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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4459",
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"results": [
{
"id": "jvasp-44434",
"created_at": "2022-09-04T14:38:05.645123Z",
"updated_at": "2022-09-04T14:38:05.645145Z",
"structure_string": "Na2 V2 Si2 C2 O14\n1.0\n0.000000 5.385802 -0.202287\n6.401461 0.000000 0.000000\n0.000000 -0.174690 -8.485385\nNa V Si C O\n2 2 2 2 14\ndirect\n0.851357 0.518100 0.164283 Na\n0.148642 0.018100 0.835718 Na\n0.228023 0.234099 0.337711 V\n0.771976 0.734099 0.662289 V\n0.276453 0.738682 0.433795 Si\n0.723547 0.238682 0.566206 Si\n0.380975 0.258216 0.063095 C\n0.619024 0.758216 0.936906 C\n0.475651 0.769874 0.813742 O\n0.768518 0.454548 0.666737 O\n0.786409 0.038039 0.672142 O\n0.086450 0.749323 0.588179 O\n0.435662 0.244302 0.501805 O\n0.564338 0.744302 0.498196 O\n0.524348 0.269874 0.186259 O\n0.213590 0.538039 0.327859 O\n0.231482 0.954548 0.333264 O\n0.857366 0.739076 0.888298 O\n0.142634 0.239076 0.111703 O\n0.554117 0.757889 0.076907 O\n0.913550 0.249323 0.411822 O\n0.445882 0.257889 0.923094 O\n",
"nsites": 22,
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"elements": [
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"C",
"O"
],
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"density": 2.563867176734446,
"density_atomic": 0.07514255497247885,
"volume": 292.77684273654995,
"volume_molar": 8.014287991944943,
"formula_full": "Na2 V2 Si2 C2 O14",
"formula_reduced": "NaVSiCO7",
"formula_anonymous": "ABCDE7",
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"spacegroup": 4
},
{
"id": "jvasp-11724",
"created_at": "2022-09-04T14:38:05.981659Z",
"updated_at": "2022-09-04T14:38:05.981675Z",
"structure_string": "Na2 V2 O4 F4\n1.0\n0.000000 6.433757 -0.019312\n3.555022 0.000000 0.000000\n0.000000 -2.441455 -6.770104\nNa V O F\n2 2 4 4\ndirect\n0.630396 0.275562 0.214043 Na\n0.369604 0.775561 0.785956 Na\n0.138882 0.736394 0.216485 V\n0.861117 0.236394 0.783514 V\n0.291153 0.731750 0.446456 O\n0.708846 0.231750 0.553544 O\n0.094975 0.262195 0.140864 O\n0.905024 0.762195 0.859136 O\n0.621912 0.276510 0.887835 F\n0.378088 0.776509 0.112164 F\n0.862095 0.776689 0.247783 F\n0.137905 0.276689 0.752216 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"V",
"O",
"F"
],
"chemical_system": "F-Na-O-V",
"density": 3.083534755147935,
"density_atomic": 0.07741214524057353,
"volume": 155.0144355605652,
"volume_molar": 7.779322923147277,
"formula_full": "Na2 V2 O4 F4",
"formula_reduced": "NaV(OF)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.0548484608333335,
"spacegroup": 4
},
{
"id": "jvasp-46789",
"created_at": "2022-09-04T14:38:05.756115Z",
"updated_at": "2022-09-04T14:38:05.756133Z",
