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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=192",
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"results": [
{
"id": "jvasp-45784",
"created_at": "2022-09-04T14:38:02.879688Z",
"updated_at": "2022-09-04T14:38:02.879711Z",
"structure_string": "Li6 V2 F12\n1.0\n0.000000 5.126938 0.532081\n8.861102 0.000000 0.000000\n0.000000 -2.392254 -5.181141\nLi V F\n6 2 12\ndirect\n0.485748 0.168384 0.921367 Li\n0.951570 0.338165 0.827130 Li\n0.824651 0.668374 0.597531 Li\n0.175351 0.168375 0.402469 Li\n0.514253 0.668384 0.078633 Li\n0.048431 0.838165 0.172870 Li\n0.760259 0.996851 0.533032 V\n0.239743 0.496851 0.466968 V\n0.779508 0.827798 0.308571 F\n0.204164 0.339594 0.211382 F\n0.321060 -0.004336 0.311356 F\n0.289955 0.662878 0.259770 F\n0.220493 0.327798 0.691429 F\n0.678941 0.495664 0.688644 F\n0.236135 0.640484 0.725744 F\n0.710047 0.162878 0.740230 F\n0.810423 0.523951 0.270555 F\n0.795838 0.839594 0.788618 F\n0.189579 0.023951 0.729445 F\n0.763866 0.140484 0.274256 F\n",
"nsites": 20,
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"elements": [
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"volume": 224.10183992094508,
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"formula_full": "Li6 V2 F12",
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"spacegroup": 4
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{
"id": "jvasp-46796",
"created_at": "2022-09-04T14:38:04.293644Z",
"updated_at": "2022-09-04T14:38:04.293663Z",
"structure_string": "Li6 Cr2 P2 C2 O14\n1.0\n0.000000 4.944552 0.122823\n6.435871 0.000000 0.000000\n0.000000 -0.960971 -8.526783\nLi Cr P C O\n6 2 2 2 14\ndirect\n0.831180 0.109224 0.929087 Li\n0.262675 0.530968 0.689400 Li\n0.776683 0.767990 0.619872 Li\n0.223317 0.267990 0.380128 Li\n0.737325 0.030968 0.310600 Li\n0.168820 0.609224 0.070913 Li\n0.262393 0.987221 0.738602 Cr\n0.737607 0.487221 0.261398 Cr\n0.245092 0.796662 0.389286 P\n0.754908 0.296662 0.610714 P\n0.664656 0.724817 0.947893 C\n0.335344 0.224817 0.052107 C\n0.493553 0.242839 0.186725 O\n0.133383 0.594128 0.300356 O\n0.118721 0.987018 0.303112 O\n0.838291 0.287310 0.440972 O\n0.562057 0.794283 0.403859 O\n0.437943 0.294283 0.596141 O\n0.903786 0.802806 0.968473 O\n0.881279 0.487018 0.696888 O\n0.866617 0.094128 0.699644 O\n0.506447 0.742839 0.813275 O\n0.433872 0.124733 0.940430 O\n0.566128 0.624733 0.059570 O\n0.161709 0.787310 0.559028 O\n0.096214 0.302806 0.031527 O\n",
"nsites": 26,
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"elements": [
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"Cr",
"P",
"C",
"O"
],
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"density": 2.7959513589138454,
"density_atomic": 0.09608848878823696,
"volume": 270.5839203830094,
"volume_molar": 6.267286368996598,
"formula_full": "Li6 Cr2 P2 C2 O14",
"formula_reduced": "Li3CrPCO7",
"formula_anonymous": "ABCD3E7",
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"spacegroup": 4
},
{
"id": "jvasp-30734",
"created_at": "2022-09-04T14:38:04.562981Z",
"updated_at": "2022-09-04T14:38:04.563009Z",
"structure_string": "Mg4 Sb8 O16\n1.0\n7.008117 0.011402 -0.302298\n-0.009738 6.332302 0.014683\n-0.424619 -0.023710 10.004454\nMg Sb O\n4 8 16\ndirect\n0.817843 0.211600 0.728307 Mg\n0.182154 0.711619 0.271698 Mg\n0.448233 0.212551 0.220829 Mg\n0.551771 0.712537 0.779168 Mg\n0.901647 0.385447 0.064253 Sb\n0.886706 0.146157 0.419259 Sb\n0.113340 0.646170 0.580758 Sb\n0.098323 0.885451 0.935748 Sb\n0.443998 0.251220 0.542068 Sb\n0.527216 0.724996 0.085750 Sb\n0.556008 0.751224 0.457915 Sb\n0.472765 0.224995 0.914235 Sb\n0.607609 0.433377 0.674167 O\n0.305668 0.051019 0.049974 O\n0.275843 0.505341 0.443134 O\n0.366490 0.514584 0.172308 O\n0.392397 0.933385 0.325819 O\n0.633492 0.014577 0.827691 O\n0.652102 0.204615 0.086681 O\n0.017828 0.754299 0.098908 O\n0.347873 0.704608 0.913308 O\n0.386360 0.802637 0.611355 O\n0.982152 0.254288 0.901099 O\n-0.007020 0.302106 0.582402 O\n0.724146 0.005330 0.556858 O\n0.007079 0.802193 0.417637 O\n0.613650 0.302635 0.388642 O\n0.694319 0.551033 0.950016 O\n",
