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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=28",
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"results": [
{
"id": "jvasp-86527",
"created_at": "2022-09-04T14:35:58.670737Z",
"updated_at": "2022-09-04T14:35:58.670768Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242110 0.018154 -0.832651\n-0.494071 6.775537 -2.004865\n0.006859 -0.022367 9.109070\nTi Tl P S\n2 2 2 10\ndirect\n0.502336 0.276917 0.000818 Ti\n0.497664 0.723082 0.999182 Ti\n0.725279 0.685059 0.450929 Tl\n0.274722 0.314940 0.549070 Tl\n0.277292 0.895436 0.729093 P\n0.722708 0.104564 0.270906 P\n0.155971 0.692602 0.826389 S\n0.332399 0.543734 0.132522 S\n0.397101 0.061706 0.175279 S\n0.602899 0.938293 0.824720 S\n0.159285 0.163871 0.831310 S\n0.772791 0.188061 0.501786 S\n0.667601 0.456265 0.867478 S\n0.227209 0.811938 0.498213 S\n0.840715 0.836128 0.168690 S\n0.844029 0.307397 0.173610 S\n",
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"formula_full": "Ti2 Tl2 P2 S10",
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{
"id": "jvasp-63159",
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"updated_at": "2022-09-04T14:35:59.005637Z",
"structure_string": "La3 Si3 B3 O15\n1.0\n3.431347 -5.943267 0.000000\n3.431347 5.943267 -0.000000\n0.000000 -0.000000 6.834230\nLa Si B O\n3 3 3 15\ndirect\n0.600918 0.000000 0.833333 La\n0.399083 0.399083 0.500000 La\n0.000000 0.600918 0.166667 La\n0.581609 0.000000 0.333333 Si\n0.418392 0.418392 0.000000 Si\n0.000000 0.581609 0.666667 Si\n0.108653 0.000000 0.833333 B\n0.891348 0.891348 0.500000 B\n0.000000 0.108653 0.166667 B\n0.039199 0.000000 0.333333 O\n0.605716 0.469188 0.166331 O\n0.863471 0.394285 0.832998 O\n0.530813 0.136530 0.499664 O\n0.394285 0.863471 0.167002 O\n0.136530 0.530813 0.500336 O\n0.655471 0.846448 0.471281 O\n0.344530 0.190978 0.862052 O\n0.846448 0.655471 0.528719 O\n0.809023 0.153553 0.195385 O\n0.960802 0.960802 0.000000 O\n0.153553 0.809023 0.804615 O\n0.190978 0.344530 0.137948 O\n0.469188 0.605716 0.833669 O\n0.000000 0.039199 0.666667 O\n",
"nsites": 24,
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"elements": [
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"B",
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],
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"density": 4.607253022729184,
"density_atomic": 0.08609972717702909,
"volume": 278.7465278566302,
"volume_molar": 6.994378446307868,
"formula_full": "La3 Si3 B3 O15",
"formula_reduced": "LaSiBO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.7374867104166665,
"spacegroup": 152
},
{
"id": "jvasp-111627",
"created_at": "2022-09-04T14:38:40.650589Z",
"updated_at": "2022-09-04T14:38:40.650623Z",
"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.417950 -0.019598 0.572174\n-7.005056 4.668130 0.572174\n-0.011802 -0.038828 5.414475\nCa Zn Si O\n2 2 2 10\ndirect\n0.225511 0.083976 0.112755 Ca\n0.083976 0.225511 0.612755 Ca\n0.768817 0.269285 0.992445 Zn\n0.269285 0.768818 0.492445 Zn\n0.650895 0.376216 0.508187 Si\n0.376216 0.650896 0.008186 Si\n0.787872 0.836387 0.365883 O\n0.836387 0.787872 0.865883 O\n0.702999 0.992231 0.922337 O\n0.992231 0.702999 0.422337 O\n0.597137 0.179209 0.339378 O\n0.179209 0.597137 0.839378 O\n0.549997 0.232902 0.807729 O\n0.232902 0.549998 0.307729 O\n0.441465 0.347094 0.435286 O\n0.347094 0.441465 0.935286 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Zn",
