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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=294",
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"results": [
{
"id": "jvasp-53482",
"created_at": "2022-09-04T14:38:11.095020Z",
"updated_at": "2022-09-04T14:38:11.095053Z",
"structure_string": "Na2 C1 O5\n1.0\n5.092234 0.182244 1.454593\n2.555887 4.408118 1.454593\n0.517754 0.310753 6.282577\nNa C O\n2 1 5\ndirect\n0.917235 0.917235 0.017485 Na\n0.005322 0.005322 0.523403 Na\n0.645840 0.645840 0.767330 C\n0.300508 0.562399 0.292923 O\n0.562398 0.300508 0.292923 O\n0.363177 0.809928 0.736566 O\n0.809928 0.363176 0.736567 O\n0.761590 0.761590 0.826805 O\n",
"nsites": 8,
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"volume": 133.7705969369906,
"volume_molar": 10.069817053797278,
"formula_full": "Na2 C1 O5",
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"formula_anonymous": "AB2C5",
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{
"id": "jvasp-33182",
"created_at": "2022-09-04T14:38:10.787709Z",
"updated_at": "2022-09-04T14:38:10.787733Z",
"structure_string": "Pb4 Se1 Br6\n1.0\n4.256743 -0.000251 1.001800\n1.174942 8.644123 4.554686\n0.030786 0.049527 9.411794\nPb Se Br\n4 1 6\ndirect\n-0.008620 0.008964 0.005333 Pb\n0.230513 0.547126 0.988879 Pb\n0.500421 0.530607 0.465712 Pb\n0.738583 0.019597 0.500097 Pb\n0.027093 0.690449 0.252465 Se\n0.363555 0.090385 0.179614 Br\n0.636301 0.844047 0.880365 Br\n0.107772 0.183822 0.597559 Br\n0.875114 0.423724 0.823059 Br\n0.313817 0.770854 0.598406 Br\n0.694063 0.372107 0.236807 Br\n",
"nsites": 11,
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"elements": [
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"density_atomic": 0.03187031325576143,
"volume": 345.14878820688875,
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"formula_full": "Pb4 Se1 Br6",
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"formula_anonymous": "AB4C6",
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"spacegroup": 8
},
{
"id": "jvasp-10739",
"created_at": "2022-09-04T14:38:11.837691Z",
"updated_at": "2022-09-04T14:38:11.837717Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n3.447865 -0.000243 -0.000163\n-1.723441 6.691006 -0.284412\n-1.723477 -1.884552 9.180529\nMg Bi O\n1 4 8\ndirect\n0.497591 0.201995 0.793044 Mg\n0.263186 0.641533 0.884719 Bi\n0.327790 0.207292 0.448161 Bi\n0.678699 0.797458 0.559805 Bi\n0.801214 0.428691 0.173612 Bi\n0.422824 0.526109 0.319421 O\n0.329865 0.885126 0.774469 O\n0.727235 0.165443 0.288887 O\n0.620090 0.497527 0.742518 O\n0.883181 0.731463 0.034797 O\n0.886229 0.133221 0.639109 O\n0.139021 0.340031 0.937876 O\n0.151195 0.874766 0.427478 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Bi-Mg-O",
"density": 7.816520222144287,
"density_atomic": 0.061923184209889376,
"volume": 209.93752446476822,
"volume_molar": 9.725179408713677,
"formula_full": "Mg1 Bi4 O8",
"formula_reduced": "Mg(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.976349557692308,
"spacegroup": 8
},
{
"id": "jvasp-44389",
"created_at": "2022-09-04T14:38:11.105912Z",
"updated_at": "2022-09-04T14:38:11.105937Z",
