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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=468",
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"results": [
{
"id": "jvasp-9530",
"created_at": "2022-09-04T14:37:19.786271Z",
"updated_at": "2022-09-04T14:37:19.786290Z",
"structure_string": "Mg4 Cr4 O8\n1.0\n2.919338 0.000949 0.003889\n1.457239 8.346587 0.115070\n1.448536 0.480298 8.303608\nMg Cr O\n4 4 8\ndirect\n0.650449 0.936166 0.763009 Mg\n0.353653 0.083918 0.208786 Mg\n0.925013 0.292415 0.857774 Mg\n0.079204 0.727667 0.114027 Mg\n0.371676 0.821824 0.434872 Cr\n0.788999 0.616862 0.805292 Cr\n0.215193 0.403220 0.166511 Cr\n0.632450 0.198262 0.536925 Cr\n0.188902 0.235769 0.386485 O\n0.631508 0.571184 0.165907 O\n0.372697 0.448898 0.805890 O\n0.815223 0.784316 0.585313 O\n0.918379 0.907701 0.255595 O\n0.166533 0.787873 0.879192 O\n0.085745 0.112383 0.716203 O\n0.837619 0.232210 0.092606 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 3.5591227404335344,
"density_atomic": 0.0791636488396191,
"volume": 202.11296768817542,
"volume_molar": 7.6072046302470255,
"formula_full": "Mg4 Cr4 O8",
"formula_reduced": "MgCrO2",
"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-34156",
"created_at": "2022-09-04T14:37:19.853811Z",
"updated_at": "2022-09-04T14:37:19.853839Z",
"structure_string": "Dy4 Co2 Si4\n1.0\n4.030274 0.000000 0.953502\n1.966478 5.207321 0.682420\n0.004840 -0.031743 8.973903\nDy Co Si\n4 2 4\ndirect\n0.186262 0.732914 0.894562 Dy\n0.813737 0.267087 0.105437 Dy\n0.998814 0.330647 0.671722 Dy\n0.001185 0.669353 0.328277 Dy\n0.726765 0.924150 0.622320 Co\n0.273234 0.075850 0.377680 Co\n0.493856 0.138895 0.873391 Si\n0.506143 0.861105 0.126610 Si\n0.346775 0.739388 0.567060 Si\n0.653224 0.260612 0.432940 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Si"
],
"chemical_system": "Co-Dy-Si",
"density": 7.760606318644237,
"density_atomic": 0.05309590794740299,
"volume": 188.3384310878729,
"volume_molar": 11.342005425287306,
"formula_full": "Dy4 Co2 Si4",
"formula_reduced": "Dy2CoSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.48504422,
"spacegroup": 12
},
{
"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,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P-Sr",
"density": 3.798964258667013,
"density_atomic": 0.06937082846483196,
"volume": 187.39865571290449,
"volume_molar": 8.681085253368376,
"formula_full": "Sr2 Cu1 P2 O8",
"formula_reduced": "Sr2Cu(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.0392709284615385,
"spacegroup": 12
},
{
"id": "jvasp-10929",
"created_at": "2022-09-04T14:37:19.868115Z",
"updated_at": "2022-09-04T14:37:19.868132Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n3.074081 0.000438 0.000194\n1.536035 6.708640 -0.001107\n1.536172 1.194436 7.540785\nCa Cr O\n2 4 8\ndirect\n0.647019 0.853419 0.844632 Ca\n0.350646 0.113518 0.177252 Ca\n0.361991 0.433581 0.834514 Cr\n0.859765 0.787782 0.484771 Cr\n0.137913 0.179156 0.537113 Cr\n0.635676 0.533356 0.187371 Cr\n0.134781 0.401865 0.320656 O\n0.540632 0.211472 0.699361 O\n0.457045 0.755466 0.322524 O\n0.862888 0.565071 0.701227 O\n0.839324 0.309094 0.004326 O\n0.237854 0.887144 0.629236 O\n0.158340 0.657844 0.017560 O\n0.759817 0.079795 0.392648 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.4434983583770755,
"density_atomic": 0.09002623574217732,
"volume": 155.5102230431367,
"volume_molar": 6.689317519891178,
"formula_full": "Ca2 Cr4 O8",
"formula_reduced": "CaCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7293898885714287,
"spacegroup": 12
},
{
"id": "jvasp-34154",
"created_at": "2022-09-04T14:37:19.974536Z",
"updated_at": "2022-09-04T14:37:19.974565Z",