"structure_string": "Li4 Si6 Ni2 O16\n1.0\n0.000000 6.394744 0.127334\n8.114064 0.000000 0.000000\n0.000000 -1.927745 -6.431884\nLi Si Ni O\n4 6 2 16\ndirect\n0.832190 0.680617 0.244995 Li\n0.606230 0.182581 0.545872 Li\n0.393770 0.682581 0.454127 Li\n0.167810 0.180617 0.755005 Li\n0.782897 0.322730 0.933467 Si\n0.805314 0.834789 0.671570 Si\n0.576892 0.974017 0.951201 Si\n0.217104 0.822730 0.066533 Si\n0.423109 0.474017 0.048799 Si\n0.194686 0.334789 0.328430 Si\n0.004505 0.014274 0.365634 Ni\n-0.004504 0.514274 0.634366 Ni\n0.758573 0.683655 0.505944 O\n0.611177 0.166682 0.894485 O\n0.247794 0.409695 0.839178 O\n0.578624 0.863887 0.742162 O\n0.798781 0.359492 0.703493 O\n0.878095 0.012455 0.597727 O\n0.241427 0.183656 0.494056 O\n0.320322 0.974424 0.959710 O\n0.201219 0.859492 0.296507 O\n0.421376 0.363887 0.257838 O\n0.752206 0.909695 0.160822 O\n0.388823 0.666682 0.105515 O\n0.679678 0.474425 0.040290 O\n0.008397 0.265548 0.112384 O\n0.121905 0.512454 0.402273 O\n-0.008396 0.765548 0.887615 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 2.851413905537781,
"density_atomic": 0.08440300194098667,
"volume": 331.74175510460145,
"volume_molar": 7.134984090033424,
"formula_full": "Li4 Si6 Ni2 O16",
"formula_reduced": "Li2Si3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.573752585714286,
"spacegroup": 4
},
{
"id": "jvasp-12540",
"created_at": "2022-09-04T14:38:06.331126Z",
"updated_at": "2022-09-04T14:38:06.331153Z",
"structure_string": "K4 Zn2 Br8\n1.0\n0.000000 7.252918 -0.034134\n7.440578 0.000000 0.000000\n0.000000 -2.843582 -8.427289\nK Zn Br\n4 2 8\ndirect\n0.233226 0.773507 0.430980 K\n0.766775 0.273507 0.569020 K\n0.282367 0.770985 0.947504 K\n0.717634 0.270985 0.052495 K\n0.719601 0.738550 0.797877 Zn\n0.280399 0.238550 0.202123 Zn\n0.903650 0.708808 0.077327 Br\n0.096350 0.208808 0.922673 Br\n0.917207 0.716393 0.623700 Br\n0.082794 0.216393 0.376300 Br\n0.519771 0.007397 0.744998 Br\n0.480230 0.507397 0.255001 Br\n0.474830 0.499552 0.731707 Br\n0.525170 0.999552 0.268293 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Zn",
"Br"
],
"chemical_system": "Br-K-Zn",
"density": 3.3773140845592944,
"density_atomic": 0.030734884924370227,
"volume": 455.50845674060605,
"volume_molar": 19.59382888473072,
"formula_full": "K4 Zn2 Br8",
"formula_reduced": "K2ZnBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 4
},
{
"id": "jvasp-10794",
"created_at": "2022-09-04T14:38:06.345668Z",
"updated_at": "2022-09-04T14:38:06.345689Z",
"structure_string": "K2 Sm2 Ge2 Se8\n1.0\n0.000000 6.837302 -0.002813\n7.038197 0.000000 0.000000\n0.000000 -2.751662 -8.439439\nK Sm Ge Se\n2 2 2 8\ndirect\n0.750553 0.707235 0.060823 K\n0.249447 0.207235 0.939177 K\n0.269192 0.204455 0.446576 Sm\n0.730808 0.704455 0.553424 Sm\n0.718987 0.237092 0.319629 Ge\n0.281013 0.737092 0.680371 Ge\n0.538307 0.980164 0.730009 Se\n0.461693 0.480164 0.269991 Se\n0.492365 0.460346 0.714887 Se\n0.921323 0.242691 0.148483 Se\n0.078677 0.742691 0.851516 Se\n0.066903 0.803908 0.417624 Se\n0.933097 0.303908 0.582376 Se\n0.507635 0.960346 0.285113 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Sm",
"Ge",
"Se"
],
"chemical_system": "Ge-K-Se-Sm",
"density": 4.7254432930208266,
"density_atomic": 0.03446751888854312,
