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{
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"results": [
{
"id": "jvasp-47094",
"created_at": "2022-09-04T14:38:08.476010Z",
"updated_at": "2022-09-04T14:38:08.476033Z",
"structure_string": "Li8 Ni1 O4 F2\n1.0\n5.186941 -0.032537 -0.022480\n-1.759166 4.997155 0.051959\n-2.386640 -0.913549 5.066458\nLi Ni O F\n8 1 4 2\ndirect\n0.187155 0.444630 0.291042 Li\n0.071782 0.200607 0.625276 Li\n0.429292 0.862197 0.634518 Li\n0.588075 0.243215 -0.047340 Li\n0.411924 0.756785 0.047341 Li\n0.570708 0.137803 0.365483 Li\n0.928217 0.799394 0.374724 Li\n0.812845 0.555370 0.708959 Li\n0.000000 0.000000 0.000000 Ni\n0.845469 0.097305 0.229761 O\n0.208966 0.806328 0.251004 O\n0.791034 0.193672 0.748997 O\n0.154531 0.902695 0.770240 O\n0.421348 0.509443 0.710534 F\n0.578652 0.490558 0.289467 F\n",
"nsites": 15,
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"elements": [
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"density_atomic": 0.11452274738580527,
"volume": 130.97834572085372,
"volume_molar": 5.258466896286166,
"formula_full": "Li8 Ni1 O4 F2",
"formula_reduced": "Li8Ni(O2F)2",
"formula_anonymous": "AB2C4D8",
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{
"id": "jvasp-32287",
"created_at": "2022-09-04T14:38:08.444204Z",
"updated_at": "2022-09-04T14:38:08.444218Z",
"structure_string": "Si6 C2 Cl16\n1.0\n7.572025 -0.018278 -3.758296\n-2.417444 8.503466 -0.851433\n0.003172 0.060791 9.023120\nSi C Cl\n6 2 16\ndirect\n0.112326 0.429837 0.604716 Si\n0.887675 0.570163 0.395284 Si\n0.691752 0.203825 0.338455 Si\n0.308249 0.796175 0.661545 Si\n0.982909 0.283890 0.216492 Si\n0.017092 0.716110 0.783508 Si\n0.909854 0.357193 0.377729 C\n0.090147 0.642807 0.622271 C\n0.095546 0.314702 0.784904 Cl\n0.904455 0.685299 0.215096 Cl\n0.716424 0.980909 0.300911 Cl\n0.356001 0.418062 0.614189 Cl\n0.467424 0.222866 0.129504 Cl\n0.532578 0.777134 0.870497 Cl\n0.627441 0.213913 0.531538 Cl\n0.372560 0.786087 0.468462 Cl\n0.100443 0.102612 0.275470 Cl\n0.899558 0.897388 0.724531 Cl\n0.762345 0.207599 0.979206 Cl\n0.237656 0.792401 0.020794 Cl\n0.169722 0.452165 0.193611 Cl\n0.830279 0.547835 0.806389 Cl\n0.644000 0.581939 0.385812 Cl\n0.283577 0.019091 0.699089 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"C",
"Cl"
],
"chemical_system": "C-Cl-Si",
"density": 2.169153212323169,
"density_atomic": 0.04126322266732337,
"volume": 581.631740048403,
"volume_molar": 14.594450871063385,
"formula_full": "Si6 C2 Cl16",
"formula_reduced": "Si3CCl8",
"formula_anonymous": "AB3C8",
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"spacegroup": 2
},
{
"id": "jvasp-32106",
"created_at": "2022-09-04T14:38:08.475243Z",
"updated_at": "2022-09-04T14:38:08.475268Z",
