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=spacegroup&page=597",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=595",
"results": [
{
"id": "jvasp-9150",
"created_at": "2022-09-04T14:37:07.101593Z",
"updated_at": "2022-09-04T14:37:07.101612Z",
"structure_string": "Mg2 P8\n1.0\n0.000000 5.177277 0.016382\n5.123506 0.000000 0.000000\n0.000000 -1.152457 -7.514633\nMg P\n2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.249894 0.294698 0.253453 P\n0.750107 0.794698 0.246547 P\n0.750106 0.705303 0.746547 P\n0.249893 0.205303 0.753453 P\n0.395410 0.888365 0.598242 P\n0.604589 0.388365 0.901757 P\n0.604590 0.111636 0.401758 P\n0.395411 0.611636 0.098242 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.470368904443199,
"density_atomic": 0.0501919853522081,
"volume": 199.23499598248247,
"volume_molar": 11.998211901245439,
"formula_full": "Mg2 P8",
"formula_reduced": "MgP4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.27876021,
"spacegroup": 14
},
{
"id": "jvasp-10192",
"created_at": "2022-09-04T14:37:06.753855Z",
"updated_at": "2022-09-04T14:37:06.753874Z",
"structure_string": "Li8 As8\n1.0\n0.000000 5.804052 0.011798\n5.229165 0.000000 0.000000\n0.000000 -5.053888 -9.555579\nLi As\n8 8\ndirect\n0.227241 0.169011 0.556103 Li\n0.772758 0.669011 0.943897 Li\n0.772758 0.830990 0.443897 Li\n0.227242 0.330990 0.056103 Li\n0.238622 0.919960 0.833362 Li\n0.761377 0.419959 0.666638 Li\n0.761377 0.080041 0.166638 Li\n0.238622 0.580042 0.333362 Li\n0.285305 0.668587 0.598228 As\n0.714694 0.168586 0.901772 As\n0.714694 0.331414 0.401772 As\n0.285305 0.831415 0.098228 As\n0.298581 0.429189 0.802302 As\n0.701418 0.929190 0.697698 As\n0.701418 0.570812 0.197698 As\n0.298581 0.070811 0.302302 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Li",
"As"
],
"chemical_system": "As-Li",
"density": 3.7537999864727105,
"density_atomic": 0.055228912620016654,
"volume": 289.70333184146574,
"volume_molar": 10.903964018689354,
"formula_full": "Li8 As8",
"formula_reduced": "LiAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.739565875,
"spacegroup": 14
},
{
"id": "jvasp-10686",
"created_at": "2022-09-04T14:37:06.819305Z",
"updated_at": "2022-09-04T14:37:06.819330Z",
"structure_string": "Nd4 Cu4 S8\n1.0\n0.000000 6.498737 0.009086\n7.218368 0.000000 0.000000\n0.000000 -0.912183 -6.838782\nNd Cu S\n4 4 8\ndirect\n0.809360 0.950051 0.199456 Nd\n0.190641 0.450051 0.300543 Nd\n0.190641 0.049949 0.800543 Nd\n0.809360 0.549949 0.699456 Nd\n0.426105 0.663260 0.950927 Cu\n0.573896 0.336740 0.049072 Cu\n0.573896 0.163260 0.549072 Cu\n0.426105 0.836740 0.450927 Cu\n0.084161 0.725838 0.999774 S\n0.915840 0.225838 0.500225 S\n0.915839 0.274162 0.000226 S\n0.084161 0.774163 0.499774 S\n0.407426 0.113341 0.220346 S\n0.407426 0.386659 0.720346 S\n0.592575 0.886659 0.779653 S\n0.592575 0.613342 0.279653 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"S"
],
"chemical_system": "Cu-Nd-S",
"density": 5.630945226855266,
"density_atomic": 0.04988319240313805,
"volume": 320.74931914328465,
"volume_molar": 12.072484678468891,
"formula_full": "Nd4 Cu4 S8",
"formula_reduced": "NdCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8732054874999999,
"spacegroup": 14
},
{
"id": "jvasp-14315",
"created_at": "2022-09-04T14:37:07.015628Z",
"updated_at": "2022-09-04T14:37:07.015643Z",
