HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1514",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1512",
"results": [
{
"id": "jvasp-20825",
"created_at": "2022-09-04T14:38:29.246056Z",
"updated_at": "2022-09-04T14:38:29.246092Z",
"structure_string": "Hf6 Sn6 Rh6\n1.0\n3.683195 -6.379481 -0.000000\n3.683195 6.379481 0.000000\n0.000000 -0.000000 7.232182\nHf Sn Rh\n6 6 6\ndirect\n0.594244 0.612468 0.750000 Hf\n0.387534 0.981778 0.750000 Hf\n0.018224 0.405757 0.750000 Hf\n0.612468 0.594244 0.250000 Hf\n0.405757 0.018224 0.250000 Hf\n0.981778 0.387534 0.250000 Hf\n0.728549 0.000001 0.000000 Sn\n0.000001 0.728549 0.000000 Sn\n0.000001 0.728549 0.500000 Sn\n0.271451 0.271451 0.000000 Sn\n0.271451 0.271451 0.500000 Sn\n0.728549 0.000001 0.500000 Sn\n0.333334 0.666668 0.463290 Rh\n0.666668 0.333334 0.536709 Rh\n0.333334 0.666668 0.036709 Rh\n0.000000 0.000000 0.750000 Rh\n0.000000 0.000000 0.250000 Rh\n0.666668 0.333334 0.963290 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Sn",
"Rh"
],
"chemical_system": "Hf-Rh-Sn",
"density": 11.729120987740131,
"density_atomic": 0.052961844516247136,
"volume": 339.86731701684084,
"volume_molar": 11.370715682216439,
"formula_full": "Hf6 Sn6 Rh6",
"formula_reduced": "HfSnRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3673192333333333,
"spacegroup": 190
},
{
"id": "jvasp-97443",
"created_at": "2022-09-04T14:36:00.119400Z",
"updated_at": "2022-09-04T14:36:00.119429Z",
"structure_string": "K6 Al6 B6 O21\n1.0\n8.601791 -0.000000 0.000000\n-4.300895 7.449369 -0.000000\n0.000000 -0.000000 8.403165\nK Al B O\n6 6 6 21\ndirect\n0.353923 0.000000 0.500000 K\n-0.000000 0.315251 0.000000 K\n0.315251 0.000000 0.000000 K\n0.646076 0.646077 0.500000 K\n0.684748 0.684749 0.000000 K\n-0.000000 0.353923 0.500000 K\n0.000000 0.000000 0.704846 Al\n0.666667 0.333333 0.225009 Al\n0.333333 0.666667 0.774990 Al\n0.000000 0.000000 0.295154 Al\n0.333333 0.666667 0.186564 Al\n0.666667 0.333333 0.813435 Al\n0.664822 0.998898 0.742084 B\n0.665925 0.001102 0.257916 B\n0.998898 0.664823 0.257916 B\n0.334075 0.335177 0.742084 B\n0.335177 0.334075 0.257916 B\n0.001101 0.665925 0.742084 B\n0.483119 0.884845 0.256475 O\n0.000000 0.000000 0.500000 O\n0.666667 0.333333 0.019228 O\n0.550710 0.820530 0.704225 O\n0.783866 0.940981 0.222482 O\n0.059019 0.842886 0.222482 O\n0.516880 0.401725 0.743525 O\n0.940980 0.783867 0.777517 O\n0.179469 0.730181 0.704225 O\n0.269819 0.449289 0.704225 O\n0.115155 0.598275 0.256475 O\n0.333333 0.666667 0.980771 O\n0.401725 0.516881 0.256475 O\n0.884844 0.483119 0.743525 O\n0.216133 0.157114 0.777517 O\n0.449289 0.269819 0.295775 O\n0.157114 0.216133 0.222482 O\n0.842886 0.059019 0.777517 O\n0.730180 0.179470 0.295775 O\n0.820530 0.550711 0.295775 O\n0.598275 0.115155 0.743525 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"K",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-K-O",
"density": 2.4588795906176077,
"density_atomic": 0.07242914229611001,
"volume": 538.4572944486545,
"volume_molar": 8.31452723184247,
"formula_full": "K6 Al6 B6 O21",
"formula_reduced": "K2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.3673085589743588,
"spacegroup": 150
},
{
"id": "jvasp-119730",
"created_at": "2022-09-04T14:38:50.474133Z",
"updated_at": "2022-09-04T14:38:50.474157Z",