"volume": 406.17951194199685,
"volume_molar": 17.471929962448616,
"formula_full": "K2 Sm2 Ge2 Se8",
"formula_reduced": "KSmGeSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.9681794702380954,
"spacegroup": 4
},
{
"id": "jvasp-36725",
"created_at": "2022-09-04T14:38:06.430017Z",
"updated_at": "2022-09-04T14:38:06.430045Z",
"structure_string": "K2 Ca2 Si2 H2 O8\n1.0\n0.000000 5.581167 0.014934\n7.470569 0.000000 0.000000\n0.000000 -2.703286 -4.941661\nK Ca Si H O\n2 2 2 2 8\ndirect\n0.356836 0.765507 0.721274 K\n0.643164 0.265507 0.278727 K\n0.995009 0.513349 0.006024 Ca\n0.004991 0.013349 0.993977 Ca\n0.679058 0.755268 0.372354 Si\n0.320942 0.255268 0.627647 Si\n0.963881 0.998239 0.464548 H\n0.036119 0.498239 0.535453 H\n0.344797 0.764360 0.212898 O\n0.655203 0.264360 0.787103 O\n0.812503 0.759739 0.703952 O\n0.187497 0.259739 0.296049 O\n0.804612 0.588168 0.277045 O\n0.195388 0.088168 0.722956 O\n0.810843 0.938370 0.291403 O\n0.189157 0.438370 0.708598 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"K",
"Ca",
"Si",
"H",
"O"
],
"chemical_system": "Ca-H-K-O-Si",
"density": 2.7807795540926756,
"density_atomic": 0.07776863985042445,
"volume": 205.73845743957258,
"volume_molar": 7.743662190289846,
"formula_full": "K2 Ca2 Si2 H2 O8",
"formula_reduced": "KCaSiHO4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7134688775000002,
"spacegroup": 4
},
{
"id": "jvasp-42808",
"created_at": "2022-09-04T14:38:06.883378Z",
"updated_at": "2022-09-04T14:38:06.883392Z",
"structure_string": "Mn6 O4 F8\n1.0\n0.000000 5.690440 -0.046812\n4.671536 0.000000 0.000000\n0.000000 -0.423674 -7.896311\nMn O F\n6 4 8\ndirect\n0.571981 0.496128 0.852528 Mn\n0.226560 0.489021 0.497914 Mn\n0.900399 0.532824 0.175604 Mn\n0.773441 0.989021 0.502085 Mn\n0.428020 0.996128 0.147471 Mn\n0.099602 0.032824 0.824396 Mn\n0.614995 0.694391 0.068722 O\n0.957723 0.693825 0.395716 O\n0.042277 0.193825 0.604284 O\n0.385006 0.194390 0.931277 O\n0.110134 0.800239 0.046042 F\n0.713211 0.202682 0.271945 F\n0.889867 0.300238 0.953957 F\n0.544492 0.301076 0.602992 F\n0.214548 0.289819 0.250968 F\n0.286790 0.702682 0.728055 F\n0.455509 0.801077 0.397007 F\n0.785453 0.789819 0.749031 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.3143208542415765,
"density_atomic": 0.08571386177455366,
"volume": 210.0010386574807,
"volume_molar": 7.025865636341946,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9831910949042144,
"spacegroup": 4
},
{
"id": "jvasp-46119",
"created_at": "2022-09-04T14:38:07.404091Z",
"updated_at": "2022-09-04T14:38:07.404113Z",
"structure_string": "Na4 V2 P2 C2 O14\n1.0\n0.000000 5.206627 -0.013733\n6.411050 0.000000 0.000000\n0.000000 -0.330734 -8.968660\nNa V P C O\n4 2 2 2 14\ndirect\n0.781313 0.226639 0.915934 Na\n0.255146 0.471724 0.728419 Na\n0.744855 0.971724 0.271580 Na\n0.218688 0.726639 0.084066 Na\n0.784468 0.759281 0.662484 V\n0.215533 0.259281 0.337516 V\n0.717369 0.253524 0.574846 P\n0.282632 0.753524 0.425153 P\n0.706755 0.749186 0.933608 C\n0.293247 0.249186 