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"O"
],
"chemical_system": "Ca-O-Si-Zn",
"density": 3.339385751151804,
"density_atomic": 0.07533004872820949,
"volume": 212.39864131414458,
"volume_molar": 7.994340720165813,
"formula_full": "Ca2 Zn2 Si2 O10",
"formula_reduced": "CaZnSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 9
},
{
"id": "jvasp-57086",
"created_at": "2022-09-04T14:37:49.646889Z",
"updated_at": "2022-09-04T14:37:49.646914Z",
"structure_string": "K2 Ti2 P2 S10\n1.0\n6.273909 0.001589 -0.812425\n-0.343538 6.583012 -2.640069\n0.001493 -0.021940 9.494851\nK Ti P S\n2 2 2 10\ndirect\n0.729919 0.229700 0.459401 K\n0.270080 0.770300 0.540599 K\n0.500000 0.777469 0.000000 Ti\n0.500000 0.222530 0.000000 Ti\n0.715627 0.634063 0.268127 P\n0.284372 0.365937 0.731873 P\n0.163600 0.648560 0.828528 S\n0.239148 0.251174 0.502349 S\n0.836399 0.351440 0.171472 S\n0.392960 0.586465 0.172930 S\n0.836399 0.820032 0.171472 S\n0.326009 0.063263 0.126527 S\n0.673990 0.936737 0.873474 S\n0.607040 0.413535 0.827070 S\n0.163600 0.179968 0.828529 S\n0.760851 0.748826 0.497651 S\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.3587398440665175,
"density_atomic": 0.04083793864001841,
"volume": 391.7925471468603,
"volume_molar": 14.746436672733305,
"formula_full": "K2 Ti2 P2 S10",
"formula_reduced": "KTiPS5",
"formula_anonymous": "ABCD5",
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"spacegroup": 12
},
{
"id": "jvasp-112601",
"created_at": "2022-09-04T14:38:41.692268Z",
"updated_at": "2022-09-04T14:38:41.692288Z",
"structure_string": "Ca2 Al2 Si2 O10\n1.0\n5.252067 -0.002593 1.227906\n-1.901257 4.895860 1.227906\n0.020643 0.030146 6.975509\nCa Al Si O\n2 2 2 10\ndirect\n0.673158 0.326843 0.750001 Ca\n0.326842 0.673158 0.250001 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.316054 0.683947 0.750001 Si\n0.683946 0.316055 0.250001 Si\n0.938195 0.061807 0.750000 O\n0.061805 0.938195 0.250001 O\n0.307131 0.884321 0.893776 O\n0.692869 0.115681 0.106225 O\n0.115680 0.692869 0.606225 O\n0.884320 0.307132 0.393776 O\n0.632136 0.757262 0.600988 O\n0.367864 0.242740 0.399013 O\n0.242739 0.367865 0.899013 O\n0.757261 0.632137 0.100988 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.2505780458095925,
"density_atomic": 0.08941514535960618,
"volume": 178.9406026870711,
"volume_molar": 6.7350343566298525,
"formula_full": "Ca2 Al2 Si2 O10",
"formula_reduced": "CaAlSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.020614915,
"spacegroup": 15
},
{
"id": "jvasp-9498",
"created_at": "2022-09-04T14:38:10.040743Z",
"updated_at": "2022-09-04T14:38:10.040757Z",
"structure_string": "Zn2 Si2 Ni2 O10\n1.0\n5.066200 -0.236604 0.058118\n-1.353799 5.142135 -0.011580\n-1.676635 -2.311354 6.202952\nZn Si Ni O\n2 2 2 10\ndirect\n0.344044 0.197522 0.789458 Zn\n0.664438 0.792301 0.239638 Zn\n0.691100 0.810744 0.748488 Si\n0.317392 0.179102 0.280622 Si\n0.004249 0.494922 0.514555 Ni\n0.004251 0.494925 0.014554 Ni\n0.715263 0.641568 0.921038 O\n0.972635 0.840854 0.657608 O\n0.293234 0.348280 0.108074 O\n0.035860 0.148990 0.371504 O\n0.616349 0.295101 0.486741 O\n0.305115 0.861201 0.148821 O\n0.392150 0.694758 0.542371 O\n0.703386 0.128646 0.880289 O\n0.871412 0.535143 0.253490 O\n0.137100 0.454710 0.775618 O\n",