"structure_string": "Li4 V1 Te3 O12\n1.0\n8.804499 -0.000000 0.000000\n0.000000 4.945177 0.293830\n0.000000 0.034522 5.173005\nLi V Te O\n4 1 3 12\ndirect\n0.305877 0.000000 -0.000000 Li\n0.133172 0.500000 -0.000000 Li\n0.702222 -0.000000 0.500000 Li\n0.824229 0.500000 0.500000 Li\n0.895659 0.000000 -0.000000 V\n0.602501 0.500000 -0.000000 Te\n0.076014 -0.000000 0.500000 Te\n0.397875 0.500000 0.500000 Te\n0.055440 0.789001 0.191424 O\n0.581090 0.292010 0.334491 O\n0.905584 0.198940 0.312345 O\n0.225047 0.219947 0.308321 O\n0.225047 0.780053 0.691678 O\n0.441722 0.278192 0.853942 O\n0.581090 0.707990 0.665508 O\n0.055440 0.210999 0.808575 O\n0.441722 0.721808 0.146057 O\n0.751806 0.259640 0.850916 O\n0.905584 0.801060 0.687654 O\n0.751806 0.740360 0.149083 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.819882086372904,
"density_atomic": 0.08883269744013375,
"volume": 225.14232457568258,
"volume_molar": 6.779193848141839,
"formula_full": "Li4 V1 Te3 O12",
"formula_reduced": "Li4V(TeO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.367264475,
"spacegroup": 3
},
{
"id": "jvasp-49730",
"created_at": "2022-09-04T14:37:19.604329Z",
"updated_at": "2022-09-04T14:37:19.604357Z",
"structure_string": "Ca4 Co2 Si4 O14\n1.0\n7.850633 -0.000000 -0.000000\n0.000000 7.850633 -0.000000\n0.000000 0.000000 5.032264\nCa Co Si O\n4 2 4 14\ndirect\n0.167905 0.332095 0.497746 Ca\n0.832095 0.667905 0.497746 Ca\n0.667905 0.167905 0.502253 Ca\n0.332095 0.832095 0.502253 Ca\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.858510 0.358510 0.933938 Si\n0.641489 0.858510 0.066061 Si\n0.358510 0.141490 0.066061 Si\n0.141490 0.641489 0.933938 Si\n0.000000 0.500000 0.816136 O\n0.500000 0.000000 0.183863 O\n0.642030 0.857969 0.745489 O\n0.857969 0.357969 0.254510 O\n0.082407 0.815420 0.776360 O\n0.184579 0.082407 0.223639 O\n0.315421 0.582407 0.776360 O\n0.917593 0.184579 0.776360 O\n0.582407 0.684579 0.223639 O\n0.417593 0.315421 0.223639 O\n0.357969 0.142031 0.745489 O\n0.684579 0.417593 0.776360 O\n0.815420 0.917593 0.223639 O\n0.142031 0.642030 0.254510 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.2900817614034565,
"density_atomic": 0.07738173695557315,
"volume": 310.1507014992312,
"volume_molar": 7.782379921837973,
"formula_full": "Ca4 Co2 Si4 O14",
"formula_reduced": "Ca2CoSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.3672586200000003,
"spacegroup": 113
},
{
"id": "jvasp-55301",
"created_at": "2022-09-04T14:38:10.308627Z",
"updated_at": "2022-09-04T14:38:10.308663Z",
"structure_string": "Ca4 Co2 Si4 O14\n1.0\n7.850408 0.000000 0.000000\n0.000000 7.850408 0.000000\n0.000000 -0.000000 5.032450\nCa Co Si O\n4 2 4 14\ndirect\n0.167898 0.332102 0.497741 Ca\n0.832102 0.667899 0.497741 Ca\n0.667899 0.167898 0.502259 Ca\n0.332102 0.832102 0.502259 Ca\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.858509 0.358509 0.933953 Si\n0.641491 0.858509 0.066047 Si\n0.358509 0.141491 0.066047 Si\n0.141491 0.641491 0.933953 Si\n0.000000 0.500000 0.816145 O\n0.500000 0.000000 0.183855 O\n0.642024 0.857976 0.745491 O\n0.857976 0.357976 0.254509 O\n0.082409 0.815420 0.776362 O\n0.184580 0.082409 0.223638 O\n0.315420 0.582409 0.776362 O\n0.917591 0.184580 0.776362 O\n0.582409 0.684580 0.223638 O\n0.417591 0.315420 0.223638 O\n0.357976 0.142024 0.745491 O\n0.684580 0.417591 0.776362 O\n0.815420 0.917591 0.223638 O\n0.142024 0.642024 0.254509 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.2901487489010117,
"density_atomic": 0.07738331248143879,
"volume": 310.1443868244417,
"volume_molar": 7.782221472419489,
"formula_full": "Ca4 Co2 Si4 O14",
"formula_reduced": "Ca2CoSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.3672586200000003,
"spacegroup": 113
},
{
"id": "jvasp-118489",
"created_at": "2022-09-04T14:38:52.981303Z",
"updated_at": "2022-09-04T14:38:52.981318Z",