0.066391 C\n0.478093 0.236369 0.168774 O\n0.228768 0.562886 0.321567 O\n0.210205 0.943088 0.323332 O\n0.878667 0.243993 0.434894 O\n0.571672 0.766068 0.469226 O\n0.428330 0.266068 0.530774 O\n0.939467 0.750790 0.880192 O\n0.789796 0.443088 0.676668 O\n0.771234 0.062886 0.678433 O\n0.521908 0.736369 0.831226 O\n0.060534 0.250790 0.119808 O\n0.332665 0.264469 0.928576 O\n0.121335 0.743993 0.565106 O\n0.667336 0.764469 0.071424 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"V",
"P",
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"O"
],
"chemical_system": "C-Na-O-P-V",
"density": 2.7941780229785795,
"density_atomic": 0.08015964982133579,
"volume": 299.4025055435311,
"volume_molar": 7.512683467832603,
"formula_full": "Na4 V2 P2 C2 O14",
"formula_reduced": "Na2VPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.754051016666666,
"spacegroup": 4
},
{
"id": "jvasp-48224",
"created_at": "2022-09-04T14:38:07.901895Z",
"updated_at": "2022-09-04T14:38:07.901926Z",
"structure_string": "Li2 Fe2 C4 O12\n1.0\n0.000000 4.534602 -0.501542\n7.935297 0.000000 0.000000\n0.000000 -1.446399 -5.625764\nLi Fe C O\n2 2 4 12\ndirect\n0.039732 0.948693 0.832467 Li\n0.960267 0.448692 0.167532 Li\n0.619758 0.985007 0.303389 Fe\n0.380240 0.485007 0.696610 Fe\n0.104866 0.759724 0.423358 C\n0.895133 0.259723 0.576641 C\n0.593608 0.737957 0.941593 C\n0.406391 0.237957 0.058406 C\n0.318954 0.736518 0.850629 O\n0.681045 0.236518 0.149370 O\n0.726259 0.877144 0.017600 O\n0.736566 0.599151 0.945590 O\n0.742195 0.392515 0.602629 O\n0.215800 0.608712 0.409997 O\n0.835815 0.776680 0.462376 O\n0.164184 0.276680 0.537624 O\n0.273741 0.377144 -0.017600 O\n0.257804 0.892515 0.397370 O\n0.784199 0.108712 0.590002 O\n0.263433 0.099151 0.054410 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 2.916103933695558,
"density_atomic": 0.09606577306146331,
"volume": 208.19069438189928,
"volume_molar": 6.268768332449693,
"formula_full": "Li2 Fe2 C4 O12",
"formula_reduced": "LiFe(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.52489065,
"spacegroup": 4
},
{
"id": "jvasp-13789",
"created_at": "2022-09-04T14:38:07.966268Z",
"updated_at": "2022-09-04T14:38:07.966300Z",
"structure_string": "Al2 I2 Cl12\n1.0\n0.000000 6.078548 -0.047490\n10.873169 0.000000 0.000000\n0.000000 -0.997802 -6.925036\nAl I Cl\n2 2 12\ndirect\n0.412328 0.089402 0.477007 Al\n0.587672 0.589402 0.522994 Al\n0.016073 0.748097 0.191970 I\n0.983928 0.248097 0.808031 I\n0.695775 0.776344 0.453626 Cl\n0.304225 0.276344 0.546374 Cl\n0.695808 0.201404 -0.005968 Cl\n0.304192 0.701404 0.005968 Cl\n0.195044 0.377291 0.035691 Cl\n0.804957 0.877291 0.964309 Cl\n0.301486 0.049347 0.181832 Cl\n0.698514 0.549347 0.818168 Cl\n0.777741 0.098067 0.499304 Cl\n0.222260 0.598067 0.500696 Cl\n0.691181 0.461050 0.324316 Cl\n0.308820 0.961050 0.675685 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"I",
"Cl"
],
"chemical_system": "Al-Cl-I",
"density": 2.657110807026704,
"density_atomic": 0.034918320422013586,
"volume": 458.2121879468494,