"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n5.579642 -0.000484 0.001238\n-2.789367 4.859806 0.084478\n-0.002102 -0.153420 8.611279\nMn Fe Co O\n2 3 3 16\ndirect\n0.663880 0.327780 0.486887 Mn\n0.331811 0.663639 0.991007 Mn\n0.834254 0.668522 0.210402 Fe\n0.168510 0.832954 0.712284 Fe\n0.664424 0.832953 0.712287 Fe\n0.336293 0.169789 0.208614 Co\n0.833480 0.169790 0.208616 Co\n0.167042 0.334100 0.708842 Co\n0.166107 0.828067 0.101090 O\n0.334367 0.668752 0.600030 O\n0.480357 0.520035 0.838587 O\n0.039666 0.520040 0.838584 O\n0.833864 0.667751 0.598936 O\n0.166820 0.333665 0.100197 O\n0.959113 0.480262 0.340036 O\n-0.000523 -0.001039 0.317540 O\n0.832143 0.164515 0.600419 O\n-0.000549 -0.001083 0.820327 O\n0.482458 0.964937 0.842350 O\n0.670057 0.340139 0.099645 O\n0.520792 0.041593 0.337509 O\n0.332356 0.164517 0.600416 O\n0.521135 0.480266 0.340029 O\n0.661943 0.828071 0.101091 O\n",
"nsites": 24,
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"elements": [
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"Fe",
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"O"
],
"chemical_system": "Co-Fe-Mn-O",
"density": 5.049212203018993,
"density_atomic": 0.10275534981142555,
"volume": 233.5644814994479,
"volume_molar": 5.860659100525379,
"formula_full": "Mn2 Fe3 Co3 O16",
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"formula_anonymous": "A2B3C3D16",
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{
"id": "jvasp-43691",
"created_at": "2022-09-04T14:38:11.343009Z",
"updated_at": "2022-09-04T14:38:11.343032Z",
"structure_string": "V3 Cu1 O8\n1.0\n6.172470 -0.058811 0.066577\n-5.021649 3.589690 -0.066577\n-1.753955 0.571667 6.297497\nV Cu O\n3 1 8\ndirect\n0.401142 0.598859 0.283562 V\n0.601907 0.398095 0.723240 V\n0.302467 0.697535 0.715674 V\n0.705016 0.294985 0.296795 Cu\n0.130670 0.869331 0.683467 O\n0.245288 0.754713 0.361133 O\n0.361306 0.638696 0.988769 O\n0.439978 0.560024 0.633068 O\n0.551703 0.448298 0.358782 O\n0.619948 0.380054 0.978051 O\n0.768462 0.231540 0.688624 O\n0.872123 0.127878 0.288840 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.1397697400422,
"density_atomic": 0.08687372556722615,
"volume": 138.13152275498936,
"volume_molar": 6.932062278530741,
"formula_full": "V3 Cu1 O8",
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"formula_anonymous": "AB3C8",
"energy_above_hull": 3.069414254166668,
"spacegroup": 8
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{
"id": "jvasp-49976",
"created_at": "2022-09-04T14:38:11.476390Z",
"updated_at": "2022-09-04T14:38:11.476407Z",
"structure_string": "Li1 Ti3 O6\n1.0\n7.126748 1.480727 0.060727\n-7.126748 1.480727 -0.060727\n-0.191395 0.000000 4.948054\nLi Ti O\n1 3 6\ndirect\n0.779934 0.220068 0.934593 Li\n0.348988 0.651014 0.476590 Ti\n0.003759 0.996243 0.998885 Ti\n0.653899 0.346104 0.512990 Ti\n0.099037 0.900965 0.302334 O\n0.229601 0.770401 0.710521 O\n0.434964 0.565038 0.187368 O\n0.565552 0.434450 0.806032 O\n0.774055 0.225947 0.302305 O\n0.898024 0.101979 0.708077 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Li-O-Ti",
"density": 3.918859800659672,
"density_atomic": 0.09572515010413679,
"volume": 104.4657541839451,
"volume_molar": 6.291074762952762,
"formula_full": "Li1 Ti3 O6",
"formula_reduced": "LiTi3O6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.8806496,
"spacegroup": 8
},
{
"id": "jvasp-46174",
"created_at": "2022-09-04T14:38:11.515511Z",
"updated_at": "2022-09-04T14:38:11.515543Z",