"nsites": 16,
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"elements": [
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"Ni",
"O"
],
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"density": 4.814903504382221,
"density_atomic": 0.09990667492753373,
"volume": 160.1494595992253,
"volume_molar": 6.027766177152926,
"formula_full": "Zn2 Si2 Ni2 O10",
"formula_reduced": "ZnSiNiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.9200948625,
"spacegroup": 2
},
{
"id": "jvasp-40542",
"created_at": "2022-09-04T14:37:47.390705Z",
"updated_at": "2022-09-04T14:37:47.390727Z",
"structure_string": "Rb2 Ta2 Ge2 S10\n1.0\n7.034489 0.024766 -0.045809\n1.795286 6.777878 -0.109876\n1.810642 2.664292 8.394517\nRb Ta Ge S\n2 2 2 10\ndirect\n0.582628 0.374073 0.314598 Rb\n0.417372 0.625928 0.685402 Rb\n0.239589 0.031811 0.005318 Ta\n0.760411 0.968190 0.994682 Ta\n0.979119 0.709439 0.378544 Ge\n0.020882 0.290562 0.621456 Ge\n0.070215 0.748192 -0.000127 S\n0.435681 0.238593 0.029582 S\n0.690335 0.882276 0.293755 S\n0.226976 0.873938 0.298841 S\n0.066183 0.384423 0.351098 S\n0.933817 0.615577 0.648902 S\n0.773024 0.126063 0.701159 S\n0.309665 0.117725 0.706245 S\n0.564319 0.761408 0.970418 S\n0.929786 0.251809 0.000127 S\n",
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"density": 4.122853797544845,
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"formula_full": "Rb2 Ta2 Ge2 S10",
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},
{
"id": "jvasp-9487",
"created_at": "2022-09-04T14:38:27.586209Z",
"updated_at": "2022-09-04T14:38:27.586230Z",
"structure_string": "Ti2 Zn2 Si2 O10\n1.0\n5.429903 -0.032013 0.007963\n-0.698068 5.384952 -0.006256\n-2.128784 -2.390304 6.590331\nTi Zn Si O\n2 2 2 10\ndirect\n0.006505 0.493682 0.506379 Ti\n0.991512 0.508617 0.006400 Ti\n0.822898 0.912522 0.355583 Zn\n0.410447 0.325306 0.855731 Zn\n0.325290 0.137402 0.230899 Si\n0.635331 0.827489 0.730797 Si\n0.272548 0.321893 0.086006 O\n0.135564 0.186960 0.371230 O\n0.684968 0.637967 0.871305 O\n0.820062 0.774928 0.586095 O\n0.324056 0.737585 0.584251 O\n0.696609 0.141287 0.866917 O\n0.639090 0.198920 0.367130 O\n0.235736 0.826055 0.084569 O\n0.069892 0.396490 0.731891 O\n0.894021 0.571918 0.231779 O\n",
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"elements": [
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],
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"density": 3.8174596651642183,
"density_atomic": 0.08308433408136032,
"volume": 192.57541360723917,
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"formula_full": "Ti2 Zn2 Si2 O10",
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{
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"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,
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],
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"formula_full": "Co2 P2 H2 O10",
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"spacegroup": 2
},
{
"id": "jvasp-85698",
"created_at": "2022-09-04T14:35:43.247497Z",
"updated_at": "2022-09-04T14:35:43.247524Z",