"volume_molar": 17.24636433602189,
"formula_full": "Al2 I2 Cl12",
"formula_reduced": "AlICl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.174465435,
"spacegroup": 4
},
{
"id": "jvasp-55719",
"created_at": "2022-09-04T14:38:08.188679Z",
"updated_at": "2022-09-04T14:38:08.188707Z",
"structure_string": "Li4 H4 Se2 O10\n1.0\n0.000000 5.584224 0.020164\n4.977108 0.000000 0.000000\n0.000000 -2.508775 -8.043456\nLi H Se O\n4 4 2 10\ndirect\n0.560117 0.410474 0.898090 Li\n0.682387 0.900957 0.503941 Li\n0.439883 0.910475 0.101911 Li\n0.317614 0.400957 0.496060 Li\n0.994778 0.774211 0.045570 H\n0.041797 0.015429 0.180415 H\n0.005223 0.274210 0.954431 H\n0.958204 0.515430 0.819586 H\n0.721401 0.401759 0.293531 Se\n0.278599 0.901759 0.706470 Se\n0.313051 0.236305 0.709264 O\n0.381833 0.776358 0.554850 O\n0.618167 0.276358 0.445151 O\n0.909169 0.440097 0.913846 O\n0.545036 0.281218 0.110651 O\n0.982126 0.811035 0.677928 O\n0.017875 0.311035 0.322073 O\n0.454965 0.781218 0.889350 O\n0.090831 0.940097 0.086155 O\n0.686950 0.736305 0.290737 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"H",
"Se",
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],
"chemical_system": "H-Li-O-Se",
"density": 2.600540742482707,
"density_atomic": 0.08956468591987723,
"volume": 223.3022959282367,
"volume_molar": 6.723789290555081,
"formula_full": "Li4 H4 Se2 O10",
"formula_reduced": "Li2H2SeO5",
"formula_anonymous": "AB2C2D5",
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"spacegroup": 4
},
{
"id": "jvasp-46772",
"created_at": "2022-09-04T14:38:08.396038Z",
"updated_at": "2022-09-04T14:38:08.396059Z",
"structure_string": "Li6 V2 P2 C2 O14\n1.0\n0.000000 4.868063 0.115448\n6.193759 0.000000 0.000000\n0.000000 -0.355020 -8.696046\nLi V P C O\n6 2 2 2 14\ndirect\n0.678474 0.410708 0.872992 Li\n0.196379 0.428299 0.685366 Li\n0.733639 0.714882 0.634396 Li\n0.266360 0.214882 0.365605 Li\n0.803621 0.928300 0.314634 Li\n0.321525 0.910708 0.127008 Li\n0.245025 0.965846 0.761438 V\n0.754975 0.465846 0.238563 V\n0.294550 0.707357 0.423541 P\n0.705449 0.207357 0.576459 P\n0.791863 0.803834 0.976028 C\n0.208136 0.303834 0.023972 C\n0.378687 0.261052 0.140291 O\n0.139021 0.511500 0.353952 O\n0.194064 0.911561 0.335154 O\n0.737997 0.212598 0.399282 O\n0.609331 0.681823 0.405518 O\n0.390668 0.181823 0.594482 O\n0.047164 0.850073 0.959039 O\n0.805935 0.411561 0.664846 O\n0.860978 0.011500 0.646048 O\n0.621313 0.761052 0.859709 O\n0.297576 0.290462 0.884787 O\n0.702424 0.790462 0.115214 O\n0.262002 0.712599 0.600719 O\n-0.047164 0.350073 0.040961 O\n",
"nsites": 26,
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"elements": [
"Li",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-V",
"density": 2.8747806895532224,
"density_atomic": 0.09925712931963025,
"volume": 261.9459194338994,
"volume_molar": 6.06721230130216,
"formula_full": "Li6 V2 P2 C2 O14",
"formula_reduced": "Li3VPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.890569553846154,
"spacegroup": 4
}
]
}