"structure_string": "Sb2 Te4 F12\n1.0\n5.440668 -0.027448 -0.022558\n-1.901556 7.282081 3.895261\n0.192086 -9.003222 3.859273\nSb Te F\n2 4 12\ndirect\n0.387183 0.833659 0.176463 Sb\n0.612817 0.166340 0.823536 Sb\n0.057150 0.323482 0.263503 Te\n0.162563 0.357563 0.552879 Te\n0.837437 0.642436 0.447120 Te\n0.942850 0.676518 0.736496 Te\n0.582490 0.073109 0.399390 F\n0.552547 0.357033 0.792826 F\n0.685792 0.826623 0.067332 F\n0.681226 0.974518 0.855810 F\n0.318774 0.025481 0.144189 F\n0.417510 0.926890 0.600609 F\n0.447453 0.642966 0.207173 F\n0.818794 0.389770 0.049340 F\n0.181206 0.610229 0.950660 F\n0.087798 0.854240 0.288227 F\n0.314208 0.173376 0.932667 F\n0.912202 0.145759 0.711772 F\n",
"nsites": 18,
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"elements": [
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"Te",
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],
"chemical_system": "F-Sb-Te",
"density": 4.751811296587262,
"density_atomic": 0.052458390593846216,
"volume": 343.12909329154184,
"volume_molar": 11.479842770293537,
"formula_full": "Sb2 Te4 F12",
"formula_reduced": "SbTe2F6",
"formula_anonymous": "AB2C6",
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"spacegroup": 2
},
{
"id": "jvasp-5647",
"created_at": "2022-09-04T14:38:08.409973Z",
"updated_at": "2022-09-04T14:38:08.409989Z",
"structure_string": "U2 Br10\n1.0\n6.561916 -0.133691 1.215321\n-3.124317 6.672799 -0.283257\n1.556084 -3.468354 9.768904\nU Br\n2 10\ndirect\n0.891698 -0.001064 0.217560 U\n0.108303 0.001064 0.782439 U\n0.531300 0.743709 0.340939 Br\n0.468700 0.256291 0.659060 Br\n0.262265 0.239632 0.047668 Br\n0.737736 0.760368 -0.047669 Br\n0.321798 0.750997 0.744744 Br\n0.678202 0.249003 0.255255 Br\n0.879760 0.250791 0.848912 Br\n0.120240 0.749209 0.151087 Br\n0.924894 0.749852 0.556659 Br\n0.075106 0.250149 0.443340 Br\n",
"nsites": 12,
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"elements": [
"U",
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],
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"density": 5.067530012942534,
"density_atomic": 0.028720035663470013,
"volume": 417.8267792077712,
"volume_molar": 20.96843064738866,
"formula_full": "U2 Br10",
"formula_reduced": "UBr5",
"formula_anonymous": "AB5",
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},
{
"id": "jvasp-44368",
"created_at": "2022-09-04T14:38:08.520621Z",
"updated_at": "2022-09-04T14:38:08.520650Z",
"structure_string": "Co2 P2 H2 O10\n1.0\n5.052927 -0.133840 0.068985\n-0.942746 4.984495 -0.001138\n-2.097516 -2.269238 6.118744\nCo P H O\n2 2 2 10\ndirect\n-0.000001 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.681621 0.324268 0.245136 P\n0.318378 0.675731 0.754864 P\n0.313344 -0.074985 0.302638 H\n0.686656 0.074985 0.697362 H\n0.898235 0.088375 0.745851 O\n0.672293 0.098706 0.362110 O\n0.249316 0.374338 0.587334 O\n0.375304 0.242837 0.072524 O\n0.909688 0.325045 0.136424 O\n0.090310 0.674954 0.863576 O\n0.624694 0.757162 0.927475 O\n0.750683 0.625661 0.412666 O\n0.327706 0.901293 0.637890 O\n0.101763 0.911624 0.254149 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-O-P",