"structure_string": "Yb8 S8 O4\n1.0\n0.000000 7.632895 0.039835\n6.527318 0.000000 0.000000\n0.000000 -1.439889 -7.844788\nYb S O\n8 8 4\ndirect\n0.774621 0.030861 0.842259 Yb\n0.725378 0.530861 0.157743 Yb\n0.225379 0.969139 0.157742 Yb\n0.274621 0.469139 0.842258 Yb\n0.640663 0.146422 0.414064 Yb\n0.859336 0.646422 0.585938 Yb\n0.359336 0.853578 0.585937 Yb\n0.140663 0.353578 0.414063 Yb\n0.461440 0.560945 0.371444 S\n0.038559 0.060945 0.628557 S\n0.538559 0.439055 0.628557 S\n0.961440 0.939055 0.371444 S\n0.003161 0.337926 0.027747 S\n0.503161 0.162074 0.027747 S\n0.496839 0.837926 0.972254 S\n0.996839 0.662075 0.972254 S\n0.846476 0.413788 0.383978 O\n0.153523 0.586212 0.616023 O\n0.346476 0.086212 0.383977 O\n0.653523 0.913788 0.616024 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"S",
"O"
],
"chemical_system": "O-S-Yb",
"density": 7.250084271673254,
"density_atomic": 0.05122016081879791,
"volume": 390.4712457025312,
"volume_molar": 11.757364021765941,
"formula_full": "Yb8 S8 O4",
"formula_reduced": "Yb2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5545049799999999,
"spacegroup": 14
},
{
"id": "jvasp-50788",
"created_at": "2022-09-04T14:37:06.872970Z",
"updated_at": "2022-09-04T14:37:06.872983Z",
"structure_string": "Ti4 O4 F4\n1.0\n0.000000 5.152820 -0.023470\n4.715846 0.000000 0.000000\n0.000000 -0.184049 -5.706878\nTi O F\n4 4 4\ndirect\n0.216146 0.514479 0.641813 Ti\n0.216146 0.985522 0.141813 Ti\n0.783854 0.014479 0.858187 Ti\n0.783854 0.485522 0.358187 Ti\n0.090445 0.763716 0.873008 O\n0.090445 0.736285 0.373008 O\n0.909555 0.263716 0.626993 O\n0.909555 0.236284 0.126993 O\n0.417068 0.231619 0.877277 F\n0.417068 0.268381 0.377276 F\n0.582932 0.731620 0.622724 F\n0.582932 0.768382 0.122724 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.9683706324411747,
"density_atomic": 0.08651955578892745,
"volume": 138.69696729922103,
"volume_molar": 6.960438833841883,
"formula_full": "Ti4 O4 F4",
"formula_reduced": "TiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7184407052777779,
"spacegroup": 14
},
{
"id": "jvasp-21326",
"created_at": "2022-09-04T14:37:06.913699Z",
"updated_at": "2022-09-04T14:37:06.913709Z",
"structure_string": "Zn4 Cu2 W2 O12\n1.0\n0.000000 5.001263 0.007954\n5.107185 0.000000 0.000000\n0.000000 -4.888541 -8.571515\nZn Cu W O\n4 2 2 12\ndirect\n0.255090 0.973341 0.263319 Zn\n0.744911 0.473341 0.236682 Zn\n0.744911 0.026660 0.736682 Zn\n0.255090 0.526660 0.763319 Zn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.661669 0.116522 0.300939 O\n0.338331 0.616523 0.199062 O\n0.725817 0.691907 0.045447 O\n0.274184 0.191907 0.454554 O\n0.274184 0.308094 0.954554 O\n0.918522 0.198962 0.103207 O\n0.081479 0.801039 0.896794 O\n0.918522 0.301039 0.603207 O\n0.338332 0.883479 0.699062 O\n0.081478 0.698962 0.396794 O\n0.725817 0.808094 0.545447 O\n0.661669 0.383478 0.800939 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-W-Zn",
"density": 7.199730476229512,
"density_atomic": 0.09143347491250424,
"volume": 218.73826866077957,
"volume_molar": 6.586363217369556,
"formula_full": "Zn4 Cu2 W2 O12",
"formula_reduced": "Zn2CuWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.091519225,
"spacegroup": 14
},
{
"id": "jvasp-51402",
"created_at": "2022-09-04T14:37:06.965508Z",
"updated_at": "2022-09-04T14:37:06.965536Z",
