Pd\n0.125000 0.125001 0.625000 Pd\n0.123852 0.897828 0.600706 O\n0.872386 0.649295 0.352172 O\n0.126147 0.352174 0.649293 O\n0.897827 0.123853 0.377614 O\n0.600706 0.377614 0.123852 O\n0.377614 0.600708 0.897826 O\n0.171419 0.532708 0.824589 O\n0.778717 0.425411 0.717292 O\n0.824589 0.471284 0.171419 O\n0.532707 0.171420 0.471283 O\n0.078581 0.717294 0.425410 O\n0.649293 0.872387 0.126147 O\n0.425410 0.778718 0.078580 O\n0.717292 0.078582 0.778717 O\n0.471282 0.824591 0.532707 O\n0.352173 0.126148 0.872386 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 6.229661372763813,
"density_atomic": 0.08083008239024768,
"volume": 321.6624211079235,
"volume_molar": 7.450370681208886,
"formula_full": "Hg2 P4 Pd4 O16",
"formula_reduced": "HgP2(PdO4)2",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 70
},
{
"id": "jvasp-113109",
"created_at": "2022-09-04T14:38:42.256000Z",
"updated_at": "2022-09-04T14:38:42.256027Z",
"structure_string": "Co2 Ni4 P4 O16\n1.0\n4.707140 0.001890 0.004292\n-0.002263 5.846887 -0.114735\n-0.009208 -0.069963 10.173873\nCo Ni P O\n2 4 4 16\ndirect\n0.517275 0.238955 0.775738 Co\n0.017269 0.761041 0.724263 Co\n0.500504 0.501808 0.498769 Ni\n0.000477 0.498192 0.001233 Ni\n0.485602 0.755868 0.225732 Ni\n0.985598 0.244139 0.274268 Ni\n0.423493 0.248397 0.096217 P\n0.923517 0.751607 0.403780 P\n0.076032 0.253824 0.593500 P\n0.576005 0.746174 0.906498 P\n0.197614 0.055835 0.675594 O\n0.250977 0.732009 0.900276 O\n0.751006 0.267993 0.599725 O\n0.298805 0.048808 0.174100 O\n0.798826 0.951190 0.325896 O\n0.697595 0.944161 0.824404 O\n0.194726 0.252665 0.451361 O\n0.766178 0.533569 0.336835 O\n0.808581 0.747511 0.546903 O\n0.308554 0.252495 0.953095 O\n0.266160 0.466436 0.163166 O\n0.249109 0.735176 0.398403 O\n0.731140 0.529217 0.839156 O\n0.231167 0.470782 0.660841 O\n0.694702 0.747332 0.048636 O\n0.749086 0.264829 0.101597 O\n",
"nsites": 26,
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],
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"density_atomic": 0.09286742406460714,
"volume": 279.9690016373449,
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"formula_full": "Co2 Ni4 P4 O16",
"formula_reduced": "CoNi2(PO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-112709",
"created_at": "2022-09-04T14:38:42.492501Z",
"updated_at": "2022-09-04T14:38:42.492519Z",
"structure_string": "Ba2 Sr1 P2 O8\n1.0\n5.182405 -0.006301 5.635484\n2.193079 4.695504 5.635484\n-0.009911 -0.006301 7.656102\nBa Sr P O\n2 1 2 8\ndirect\n0.206747 0.206747 0.206747 Ba\n0.793252 0.793252 0.793252 Ba\n0.000000 0.000000 0.000000 Sr\n0.403578 0.403578 0.403578 P\n0.596421 0.596421 0.596421 P\n0.276295 0.734287 0.276294 O\n0.276295 0.276295 0.734287 O\n0.734287 0.276295 0.276294 O\n0.723705 0.265713 0.723705 O\n0.723705 0.723705 0.265712 O\n0.265713 0.723705 0.723705 O\n0.329850 0.329850 0.329850 O\n0.670149 0.670150 0.670149 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 4.909446596343346,
"density_atomic": 0.06960128213579711,
"volume": 186.77816846298987,
"volume_molar": 8.652341702916292,
"formula_full": "Ba2 Sr1 P2 O8",
"formula_reduced": "Ba2Sr(PO4)2",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 166
},
{
"id": "jvasp-35117",
"created_at": "2022-09-04T14:37:40.190837Z",
"updated_at": "2022-09-04T14:37:40.190858Z",
"structure_string": "Ba1 Al2 Si2 O8\n1.0\n2.670695 -4.625780 0.000000\n2.670695 4.625780 0.000000\n0.000000 0.000000 7.867749\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.705851 Al\n0.333334 0.666668 0.294150 Al\n0.666668 0.333334 0.283509 Si\n0.333334 0.666668 0.716491 Si\n0.666668 0.333334 0.487278 O\n0.333334 0.666668 0.512722 O\n0.563938 0.988817 0.793529 O\n0.424879 0.436064 0.793529 O\n0.011185 0.575122 0.793529 O\n0.436064 0.011185 0.206471 O\n0.575123 0.563938 0.206471 O\n0.988816 0.424880 0.206471 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Al-Ba-O-Si",