"structure_string": "Y4 Si4 Rh2\n1.0\n4.109402 -0.000000 0.977175\n1.990167 5.285932 0.759979\n-0.000336 -0.005941 9.130824\nY Si Rh\n4 4 2\ndirect\n0.998398 0.327799 0.675403 Y\n0.815023 0.261602 0.108353 Y\n0.001601 0.672201 0.324596 Y\n0.184977 0.738398 0.891646 Y\n0.641602 0.282687 0.434108 Si\n0.512898 0.853890 0.120314 Si\n0.358397 0.717313 0.565891 Si\n0.487102 0.146109 0.879685 Si\n0.273791 0.079845 0.372572 Rh\n0.726208 0.920154 0.627428 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Y",
"density": 5.640733645032986,
"density_atomic": 0.05041626867874206,
"volume": 198.34867319755625,
"volume_molar": 11.944836295549232,
"formula_full": "Y4 Si4 Rh2",
"formula_reduced": "Y2Si2Rh",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.99705822,
"spacegroup": 12
},
{
"id": "jvasp-11571",
"created_at": "2022-09-04T14:37:19.997507Z",
"updated_at": "2022-09-04T14:37:19.997524Z",
"structure_string": "Mn3 Zn2 O8\n1.0\n4.817736 0.213767 -1.107927\n-0.838413 4.982996 -2.684341\n0.279441 -0.189557 5.658965\nMn Zn O\n3 2 8\ndirect\n0.500001 1.000000 0.000001 Mn\n0.000000 0.744844 0.000000 Mn\n0.000000 0.255157 0.000000 Mn\n0.599442 0.707503 0.415004 Zn\n0.400559 0.292498 0.584995 Zn\n0.097668 0.393827 0.787655 O\n0.902334 0.606173 0.212344 O\n0.130401 0.899065 0.798130 O\n0.869600 0.100935 0.201870 O\n0.365701 0.341500 0.228807 O\n0.365702 0.887309 0.228808 O\n0.634300 0.112692 0.771192 O\n0.634300 0.658501 0.771192 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.186821418695938,
"density_atomic": 0.09585429443195283,
"volume": 135.62250994637208,
"volume_molar": 6.282598808627328,
"formula_full": "Mn3 Zn2 O8",
"formula_reduced": "Mn3Zn2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5893846557029176,
"spacegroup": 12
},
{
"id": "jvasp-11573",
"created_at": "2022-09-04T14:37:20.021147Z",
"updated_at": "2022-09-04T14:37:20.021174Z",
"structure_string": "Ca2 Co3 O8\n1.0\n4.715092 0.004466 -1.464399\n-0.850320 5.053760 -2.722461\n-0.009625 -0.011111 6.167101\nCa Co O\n2 3 8\ndirect\n0.670934 0.725404 0.450805 Ca\n0.329066 0.274598 0.549195 Ca\n0.500000 0.999999 0.000000 Co\n0.999999 0.743267 0.000000 Co\n0.999999 0.256734 0.000000 Co\n0.033596 0.397095 0.794189 O\n0.966404 0.602905 0.205811 O\n0.097857 0.904367 0.808734 O\n0.902144 0.095633 0.191266 O\n0.389496 0.320031 0.196369 O\n0.389496 0.876339 0.196369 O\n0.610505 0.123661 0.803632 O\n0.610505 0.679970 0.803632 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.355843089644332,
"density_atomic": 0.08858522081047183,
"volume": 146.75134160147903,
"volume_molar": 6.7981325834073125,
"formula_full": "Ca2 Co3 O8",
"formula_reduced": "Ca2Co3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.530859349230769,
"spacegroup": 12
},
{
"id": "jvasp-34497",
"created_at": "2022-09-04T14:37:20.055881Z",
"updated_at": "2022-09-04T14:37:20.055910Z",
"structure_string": "Dy6 O9\n1.0\n3.499592 0.000000 -0.000000\n-1.749797 6.882031 -1.238474\n-0.000000 0.016254 8.638192\nDy O\n6 9\ndirect\n0.635079 0.270160 0.487128 Dy\n0.690619 0.381240 0.137354 Dy\n0.033016 0.066033 0.813230 Dy\n0.364919 0.729840 0.512872 Dy\n0.309379 0.618759 0.862646 Dy\n0.966982 0.933966 0.186770 Dy\n0.871955 0.743914 0.717382 O\n0.793965 0.587933 0.376030 O\n0.128043 0.256085 0.282619 O\n0.206033 0.412066 0.623970 O\n0.500000 -0.000000 0.000000 O\n0.471305 0.942614 0.343770 O\n0.528693 0.057386 0.656230 O\n0.174788 0.349577 0.969703 O\n0.825210 0.650422 0.030297 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Dy",
"O"
],
"chemical_system": "Dy-O",
"density": 8.928390187622941,
"density_atomic": 0.07207544498693191,
"volume": 208.11526037362196,
"volume_molar": 8.355329281826679,
"formula_full": "Dy6 O9",
"formula_reduced": "Dy2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3773467,
"spacegroup": 12
},
{
"id": "jvasp-30630",