"structure_string": "Rb1 Li7 Ni2 O6\n1.0\n3.646610 -0.002704 0.001012\n-1.819665 4.978325 -0.022224\n-0.003087 -0.467543 9.859651\nRb Li Ni O\n1 7 2 6\ndirect\n0.010796 0.022222 0.007649 Rb\n0.180018 0.360663 0.259828 Li\n0.744831 0.490239 0.096001 Li\n0.223400 0.447408 0.580649 Li\n0.742768 0.486141 0.410717 Li\n0.277015 0.554565 0.895751 Li\n0.825227 0.650953 0.724716 Li\n0.468801 0.937791 0.534675 Li\n0.576277 0.153054 0.755331 Ni\n0.432956 0.866513 0.263071 Ni\n0.613955 0.228543 0.240846 O\n0.657661 0.315909 0.586572 O\n0.709531 0.419612 0.891018 O\n0.316449 0.633495 0.108477 O\n0.321686 0.643982 0.409531 O\n0.391233 0.782949 0.723095 O\n",
"nsites": 16,
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"elements": [
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"Li",
"Ni",
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],
"chemical_system": "Li-Ni-O-Rb",
"density": 3.224778393223921,
"density_atomic": 0.08943210315745424,
"volume": 178.90667260536617,
"volume_molar": 6.733757283329693,
"formula_full": "Rb1 Li7 Ni2 O6",
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"formula_anonymous": "AB2C6D7",
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{
"id": "jvasp-44769",
"created_at": "2022-09-04T14:38:12.249540Z",
"updated_at": "2022-09-04T14:38:12.249563Z",
"structure_string": "Li4 Ti3 Cr3 W2 O16\n1.0\n-5.904245 -0.000313 0.000236\n2.951777 5.082692 -0.018585\n-0.000267 -0.151382 -9.656281\nLi Ti Cr W O\n4 3 3 2 16\ndirect\n0.665953 0.331932 0.899900 Li\n0.997289 0.994588 0.991080 Li\n0.994767 0.989530 0.495086 Li\n0.333706 0.667434 0.404040 Li\n0.340119 0.175961 0.217436 Ti\n0.835820 0.175968 0.217436 Ti\n0.169706 0.339432 0.716496 Ti\n0.170278 0.830642 0.712324 Cr\n0.660345 0.830642 0.712323 Cr\n0.830299 0.660622 0.210971 Cr\n0.666277 0.332575 0.487996 W\n0.336176 0.672372 0.986519 W\n0.165924 0.331868 0.099219 O\n0.166206 0.834457 0.093361 O\n0.330343 0.660714 0.604646 O\n0.482455 0.519845 0.843322 O\n0.037363 0.519842 0.843321 O\n0.830892 0.661802 0.596588 O\n0.965385 0.488095 0.341728 O\n0.516907 0.033837 0.341919 O\n0.835257 0.167444 0.597369 O\n0.000368 0.000756 0.808108 O\n0.999604 0.999233 0.311312 O\n0.663453 0.326931 0.104058 O\n0.481735 0.963487 0.838816 O\n0.332174 0.167448 0.597372 O\n0.522685 0.488091 0.341729 O\n0.668232 0.834459 0.093359 O\n",
"nsites": 28,
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],
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"density": 5.449554640743525,
"density_atomic": 0.09662257458377516,
"volume": 289.7873516682483,
"volume_molar": 6.232643650763613,
"formula_full": "Li4 Ti3 Cr3 W2 O16",
"formula_reduced": "Li4Ti3Cr3(WO8)2",
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{
"id": "jvasp-12706",
"created_at": "2022-09-04T14:38:12.317065Z",
"updated_at": "2022-09-04T14:38:12.317081Z",
"structure_string": "Y1 Mo3 O8\n1.0\n5.196821 -0.045417 -0.027762\n-0.009732 5.761276 -0.028054\n-0.008180 2.846725 5.009072\nY Mo O\n1 3 8\ndirect\n0.262752 0.678726 0.679060 Y\n0.742321 0.163695 0.691002 Mo\n0.746876 0.147194 0.147540 Mo\n0.742315 0.690654 0.164041 Mo\n0.547051 0.486189 0.014812 O\n0.941314 0.333342 0.333687 O\n0.981015 0.328208 0.836667 O\n0.957256 0.838618 0.838962 O\n0.547063 0.014458 0.486545 O\n0.474354 -0.016785 -0.016437 O\n0.981011 0.836316 0.328551 O\n0.537563 0.497304 0.497656 O\n",
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],