"structure_string": "Sc1 H2 O2\n1.0\n3.768717 0.000000 -0.000000\n-1.884359 3.263805 -0.000000\n0.000000 0.000000 3.784114\nSc H O\n1 2 2\ndirect\n0.000000 0.000000 0.938442 Sc\n0.666668 0.333333 0.079448 H\n0.333334 0.666666 0.424276 H\n0.666668 0.333333 0.813455 O\n0.333334 0.666666 0.166852 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 2.8172964602856005,
"density_atomic": 0.10742072094605028,
"volume": 46.5459545976343,
"volume_molar": 5.606125807910458,
"formula_full": "Sc1 H2 O2",
"formula_reduced": "Sc(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.36719245,
"spacegroup": 156
},
{
"id": "jvasp-59846",
"created_at": "2022-09-04T14:38:18.119327Z",
"updated_at": "2022-09-04T14:38:18.119351Z",
"structure_string": "Ca4 Ni4 P8 O28\n1.0\n0.000000 7.278300 -0.027866\n8.669420 0.000000 0.000000\n0.000000 -4.080511 -8.050480\nCa Ni P O\n4 4 8 28\ndirect\n0.266112 0.952979 0.104860 Ca\n0.733889 0.452979 0.395140 Ca\n0.266112 0.547021 0.604860 Ca\n0.733889 0.047021 0.895141 Ca\n0.771521 0.070778 0.381683 Ni\n0.228479 0.929222 0.618317 Ni\n0.228479 0.570778 0.118317 Ni\n0.771521 0.429222 0.881683 Ni\n0.041686 0.272424 0.233998 P\n0.524898 0.753476 0.463919 P\n0.041686 0.227576 0.733998 P\n0.524898 0.746524 0.963919 P\n0.958315 0.772424 0.266002 P\n0.475102 0.253476 0.036082 P\n0.958315 0.727576 0.766002 P\n0.475102 0.246524 0.536082 P\n0.053703 0.124689 0.147775 O\n0.885386 0.236017 0.803856 O\n0.458370 0.894441 0.857569 O\n0.609442 0.276532 0.947982 O\n0.390559 0.723468 0.052019 O\n0.541630 0.394441 0.642431 O\n0.458370 0.605559 0.357569 O\n0.053704 0.375311 0.647775 O\n0.114615 0.736017 0.696145 O\n0.443219 0.104716 0.620856 O\n0.986546 0.582461 0.873870 O\n0.556781 0.895284 0.379145 O\n0.254383 0.307817 0.396307 O\n0.013455 0.082461 0.626131 O\n0.114615 0.763983 0.196145 O\n0.013455 0.417539 0.126131 O\n0.986546 0.917539 0.373870 O\n0.609442 0.223468 0.447982 O\n0.541630 0.105559 0.142431 O\n0.556781 0.604716 0.879145 O\n0.390559 0.776532 0.552019 O\n0.745617 0.807817 0.103694 O\n0.443219 0.395284 0.120856 O\n0.946297 0.875311 0.852226 O\n0.946297 0.624689 0.352226 O\n0.254383 0.192183 0.896307 O\n0.885386 0.263983 0.303856 O\n0.745617 0.692183 0.603694 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"P",
"O"
],
"chemical_system": "Ca-Ni-O-P",
"density": 3.559048660612906,
"density_atomic": 0.08645078222706422,
"volume": 508.9601142582304,
"volume_molar": 6.965976021110787,
"formula_full": "Ca4 Ni4 P8 O28",
"formula_reduced": "CaNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.36711712,
"spacegroup": 14
},
{
"id": "jvasp-71813",
"created_at": "2022-09-04T14:36:21.703045Z",
"updated_at": "2022-09-04T14:36:21.703072Z",
"structure_string": "Li1 Be1 Fe2\n1.0\n-1.890488 1.890488 2.673567\n1.890488 -1.890488 2.673567\n1.890488 1.890488 -2.673567\nLi Be Fe\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Li\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750001 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Li",
"density": 5.545590616962153,
"density_atomic": 0.10465526409149653,
"volume": 38.220724344099274,
"volume_molar": 5.754264548733113,
"formula_full": "Li1 Be1 Fe2",
"formula_reduced": "LiBeFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.367081775,
"spacegroup": 216
},
{
"id": "jvasp-9796",
"created_at": "2022-09-04T14:37:16.660188Z",
"updated_at": "2022-09-04T14:37:16.660200Z",
"structure_string": "Ba3 Mg1 Nb2 O9\n1.0\n2.921376 -5.059971 0.000000\n2.921376 5.059971 -0.000000\n0.000000 -0.000000 7.170139\nBa Mg Nb O\n3 1 2 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.333070 Ba\n0.333334 0.666668 0.666930 Ba\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333334 0.820702 Nb\n0.333334 0.666668 0.179298 Nb\n0.658885 0.829443 0.327134 O\n0.170559 0.341117 0.327134 O\n0.170559 0.829442 0.327134 O\n0.829442 0.170559 0.672866 O\n0.829443 0.658885 0.672866 O\n0.341117 0.170559 0.672866 O\n0.500000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Nb",