"density": 3.6812043207528338,
"density_atomic": 0.10376682247487919,
"volume": 154.19186613210042,
"volume_molar": 5.803532011841159,
"formula_full": "Co2 P2 H2 O10",
"formula_reduced": "CoPHO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.8540417375,
"spacegroup": 2
},
{
"id": "jvasp-46172",
"created_at": "2022-09-04T14:38:08.700537Z",
"updated_at": "2022-09-04T14:38:08.700560Z",
"structure_string": "Sr4 Li4 Ni2 O8\n1.0\n5.346437 0.002674 -0.041830\n-0.769044 5.436157 0.000131\n-0.997971 -2.444380 7.917359\nSr Li Ni O\n4 4 2 8\ndirect\n0.272653 0.782010 0.023117 Sr\n0.832710 0.845788 0.305236 Sr\n0.167291 0.154212 0.694764 Sr\n0.727349 0.217989 0.976883 Sr\n0.801478 0.377704 0.454426 Li\n0.413425 0.117257 0.412054 Li\n0.586576 0.882743 0.587946 Li\n0.198523 0.622296 0.545574 Li\n0.708839 0.608353 0.756125 Ni\n0.291162 0.391647 0.243875 Ni\n0.576496 0.189207 0.239301 O\n0.212267 0.297572 0.997894 O\n0.126665 0.269928 0.423860 O\n0.323850 0.757678 0.360925 O\n0.676152 0.242322 0.639075 O\n0.873337 0.730072 0.576140 O\n0.787735 0.702428 0.002106 O\n0.423506 0.810793 0.760699 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Li-Ni-O-Sr",
"density": 4.505879917612073,
"density_atomic": 0.07832110530608075,
"volume": 229.82310999896606,
"volume_molar": 7.689039546192984,
"formula_full": "Sr4 Li4 Ni2 O8",
"formula_reduced": "Sr2Li2NiO4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.202829891111111,
"spacegroup": 2
},
{
"id": "jvasp-46798",
"created_at": "2022-09-04T14:38:09.036206Z",
"updated_at": "2022-09-04T14:38:09.036237Z",
"structure_string": "Cr5 Si4 O14\n1.0\n5.626462 -0.012913 0.017015\n-2.047842 7.056960 0.013845\n-0.101498 -3.079653 7.144890\nCr Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Cr\n0.077050 0.396232 0.807587 Cr\n0.650866 0.588368 0.699440 Cr\n0.349134 0.411633 0.300561 Cr\n0.922951 0.603769 0.192415 Cr\n0.499615 0.231530 0.863271 Si\n0.777703 0.211394 0.392453 Si\n0.222297 0.788607 0.607549 Si\n0.500385 0.768472 0.136730 Si\n0.459420 0.992256 0.726585 O\n0.589707 0.637417 0.244007 O\n0.997990 0.782323 0.745867 O\n0.329126 0.588710 0.566795 O\n0.677832 0.777350 0.969565 O\n0.322169 0.222651 0.030436 O\n0.540580 0.007746 0.273417 O\n0.002010 0.217679 0.254134 O\n0.410293 0.362585 0.755994 O\n0.208493 0.645783 0.045528 O\n0.791508 0.354219 0.954473 O\n0.876170 0.208740 0.585035 O\n0.670874 0.411291 0.433206 O\n0.123830 0.791262 0.414966 O\n",
"nsites": 23,
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"elements": [
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"O"
],
"chemical_system": "Cr-O-Si",
"density": 3.4883069082293057,
"density_atomic": 0.0810248709735403,
"volume": 283.8634572773456,
"volume_molar": 7.432459549323571,
"formula_full": "Cr5 Si4 O14",
"formula_reduced": "Cr5(Si2O7)2",
"formula_anonymous": "A4B5C14",
"energy_above_hull": 3.789137408695652,
"spacegroup": 2
},
{
"id": "jvasp-46889",
"created_at": "2022-09-04T14:38:09.141470Z",