"created_at": "2022-09-04T14:37:20.065105Z",
"updated_at": "2022-09-04T14:37:20.065134Z",
"structure_string": "Mg4 Cr2 N4\n1.0\n4.105987 0.000000 1.650171\n1.391026 4.617790 2.472205\n-0.128988 0.174104 6.254331\nMg Cr N\n4 2 4\ndirect\n0.674759 0.258554 0.391931 Mg\n0.325243 0.741445 0.608070 Mg\n0.021039 0.714482 0.243440 Mg\n0.978962 0.285517 0.756561 Mg\n0.361089 0.151161 0.126661 Cr\n0.638912 0.848838 0.873339 Cr\n0.178918 0.250968 0.391199 N\n0.821083 0.749032 0.608802 N\n0.487040 0.249561 0.776358 N\n0.512961 0.750438 0.223642 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"N"
],
"chemical_system": "Cr-Mg-N",
"density": 3.613804531098221,
"density_atomic": 0.08460163339509195,
"volume": 118.20102755344834,
"volume_molar": 7.118232259035043,
"formula_full": "Mg4 Cr2 N4",
"formula_reduced": "Mg2CrN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7166844,
"spacegroup": 12
},
{
"id": "jvasp-34155",
"created_at": "2022-09-04T14:37:20.097377Z",
"updated_at": "2022-09-04T14:37:20.097403Z",
"structure_string": "Ce4 B2 N5\n1.0\n3.419777 0.000000 0.875744\n1.622699 6.057140 0.778347\n0.001705 -0.007509 7.108323\nCe B N\n4 2 5\ndirect\n0.074624 0.196741 0.654009 Ce\n0.925376 0.803259 0.345991 Ce\n0.687615 0.738131 0.886639 Ce\n0.312385 0.261869 0.113360 Ce\n0.411614 0.567667 0.609103 B\n0.588386 0.432333 0.390896 B\n0.291680 0.812595 0.604044 N\n0.708320 0.187404 0.395956 N\n0.000000 0.000000 0.000000 N\n0.379587 0.439795 0.801028 N\n0.620413 0.560204 0.198971 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"B",
"N"
],
"chemical_system": "B-Ce-N",
"density": 7.3543268715280705,
"density_atomic": 0.07470666157624102,
"volume": 147.24255866759722,
"volume_molar": 8.061049219625714,
"formula_full": "Ce4 B2 N5",
"formula_reduced": "Ce4B2N5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.63841121969697,
"spacegroup": 12
},
{
"id": "jvasp-34153",
"created_at": "2022-09-04T14:37:20.129604Z",
"updated_at": "2022-09-04T14:37:20.129624Z",
"structure_string": "Tb6 Br7\n1.0\n3.693849 -0.000000 0.676512\n1.164623 9.735090 4.063714\n-0.042966 0.193085 10.657321\nTb Br\n6 7\ndirect\n0.128085 0.299782 0.444046 Tb\n0.871913 0.700217 0.555954 Tb\n0.319407 0.002075 0.359112 Tb\n0.680592 -0.002075 0.640888 Tb\n0.774362 0.300459 0.150816 Tb\n0.225636 0.699541 0.849183 Tb\n0.499999 0.500000 0.500000 Br\n0.048249 0.169783 0.733718 Br\n0.951750 0.830216 0.266282 Br\n0.163300 0.515318 0.158083 Br\n0.836699 0.484682 0.841917 Br\n0.397660 0.152451 0.052228 Br\n0.602339 0.847549 0.947771 Br\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 6.597613746302057,
"density_atomic": 0.03414103092260522,
"volume": 380.77350474477123,
"volume_molar": 17.639012640396462,
"formula_full": "Tb6 Br7",
"formula_reduced": "Tb6Br7",
"formula_anonymous": "A6B7",
"energy_above_hull": 0.8280646153846155,
"spacegroup": 12
},
{
"id": "jvasp-34157",
"created_at": "2022-09-04T14:37:20.173187Z",
"updated_at": "2022-09-04T14:37:20.173216Z",
"structure_string": "Tb4 Fe2 Si4\n1.0\n4.033695 -0.000000 0.953221\n1.963289 5.286039 0.703252\n0.005618 -0.062897 8.987429\nTb Fe Si\n4 2 4\ndirect\n0.188914 0.728772 0.893402 Tb\n0.811088 0.271227 0.106598 Tb\n0.997867 0.332198 0.672072 Tb\n0.002136 0.667802 0.327928 Tb\n0.726743 0.923456 0.623061 Fe\n0.273259 0.076544 0.376939 Fe\n0.500724 0.126554 0.872000 Si\n0.499278 0.873445 0.127999 Si\n0.340898 0.752112 0.566094 Si\n0.659104 0.247888 0.433906 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Tb",
"density": 7.448530042911849,
"density_atomic": 0.052174425687085454,
"volume": 191.6647834319193,
"volume_molar": 11.54232304561934,
"formula_full": "Tb4 Fe2 Si4",
"formula_reduced": "Tb2FeSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5379239,
"spacegroup": 12
}
]
}