"density": 3.207145827644211,
"density_atomic": 0.0668734290219319,
"volume": 194.39708999723197,
"volume_molar": 9.005281840751683,
"formula_full": "Ba1 Al2 Si2 O8",
"formula_reduced": "BaAl2(SiO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-46736",
"created_at": "2022-09-04T14:38:03.464839Z",
"updated_at": "2022-09-04T14:38:03.464875Z",
"structure_string": "Li1 Co2 P2 O8\n1.0\n2.364017 1.928358 -4.047676\n-2.364017 4.482287 -0.106554\n4.726808 2.552813 3.939400\nLi Co P O\n1 2 2 8\ndirect\n0.499527 0.499527 0.000000 Li\n-0.002706 -0.002706 -0.000000 Co\n0.503622 0.503622 0.500000 Co\n0.009186 0.489903 0.746133 P\n0.489904 0.009186 0.253868 P\n0.561848 0.699578 0.257050 O\n0.187903 0.090887 0.225724 O\n0.631073 0.115198 0.066348 O\n0.131386 0.582595 0.551562 O\n0.115198 0.631072 0.933652 O\n0.582595 0.131386 0.448438 O\n0.090887 0.187902 0.774276 O\n0.699578 0.561848 0.742950 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 3.082455564234344,
"density_atomic": 0.07666995059732762,
"volume": 169.5579545665329,
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"formula_full": "Li1 Co2 P2 O8",
"formula_reduced": "LiCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-46718",
"created_at": "2022-09-04T14:38:00.652506Z",
"updated_at": "2022-09-04T14:38:00.652533Z",
"structure_string": "Li1 Fe2 P2 O8\n1.0\n2.397278 1.979262 -4.054612\n-2.397278 4.511628 -0.050636\n4.787206 2.525916 3.993778\nLi Fe P O\n1 2 2 8\ndirect\n0.501618 0.501618 -0.000000 Li\n0.991195 0.991194 -0.000000 Fe\n0.510356 0.510356 0.500000 Fe\n0.485063 0.013401 0.252222 P\n0.013401 0.485063 0.747779 P\n0.561130 0.706672 0.254610 O\n0.136498 0.574697 0.554997 O\n0.626606 0.121375 0.067880 O\n0.185804 0.085589 0.223899 O\n0.085589 0.185804 0.776102 O\n0.121376 0.626606 0.932121 O\n0.574696 0.136498 0.445004 O\n0.706672 0.561129 0.745390 O\n",
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"elements": [
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],
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"density_atomic": 0.0746715491635254,
"volume": 174.09575863400022,
"volume_molar": 8.064839724714883,
"formula_full": "Li1 Fe2 P2 O8",
"formula_reduced": "LiFe2(PO4)2",
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{
"id": "jvasp-56282",
"created_at": "2022-09-04T14:37:46.167383Z",
"updated_at": "2022-09-04T14:37:46.167417Z",
"structure_string": "Tl2 Hg2 Pd1 Cl8\n1.0\n6.330982 0.012627 1.868810\n2.763475 5.696026 1.868810\n-0.023695 -0.014873 9.771913\nTl Hg Pd Cl\n2 2 1 8\ndirect\n0.397409 0.397409 0.836112 Tl\n0.602592 0.602593 0.163887 Tl\n0.134236 0.134236 0.596767 Hg\n0.865765 0.865766 0.403232 Hg\n0.000000 0.000000 0.000000 Pd\n0.895306 0.380469 0.870562 Cl\n0.380468 0.895307 0.870561 Cl\n0.352878 0.352878 0.494579 Cl\n0.104695 0.619533 0.129438 Cl\n0.914694 0.914695 0.695936 Cl\n0.647123 0.647124 0.505420 Cl\n0.619532 0.104695 0.129438 Cl\n0.085307 0.085307 0.304063 Cl\n",
"nsites": 13,
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],
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"formula_full": "Tl2 Hg2 Pd1 Cl8",
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"spacegroup": 12
},
{
"id": "jvasp-46739",
"created_at": "2022-09-04T14:38:02.354396Z",
"updated_at": "2022-09-04T14:38:02.354418Z",
"structure_string": "Li1 Fe2 P2 O8\n1.0\n4.836389 -0.109041 -0.018528\n-1.243751 -4.998027 -0.035261\n-1.836345 0.153303 -5.600517\nLi Fe P O\n1 2 2 8\ndirect\n0.337060 0.342113 -0.019870 Li\n-0.014450 0.227129 0.355328 Fe\n0.994529 0.762019 0.647555 Fe\n0.340050 0.814857 0.230537 P\n0.654512 0.171318 0.775348 P\n0.197528 0.634952 0.405776 O\n0.304908 0.132646 0.679151 O\n0.243928 0.085474 0.205802 O\n0.251741 0.676053 -0.013094 O\n0.738450 0.309858 0.019522 O\n0.750909 0.905920 0.796644 O\n0.687501 0.867836 0.335167 O\n0.798481 0.356808 0.602780 O\n",