"structure_string": "K4 H4 C4 O12\n1.0\n0.000000 3.660739 0.077323\n5.632560 0.000000 0.000000\n0.000000 -3.711353 -14.593697\nK H C O\n4 4 4 12\ndirect\n0.965145 0.531587 0.334699 K\n0.034856 0.031587 0.165301 K\n0.034857 0.468413 0.665301 K\n0.965145 0.968413 0.834699 K\n0.517647 0.194619 0.487309 H\n0.482354 0.694619 0.012692 H\n0.482355 0.805381 0.512692 H\n0.517648 0.305381 0.987309 H\n0.376086 0.976648 0.618128 C\n0.623916 0.476648 0.881873 C\n0.623916 0.023352 0.381873 C\n0.376085 0.523352 0.118127 C\n0.421240 0.771267 0.574725 O\n0.717787 0.043020 0.307475 O\n0.282214 0.543020 0.192526 O\n0.282215 0.956979 0.692526 O\n0.717787 0.456979 0.807475 O\n0.568655 0.826574 0.418752 O\n0.431346 0.326574 0.081248 O\n0.431347 0.173426 0.581248 O\n0.568656 0.673426 0.918752 O\n0.578762 0.228733 0.425275 O\n0.421239 0.728733 0.074725 O\n0.578762 0.271267 0.925275 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 2.221816009020604,
"density_atomic": 0.0801882038247205,
"volume": 299.29589210478434,
"volume_molar": 7.510008296436601,
"formula_full": "K4 H4 C4 O12",
"formula_reduced": "KHCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.489353083333333,
"spacegroup": 14
},
{
"id": "jvasp-48628",
"created_at": "2022-09-04T14:37:07.142254Z",
"updated_at": "2022-09-04T14:37:07.142289Z",
"structure_string": "Li4 Mn4 F16\n1.0\n0.000000 4.518089 -0.011651\n9.720108 0.000000 0.000000\n0.000000 -4.250058 -6.299698\nLi Mn F\n4 4 16\ndirect\n0.692720 0.721119 0.725750 Li\n0.307280 0.221119 0.774251 Li\n0.692720 0.778881 0.225750 Li\n0.307280 0.278881 0.274250 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.484040 0.088814 0.274044 F\n0.515960 0.588814 0.225956 F\n0.014879 0.421403 0.275782 F\n0.985121 0.921403 0.224218 F\n0.774422 0.345186 0.505775 F\n0.707722 0.844905 0.475912 F\n0.292278 0.155095 0.524088 F\n0.484040 0.411186 0.774044 F\n0.014879 0.078597 0.775783 F\n0.985121 0.578597 0.724218 F\n0.707722 0.655095 0.975912 F\n0.515960 0.911186 0.725957 F\n0.292278 0.344905 0.024088 F\n0.774422 0.154814 0.005775 F\n0.225578 0.654814 0.494225 F\n0.225578 0.845187 -0.005775 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.3043552529928215,
"density_atomic": 0.08659857340377586,
"volume": 277.1408241114692,
"volume_molar": 6.954087721423623,
"formula_full": "Li4 Mn4 F16",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3501530618965517,
"spacegroup": 14
},
{
"id": "jvasp-14163",
"created_at": "2022-09-04T14:37:07.232381Z",
"updated_at": "2022-09-04T14:37:07.232404Z",
"structure_string": "As8 S12\n1.0\n0.000000 4.565508 0.000281\n10.888128 0.000000 0.000000\n0.000000 -4.506033 -11.363489\nAs S\n8 12\ndirect\n0.134801 0.819065 0.980557 As\n0.865201 0.319065 0.519443 As\n0.865200 0.180935 0.019443 As\n0.134801 0.680935 0.480557 As\n0.423048 0.688684 0.769453 As\n0.576954 0.188683 0.730548 As\n0.576954 0.311317 0.230548 As\n0.423047 0.811317 0.269453 As\n0.093964 0.363439 0.094202 S\n0.906037 0.863440 0.405798 S\n0.342408 0.626054 0.342165 S\n0.657593 0.126054 0.157835 S\n0.657593 0.373946 0.657835 S\n0.441810 0.275124 0.877522 S\n0.558191 0.724876 0.122478 S\n0.441810 0.224876 0.377522 S\n0.093965 0.136561 0.594202 S\n0.558191 0.775124 0.622478 S\n0.342408 0.873946 0.842165 S\n0.906037 0.636561 0.905798 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 2.893131725624575,
"density_atomic": 0.03540679149610478,
"volume": 564.8633822751284,
"volume_molar": 17.00843399115256,
"formula_full": "As8 S12",