"O"
],
"chemical_system": "Ba-Mg-Nb-O",
"density": 6.001195019076952,
"density_atomic": 0.07076169113170787,
"volume": 211.97910564461617,
"volume_molar": 8.51045341580526,
"formula_full": "Ba3 Mg1 Nb2 O9",
"formula_reduced": "Ba3MgNb2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.367063817333333,
"spacegroup": 164
},
{
"id": "jvasp-68547",
"created_at": "2022-09-04T14:35:59.483791Z",
"updated_at": "2022-09-04T14:35:59.483825Z",
"structure_string": "Be2 In1 Mo1\n1.0\n3.189076 0.000000 0.000000\n-0.000000 3.189076 0.000000\n-0.000000 0.000000 5.688700\nBe In Mo\n2 1 1\ndirect\n0.000000 0.000000 0.679912 Be\n0.000000 0.000000 0.320088 Be\n0.500001 0.500001 0.000000 In\n0.500001 0.500001 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Mo"
],
"chemical_system": "Be-In-Mo",
"density": 6.5664232267340985,
"density_atomic": 0.0691380651609871,
"volume": 57.85524935773154,
"volume_molar": 8.710311383428973,
"formula_full": "Be2 In1 Mo1",
"formula_reduced": "Be2InMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3670145175,
"spacegroup": 123
},
{
"id": "jvasp-30187",
"created_at": "2022-09-04T14:38:04.239800Z",
"updated_at": "2022-09-04T14:38:04.239822Z",
"structure_string": "Tm4 H12 O12\n1.0\n5.805954 0.000000 0.480603\n0.000000 10.316920 0.000000\n0.415809 0.000000 4.935470\nTm H O\n4 12 12\ndirect\n0.098923 0.341108 0.943606 Tm\n0.401077 0.841108 0.056393 Tm\n0.598923 0.158892 0.943606 Tm\n0.901076 0.658892 0.056393 Tm\n0.872056 0.195948 0.365858 H\n0.840716 0.927726 0.800479 H\n0.695560 0.863590 0.449289 H\n0.659284 0.427726 0.199521 H\n0.627943 0.695948 0.634141 H\n0.804439 0.363590 0.550710 H\n0.340716 0.572274 0.800479 H\n0.304439 0.136410 0.550710 H\n0.195561 0.636410 0.449290 H\n0.159284 0.072274 0.199521 H\n0.127943 0.804052 0.634141 H\n0.372057 0.304052 0.365859 H\n0.663428 0.794004 0.323149 O\n0.836571 0.294004 0.676850 O\n0.600517 0.673012 0.831598 O\n0.681983 0.960906 0.789362 O\n0.318016 0.039094 0.210637 O\n0.336571 0.205996 0.676850 O\n0.163429 0.705996 0.323150 O\n0.100518 0.826988 0.831598 O\n0.181984 0.539094 0.789362 O\n0.899482 0.173012 0.168401 O\n0.399482 0.326988 0.168402 O\n0.818016 0.460906 0.210637 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tm",
"H",
"O"
],
"chemical_system": "H-O-Tm",
"density": 4.976597770717311,
"density_atomic": 0.09537734213785687,
"volume": 293.5707723908814,
"volume_molar": 6.314016122713606,
"formula_full": "Tm4 H12 O12",
"formula_reduced": "Tm(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.366987821428572,
"spacegroup": 14
},
{
"id": "jvasp-101476",
"created_at": "2022-09-04T14:36:58.142973Z",
"updated_at": "2022-09-04T14:36:58.143005Z",
"structure_string": "Mn1 Ni3 O4\n1.0\n5.555638 -0.428286 0.000000\n-2.265474 5.090793 0.000000\n0.000000 0.000000 2.858652\nMn Ni O\n1 3 4\ndirect\n0.500000 0.499999 0.000000 Mn\n0.000000 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.211081 0.788919 0.000000 O\n0.728660 0.728659 0.500000 O\n0.271340 0.271340 0.500000 O\n0.788920 0.211080 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 6.2744312255415435,
"density_atomic": 0.10246367083695684,
"volume": 78.07645319217414,
"volume_molar": 5.877342389560299,
"formula_full": "Mn1 Ni3 O4",
"formula_reduced": "MnNi3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.366978555172414,
"spacegroup": 65
}
]
}