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],
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"volume": 136.33016186207422,
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"formula_full": "Li1 Fe2 P2 O8",
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{
"id": "jvasp-54486",
"created_at": "2022-09-04T14:37:46.242285Z",
"updated_at": "2022-09-04T14:37:46.242311Z",
"structure_string": "Ba1 Co2 P2 O8\n1.0\n4.814443 -0.003360 -0.006183\n-2.404793 4.174879 -0.003106\n-2.394770 -1.376480 7.882704\nBa Co P O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.336524 0.167848 0.505320 Co\n0.663476 0.832152 0.494679 Co\n0.149367 0.574671 0.724277 P\n0.850633 0.425329 0.275722 P\n0.902226 0.144011 0.340630 O\n0.278542 0.639197 0.917782 O\n0.721458 0.360803 0.082217 O\n0.583063 0.438950 0.341057 O\n0.097774 0.855989 0.659369 O\n0.802972 0.241957 0.659370 O\n0.197028 0.758043 0.340629 O\n0.416936 0.561050 0.658943 O\n",
"nsites": 13,
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"elements": [
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],
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"density_atomic": 0.08213628417003566,
"volume": 158.273534423445,
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"formula_full": "Ba1 Co2 P2 O8",
"formula_reduced": "BaCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-10715",
"created_at": "2022-09-04T14:37:20.027239Z",
"updated_at": "2022-09-04T14:37:20.027262Z",
"structure_string": "Sr2 Cu1 P2 O8\n1.0\n5.115194 0.000000 0.000000\n-2.557597 5.548845 -1.643199\n0.000000 -0.016327 6.607234\nSr Cu P O\n2 1 2 8\ndirect\n0.170384 0.340768 0.217472 Sr\n0.829614 0.659231 0.782527 Sr\n0.499999 -0.000000 0.500000 Cu\n0.856094 0.712190 0.290030 P\n0.143904 0.287809 0.709969 P\n0.376570 0.263293 0.561412 O\n0.113276 0.736706 0.438586 O\n0.623428 0.736706 0.438586 O\n0.886722 0.263293 0.561412 O\n0.726715 0.453431 0.138516 O\n0.050027 0.100054 0.831138 O\n0.949971 0.899944 0.168861 O\n0.273283 0.546567 0.861483 O\n",
"nsites": 13,
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"elements": [
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],
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"density_atomic": 0.06937082846483196,
"volume": 187.39865571290449,
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"formula_full": "Sr2 Cu1 P2 O8",
"formula_reduced": "Sr2Cu(PO4)2",
"formula_anonymous": "AB2C2D8",
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{
"id": "jvasp-49588",
"created_at": "2022-09-04T14:37:19.631578Z",
"updated_at": "2022-09-04T14:37:19.631602Z",
"structure_string": "Mg4 Ta2 Nb4 O16\n1.0\n5.216039 -0.003343 -0.004844\n-0.171398 5.966173 -0.004190\n-0.599259 -2.424944 9.664959\nMg Ta Nb O\n4 2 4 16\ndirect\n0.765528 0.418820 0.552342 Mg\n0.746926 0.861177 0.462062 Mg\n0.233399 0.583649 0.449207 Mg\n0.252216 0.141922 0.539795 Mg\n0.753107 0.655771 0.991153 Ta\n0.243062 0.348054 0.008843 Ta\n0.279759 0.991452 0.233400 Nb\n0.281120 0.755346 0.753598 Nb\n0.717883 0.248359 0.247642 Nb\n0.718352 0.010139 0.767986 Nb\n0.427092 0.298902 0.382353 O\n0.866553 0.546596 0.384408 O\n0.619836 0.157989 0.618386 O\n0.132217 0.456159 0.616596 O\n0.378844 0.844253 0.382598 O\n0.065123 0.922152 0.631649 O\n0.093762 0.673389 0.103202 O\n0.938194 0.799424 0.866161 O\n0.902573 0.330059 0.897852 O\n0.587279 0.451279 0.114536 O\n0.606094 0.912677 0.114092 O\n0.933087 0.080202 0.368799 O\n0.390691 0.091143 0.886987 O\n0.062274 0.203510 0.135353 O\n0.409200 0.550744 0.886430 O\n0.571948 0.703298 0.618680 O\n",
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],
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"volume": 300.6936286896413,
"volume_molar": 6.9646898369392085,
"formula_full": "Mg4 Ta2 Nb4 O16",
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"spacegroup": 2
}
]
}