"updated_at": "2022-09-04T14:38:09.141487Z",
"structure_string": "Li4 Ni3 O2 F6\n1.0\n5.099952 -0.004421 -0.004536\n-0.884988 -5.015197 0.004945\n-1.706288 0.270166 -5.596808\nLi Ni O F\n4 3 2 6\ndirect\n0.981899 0.261946 0.872488 Li\n0.018100 0.738053 0.127514 Li\n0.988041 0.239066 0.369444 Li\n0.011958 0.760933 0.630558 Li\n0.500000 -0.000000 0.000000 Ni\n0.501894 0.499189 0.239711 Ni\n0.498105 0.500811 0.760291 Ni\n0.725318 0.361026 0.055964 O\n0.274682 0.638973 0.944038 O\n0.231471 0.130506 0.174910 F\n0.779645 0.867525 0.310648 F\n0.760779 0.399583 0.566247 F\n0.239220 0.600417 0.433755 F\n0.768529 0.869494 0.825092 F\n0.220354 0.132475 0.689354 F\n",
"nsites": 15,
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"elements": [
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],
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"density": 4.056476852988529,
"density_atomic": 0.10474417222352998,
"volume": 143.20605797513156,
"volume_molar": 5.749380258739752,
"formula_full": "Li4 Ni3 O2 F6",
"formula_reduced": "Li4Ni3(OF3)2",
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},
{
"id": "jvasp-35203",
"created_at": "2022-09-04T14:38:09.529033Z",
"updated_at": "2022-09-04T14:38:09.529053Z",
"structure_string": "Li8 P4 O14\n1.0\n5.489584 -0.022955 0.001954\n-0.862439 5.677765 -0.030198\n-1.308957 -2.539527 9.451671\nLi P O\n8 4 14\ndirect\n0.195451 0.894270 0.193795 Li\n0.804548 0.105731 0.806204 Li\n0.589130 0.315197 0.420234 Li\n0.410869 0.684804 0.579765 Li\n0.697810 0.760808 0.302044 Li\n0.302189 0.239193 0.697955 Li\n0.694929 0.688723 0.000133 Li\n0.305070 0.311279 -0.000134 Li\n0.968459 0.777149 0.569122 P\n0.031540 0.222852 0.430877 P\n0.833346 0.291294 0.131380 P\n0.166653 0.708707 0.868619 P\n0.057279 0.759180 0.003930 O\n0.694772 0.669325 0.485470 O\n0.305227 0.330676 0.514529 O\n0.327778 0.979284 0.875067 O\n0.672220 0.020717 0.124932 O\n0.942720 0.240821 0.996069 O\n0.043088 0.369403 0.263125 O\n0.535902 0.025091 0.247663 O\n0.353278 0.533097 0.866741 O\n0.646721 0.466904 0.133259 O\n0.956910 0.630597 0.736874 O\n0.033243 0.957053 0.345973 O\n0.464097 0.974910 0.752336 O\n0.966755 0.042948 0.654027 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 2.2784855814437437,
"density_atomic": 0.0884339190607398,
"volume": 294.004837466744,
"volume_molar": 6.8097635205602085,
"formula_full": "Li8 P4 O14",
"formula_reduced": "Li4P2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.265019653846154,
"spacegroup": 2
},
{
"id": "jvasp-47004",
"created_at": "2022-09-04T14:38:09.433986Z",
"updated_at": "2022-09-04T14:38:09.434009Z",