"structure_string": "Ca2 Si2 Sn2 O10\n1.0\n6.647830 -0.064934 -2.809800\n-0.044925 4.526417 3.397631\n0.028845 -4.466036 3.295044\nCa Si Sn O\n2 2 2 10\ndirect\n0.781296 0.829742 0.151371 Ca\n0.218702 0.170257 0.848628 Ca\n0.252088 0.822539 0.187002 Si\n0.747910 0.177460 0.812997 Si\n0.499999 0.499999 0.499999 Sn\n-0.000001 0.499999 0.499999 Sn\n0.248907 0.414866 0.595601 O\n0.751091 0.585133 0.404398 O\n0.073138 0.750976 0.903986 O\n0.926861 0.249023 0.096013 O\n0.403970 0.112210 0.230449 O\n0.596029 0.887789 0.769549 O\n0.627682 0.390749 0.818408 O\n0.372316 0.609250 0.181590 O\n0.865726 0.166911 0.585713 O\n0.134272 0.833088 0.414285 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.435667272930746,
"density_atomic": 0.08007543041691145,
"volume": 199.81160159484944,
"volume_molar": 7.5205849392826485,
"formula_full": "Ca2 Si2 Sn2 O10",
"formula_reduced": "CaSiSnO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.8724222775,
"spacegroup": 2
},
{
"id": "jvasp-48202",
"created_at": "2022-09-04T14:37:56.995457Z",
"updated_at": "2022-09-04T14:37:56.995488Z",
"structure_string": "Li2 V2 P2 O10\n1.0\n0.000000 5.842740 0.000000\n-7.313700 2.921371 0.117111\n-0.810019 0.000000 4.903661\nLi V P O\n2 2 2 10\ndirect\n0.135994 0.728012 0.052249 Li\n0.864006 0.271988 0.947751 Li\n0.221100 0.000000 0.500000 V\n0.778899 0.000000 0.500000 V\n0.642037 0.715924 0.719522 P\n0.357963 0.284076 0.280478 P\n0.376115 0.805691 0.823898 O\n0.818193 0.805691 0.823898 O\n0.051764 0.896473 0.315779 O\n0.581795 0.836410 0.415294 O\n0.744389 0.511221 0.755517 O\n0.255611 0.488779 0.244483 O\n0.418205 0.163590 0.584705 O\n0.948236 0.103527 0.684221 O\n0.181807 0.194309 0.176102 O\n0.623884 0.194309 0.176102 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.6832717768360763,
"density_atomic": 0.07655897269204726,
"volume": 208.98922017094984,
"volume_molar": 7.86601563245057,
"formula_full": "Li2 V2 P2 O10",
"formula_reduced": "LiVPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 12
},
{
"id": "jvasp-97657",
"created_at": "2022-09-04T14:35:44.953120Z",
"updated_at": "2022-09-04T14:35:44.953137Z",
"structure_string": "Rb4 V4 P4 O20\n1.0\n7.586146 0.000000 0.000000\n0.000000 7.840840 0.000000\n0.000000 0.000000 8.403173\nRb V P O\n4 4 4 20\ndirect\n0.370984 0.708487 0.480978 Rb\n0.129016 0.208487 0.519022 Rb\n0.870985 0.291513 0.019022 Rb\n0.629016 0.791513 0.980978 Rb\n0.137002 0.792129 0.872255 V\n0.637002 0.207871 0.627745 V\n0.862999 0.707871 0.372255 V\n0.362999 0.292129 0.127745 V\n0.624976 0.068045 0.343636 P\n0.375024 0.431955 0.843636 P\n0.875025 0.568045 0.656364 P\n0.124976 0.931955 0.156364 P\n0.821208 0.570126 0.233181 O\n0.678793 0.070126 0.766819 O\n0.321208 0.429874 0.266819 O\n0.062599 0.856231 0.316744 O\n0.312798 0.614755 0.811547 O\n0.187202 0.114755 0.188452 O\n0.521116 0.420893 0.974257 O\n0.271778 0.821172 0.075468 O\n0.021115 0.579107 0.525743 O\n0.478885 0.079107 0.474257 O\n0.687202 0.885245 0.311548 O\n0.437402 0.356231 0.683256 O\n0.937402 0.643769 0.816743 O\n0.562599 0.143769 0.183256 O\n0.728223 0.678828 0.575468 O\n0.178793 0.929874 0.733181 O\n0.228223 0.321172 0.924531 O\n0.771778 0.178828 0.424532 O\n0.978885 0.920893 0.025743 O\n0.812798 0.385245 0.688452 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "O-P-Rb-V",
"density": 3.287355634569377,
"density_atomic": 0.06402106364221802,
"volume": 499.8354944371454,
"volume_molar": 9.406499076077145,
"formula_full": "Rb4 V4 P4 O20",
"formula_reduced": "RbVPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 19
}
]
}