"formula_reduced": "As2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.1706307,
"spacegroup": 14
},
{
"id": "jvasp-56587",
"created_at": "2022-09-04T14:37:07.272951Z",
"updated_at": "2022-09-04T14:37:07.272965Z",
"structure_string": "Nd4 Se8\n1.0\n0.000000 8.415276 -0.008081\n4.191444 0.000000 0.000000\n0.000000 -0.021908 -8.532212\nNd Se\n4 8\ndirect\n0.626301 0.275029 0.274759 Nd\n0.373700 0.724970 0.725240 Nd\n0.126300 0.224970 0.274759 Nd\n0.873700 0.775029 0.725240 Nd\n0.380714 0.189594 0.998344 Se\n0.874869 0.755495 0.368017 Se\n0.125131 0.244504 0.631982 Se\n0.625131 0.255496 0.631982 Se\n0.119286 0.689593 0.001655 Se\n0.374869 0.744503 0.368017 Se\n0.619286 0.810406 0.001655 Se\n0.880714 0.310406 0.998344 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nd",
"Se"
],
"chemical_system": "Nd-Se",
"density": 6.668899829039408,
"density_atomic": 0.039873697055249235,
"volume": 300.95027264145403,
"volume_molar": 15.103040863393444,
"formula_full": "Nd4 Se8",
"formula_reduced": "NdSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7352294111111111,
"spacegroup": 14
},
{
"id": "jvasp-4364",
"created_at": "2022-09-04T14:37:07.333056Z",
"updated_at": "2022-09-04T14:37:07.333083Z",
"structure_string": "As8 O12\n1.0\n0.000000 4.545976 -0.014216\n12.898827 0.000000 0.000000\n0.000000 -4.103400 -5.372803\nAs O\n8 12\ndirect\n0.639569 0.851797 0.139525 As\n0.360433 0.351797 0.360475 As\n0.360432 0.148203 0.860475 As\n0.639569 0.648204 0.639525 As\n0.773425 0.596584 0.232434 As\n0.226577 0.096584 0.267567 As\n0.226577 0.403416 0.767566 As\n0.773424 0.903416 0.732434 As\n0.375115 0.284081 0.944985 O\n0.624886 0.784081 0.555015 O\n0.479714 0.597698 0.332720 O\n0.520287 0.097698 0.167281 O\n0.520287 0.402302 0.667280 O\n0.832763 0.138881 0.957254 O\n0.167238 0.861119 0.042746 O\n0.832763 0.361119 0.457255 O\n0.375115 0.215919 0.444985 O\n0.167238 0.638881 0.542746 O\n0.479714 0.902302 0.832720 O\n0.624886 0.715920 0.055015 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"As",
"O"
],
"chemical_system": "As-O",
"density": 4.161136789527983,
"density_atomic": 0.06333090919497093,
"volume": 315.8015612633615,
"volume_molar": 9.509007270778634,
"formula_full": "As8 O12",
"formula_reduced": "As2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.2737008,
"spacegroup": 14
},
{
"id": "jvasp-29911",
"created_at": "2022-09-04T14:37:07.397019Z",
"updated_at": "2022-09-04T14:37:07.397049Z",
"structure_string": "Cu4 H4 Cl4 O4\n1.0\n5.406142 0.000000 -2.906539\n0.000000 6.737126 0.000000\n0.086899 0.000000 5.620414\nCu H Cl O\n4 4 4 4\ndirect\n0.030498 0.381824 0.777610 Cu\n0.969502 0.881824 0.722389 Cu\n0.969502 0.618177 0.222389 Cu\n0.030498 0.118177 0.277610 Cu\n0.702587 0.339719 0.941107 H\n0.297413 0.839720 0.558892 H\n0.297413 0.660281 0.058892 H\n0.702587 0.160281 0.441107 H\n0.322473 0.414630 0.636473 Cl\n0.677527 0.914630 0.863526 Cl\n0.677527 0.585371 0.363526 Cl\n0.322473 0.085371 0.136473 Cl\n0.884483 0.354320 0.038535 O\n0.115517 0.854320 0.461465 O\n0.115517 0.645680 0.961464 O\n0.884483 0.145680 0.538534 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 3.7330620448650533,
"density_atomic": 0.07751653955382007,
"volume": 206.40756272267714,
"volume_molar": 7.768846229028067,
"formula_full": "Cu4 H4 Cl4 O4",
"formula_reduced": "CuHClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.978369504375,
"spacegroup": 14
}
]
}