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"density": 5.573071272690625,
"density_atomic": 0.07979493547476223,
"volume": 150.385484098742,
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"formula_full": "Y1 Mo3 O8",
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"formula_anonymous": "AB3C8",
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"spacegroup": 8
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{
"id": "jvasp-44730",
"created_at": "2022-09-04T14:38:12.537490Z",
"updated_at": "2022-09-04T14:38:12.537510Z",
"structure_string": "Li4 Fe5 Co3 O16\n1.0\n5.622854 0.005379 0.033894\n-2.800426 4.857887 0.000283\n-0.039746 -0.023645 9.076609\nLi Fe Co O\n4 5 3 16\ndirect\n0.663554 0.331783 0.105568 Li\n0.997469 0.998741 0.001622 Li\n0.999459 0.999748 0.503673 Li\n0.333363 0.666696 0.607571 Li\n0.668219 0.334125 0.513416 Fe\n0.343579 0.171799 0.788849 Fe\n0.332487 0.666252 0.008291 Fe\n0.170126 0.825241 0.286558 Fe\n0.170127 0.344912 0.286557 Fe\n0.659146 0.829586 0.287926 Co\n0.827697 0.657784 0.788253 Co\n0.827697 0.169934 0.788253 Co\n0.664068 0.832045 0.901750 O\n0.169949 0.834787 0.898402 O\n0.333693 0.666860 0.397866 O\n0.476815 0.519797 0.158580 O\n0.476811 0.957038 0.158578 O\n0.334731 0.167380 0.398357 O\n0.520834 0.042098 0.657459 O\n0.958772 0.479393 0.659101 O\n0.836543 0.172231 0.400179 O\n0.002123 0.001076 0.193334 O\n0.002209 0.001110 0.694543 O\n0.665431 0.332731 0.897166 O\n0.037765 0.518897 0.154244 O\n0.836544 0.664344 0.400183 O\n0.520829 0.478757 0.657463 O\n0.169946 0.335178 0.898406 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.951860011067761,
"density_atomic": 0.11286916248122107,
"volume": 248.0748451080124,
"volume_molar": 5.3355058437701715,
"formula_full": "Li4 Fe5 Co3 O16",
"formula_reduced": "Li4Fe5Co3O16",
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{
"id": "jvasp-36773",
"created_at": "2022-09-04T14:38:12.735103Z",
"updated_at": "2022-09-04T14:38:12.735130Z",
"structure_string": "Ag1 Cl1 O2\n1.0\n4.310077 -0.007277 0.021169\n-2.150834 3.702688 0.388986\n-0.025202 -0.577751 5.003442\nAg Cl O\n1 1 2\ndirect\n0.908692 0.568808 0.095717 Ag\n0.578462 0.908259 0.017488 Cl\n0.100641 -0.047573 0.531571 O\n0.267218 0.285826 0.514075 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.604470399488552,
"density_atomic": 0.04952459073345845,
"volume": 80.76795670110666,
"volume_molar": 12.159900103791239,
"formula_full": "Ag1 Cl1 O2",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-51719",
"created_at": "2022-09-04T14:38:12.938922Z",
"updated_at": "2022-09-04T14:38:12.938938Z",
"structure_string": "K1 P1 H2 S1 O3\n1.0\n3.069850 3.158346 -1.073918\n-3.069850 3.158346 1.073918\n-0.010184 0.000000 5.872523\nK P H S O\n1 1 2 1 3\ndirect\n0.156526 0.843475 0.392715 K\n0.654724 0.345278 0.889854 P\n0.167395 0.204020 0.807348 H\n0.795981 0.832606 0.807348 H\n0.608190 0.391811 0.206328 S\n0.896712 0.103289 0.905434 O\n0.346738 0.260431 0.724490 O\n0.739571 0.653263 0.724490 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.2200169032201784,
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"volume": 113.80675298117144,
"volume_molar": 8.567003573639552,
"formula_full": "K1 P1 H2 S1 O3",
"formula_reduced": "KPH2SO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 2.1808355,
"spacegroup": 8
}
]
}