"nsites": 28,
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"elements": [
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"Sb",
"O"
],
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"density": 4.973374784373603,
"density_atomic": 0.06318211631714622,
"volume": 443.1633764759067,
"volume_molar": 9.531400831481369,
"formula_full": "Mg4 Sb8 O16",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.709106464285714,
"spacegroup": 4
},
{
"id": "jvasp-45963",
"created_at": "2022-09-04T14:38:04.932949Z",
"updated_at": "2022-09-04T14:38:04.932972Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n0.000000 5.030571 -0.055922\n6.214715 0.000000 0.000000\n0.000000 -0.583514 -8.499137\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.776090 0.466363 0.179960 Li\n0.223911 0.966363 0.820040 Li\n0.213885 0.252500 0.337633 Ge\n0.786116 0.752500 0.662367 Ge\n0.271439 0.757555 0.428555 P\n0.728562 0.257555 0.571445 P\n0.286101 0.249928 0.062911 C\n0.713900 0.749927 0.937089 C\n0.524024 0.767223 0.819815 O\n0.796710 0.452496 0.675538 O\n0.811544 0.061120 0.671620 O\n0.127776 0.764766 0.584451 O\n0.423367 0.250687 0.525788 O\n0.576633 0.750686 0.474213 O\n0.475976 0.267223 0.180185 O\n0.188456 0.561120 0.328381 O\n0.203290 0.952496 0.324462 O\n0.952014 0.757770 0.876111 O\n0.047987 0.257770 0.123889 O\n0.670925 0.721739 0.076154 O\n0.872224 0.264766 0.415550 O\n0.329076 0.221740 0.923847 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
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"C",
"O"
],
"chemical_system": "C-Ge-Li-O-P",
"density": 2.9294812525422396,
"density_atomic": 0.08273285683872127,
"volume": 265.9161165301787,
"volume_molar": 7.279019473169541,
"formula_full": "Li2 Ge2 P2 C2 O14",
"formula_reduced": "LiGePCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.841468722727272,
"spacegroup": 4
},
{
"id": "jvasp-36727",
"created_at": "2022-09-04T14:38:05.201616Z",
"updated_at": "2022-09-04T14:38:05.201643Z",
"structure_string": "Rb2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.940888 -0.024179\n8.175521 0.000000 0.000000\n0.000000 -2.849092 -5.297386\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.365541 0.229258 0.711683 Rb\n0.634461 0.729258 0.288318 Rb\n0.013470 0.484411 0.004912 Ba\n0.986531 0.984411 0.995089 Ba\n0.694809 0.245929 0.377653 Si\n0.305192 0.745928 0.622348 Si\n0.513292 0.009448 0.454748 H\n0.486709 0.509447 0.545253 H\n0.844463 0.241203 0.208919 O\n0.155538 0.741203 0.791082 O\n0.885914 0.236256 0.681703 O\n0.114088 0.736255 0.318298 O\n0.493011 0.399365 0.309684 O\n0.506990 0.899365 0.690317 O\n0.507795 0.071132 0.305247 O\n0.492206 0.571132 0.694754 O\n",
"nsites": 16,
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"elements": [
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"Ba",
"Si",
"H",
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],
"chemical_system": "Ba-H-O-Rb-Si",
"density": 4.068471027484291,
"density_atomic": 0.06205002468982901,
"volume": 257.85646468280385,
"volume_molar": 9.705299538723835,
"formula_full": "Rb2 Ba2 Si2 H2 O8",
"formula_reduced": "RbBaSiHO4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7496623212499998,
"spacegroup": 4
},
{
"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,
"nelements": 5,
"elements": [
"Na",
"V",
"Si",
"C",
"O"
],
"chemical_system": "C-Na-O-Si-V",
"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",
"energy_above_hull": 3.069495118181817,
"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,
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"elements": [
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"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,
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"elements": [
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"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": [
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"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": [
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"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
}
]
}