"structure_string": "Li5 Cr2 Fe3 O10\n1.0\n5.074119 0.041040 0.069348\n0.910919 4.936332 0.019342\n2.608726 2.080096 7.065844\nLi Cr Fe O\n5 2 3 10\ndirect\n0.503442 0.785872 0.408565 Li\n0.506858 0.607410 0.779506 Li\n0.999017 0.499267 0.500173 Li\n0.491239 0.391149 0.220808 Li\n0.494620 0.212668 0.591742 Li\n0.001893 0.901633 0.690210 Cr\n0.996184 0.096920 0.310123 Cr\n0.003182 0.689377 0.102274 Fe\n0.499023 0.999284 0.000156 Fe\n-0.005080 0.309173 0.898054 Fe\n0.223687 0.133881 0.455574 O\n0.226224 0.943335 0.846405 O\n0.774395 0.864671 0.544755 O\n0.743489 0.668182 0.941524 O\n0.254086 0.773800 0.236379 O\n0.227555 0.553957 0.663018 O\n0.770518 0.444589 0.337314 O\n0.743999 0.224761 0.763950 O\n0.254598 0.330385 0.058809 O\n0.771880 0.055220 0.153910 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.4049425671886295,
"density_atomic": 0.11379533877972929,
"volume": 175.75412327488638,
"volume_molar": 5.29208034755879,
"formula_full": "Li5 Cr2 Fe3 O10",
"formula_reduced": "Li5Cr2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.904575815,
"spacegroup": 2
},
{
"id": "jvasp-45933",
"created_at": "2022-09-04T14:38:09.502416Z",
"updated_at": "2022-09-04T14:38:09.502445Z",
"structure_string": "Li4 V3 Cr1 O8\n1.0\n5.121296 -0.017153 0.005118\n-0.812236 4.992870 0.005221\n-1.675748 -0.286139 5.595470\nLi V Cr O\n4 3 1 8\ndirect\n0.996224 0.002368 0.997869 Li\n-0.004745 0.497251 0.246524 Li\n0.004744 0.002749 0.503474 Li\n0.003774 0.497630 0.752132 Li\n0.500164 0.750784 0.133546 V\n0.500000 0.250002 0.374999 V\n0.499838 0.749216 0.616456 V\n0.500001 0.250001 0.875002 Cr\n0.730588 0.125269 0.180163 O\n0.269354 0.376445 0.065074 O\n0.742183 0.620814 0.435751 O\n0.257816 0.879188 0.314250 O\n0.730645 0.123556 0.684925 O\n0.269411 0.374732 0.569839 O\n0.722684 0.620217 0.930509 O\n0.277315 0.879783 0.819492 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.185652351579351,
"density_atomic": 0.11184913915797486,
"volume": 143.0498269405697,
"volume_molar": 5.3841637095609425,
"formula_full": "Li4 V3 Cr1 O8",
"formula_reduced": "Li4V3CrO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.96559175,
"spacegroup": 2
},
{
"id": "jvasp-46267",
"created_at": "2022-09-04T14:38:09.562659Z",
"updated_at": "2022-09-04T14:38:09.562684Z",
"structure_string": "Li8 Cr2 O8\n1.0\n-5.131995 -0.025269 0.024443\n1.951163 4.795088 -0.010414\n-0.923462 -2.376685 -7.207075\nLi Cr O\n8 2 8\ndirect\n0.741477 0.239952 0.004668 Li\n0.218021 0.395019 0.209464 Li\n0.252717 0.914748 0.417718 Li\n0.759366 0.492851 0.437838 Li\n0.240634 0.507150 0.562161 Li\n0.747282 0.085253 0.582281 Li\n0.781979 0.604982 0.790535 Li\n0.258523 0.760049 0.995331 Li\n0.219028 0.161422 0.775918 Cr\n0.780971 0.838579 0.224082 Cr\n0.660252 0.839530 0.018217 O\n0.001022 0.630252 0.194475 O\n0.516471 0.699546 0.384330 O\n0.969932 0.197580 0.374646 O\n0.030067 0.802421 0.625353 O\n0.483529 0.300455 0.615670 O\n-0.001021 0.369749 0.805524 O\n0.339748 0.160471 0.981782 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.6955099717664797,
"density_atomic": 0.10162562720476155,
"volume": 177.1206780720034,
"volume_molar": 5.925809193645833,
"formula_full": "Li8 Cr2 O8",
"formula_reduced": "Li4CrO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.0220257111111115,
"spacegroup": 2
}
]
}