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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=623",
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"results": [
{
"id": "jvasp-55661",
"created_at": "2022-09-04T14:38:06.618000Z",
"updated_at": "2022-09-04T14:38:06.618010Z",
"structure_string": "Al4 Cu2 Cl16\n1.0\n0.000000 6.361378 -0.127935\n7.344998 0.000000 0.000000\n0.000000 -0.967152 -12.074172\nAl Cu Cl\n4 2 16\ndirect\n0.810639 0.736044 0.812492 Al\n0.810639 0.763956 0.312492 Al\n0.189362 0.263956 0.187509 Al\n0.189362 0.236044 0.687509 Al\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.646569 -0.004976 0.362645 Cl\n0.353431 0.495024 0.137355 Cl\n0.353431 0.004976 0.637355 Cl\n0.646569 0.504976 0.862645 Cl\n0.169361 0.229446 0.361219 Cl\n0.830640 0.729446 0.138782 Cl\n0.830640 0.770554 0.638782 Cl\n0.309633 0.010294 0.113613 Cl\n0.690367 0.510294 0.386387 Cl\n0.129260 0.761068 0.896699 Cl\n0.309633 0.489706 0.613613 Cl\n0.690367 0.989706 0.886387 Cl\n0.870741 0.238932 0.103301 Cl\n0.129260 0.738932 0.396699 Cl\n0.169361 0.270554 0.861218 Cl\n0.870741 0.261068 0.603301 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.357589954175605,
"density_atomic": 0.03893349441202668,
"volume": 565.0661553051896,
"volume_molar": 15.467763299817602,
"formula_full": "Al4 Cu2 Cl16",
"formula_reduced": "Al2CuCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2954289627272727,
"spacegroup": 14
},
{
"id": "jvasp-4237",
"created_at": "2022-09-04T14:38:06.632272Z",
"updated_at": "2022-09-04T14:38:06.632294Z",
"structure_string": "Ga4 Br12\n1.0\n0.000000 8.863864 -0.060489\n5.539479 0.000000 0.000000\n0.000000 -3.390950 -10.390360\nGa Br\n4 12\ndirect\n0.703047 0.001563 0.050098 Ga\n0.296952 0.501563 0.449902 Ga\n0.296952 0.998438 0.949902 Ga\n0.703047 0.498438 0.550098 Ga\n0.832298 0.746557 0.213065 Br\n0.167701 0.246557 0.286935 Br\n0.167701 0.253443 0.786935 Br\n0.832298 0.753444 0.713065 Br\n0.831551 0.257475 0.950653 Br\n0.168449 0.757475 0.549347 Br\n0.168449 0.742525 0.049347 Br\n0.831551 0.242525 0.450653 Br\n0.500724 0.771112 0.882212 Br\n0.499275 0.271112 0.617788 Br\n0.499275 0.228888 0.117788 Br\n0.500724 0.728888 0.382212 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ga",
"Br"
],
"chemical_system": "Br-Ga",
"density": 4.019664189836261,
"density_atomic": 0.031291849425553984,
"volume": 511.3152560082901,
"volume_molar": 19.24507777760849,
"formula_full": "Ga4 Br12",
"formula_reduced": "GaBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-4249",
"created_at": "2022-09-04T14:38:06.877999Z",
"updated_at": "2022-09-04T14:38:06.878029Z",
"structure_string": "Ga4 I12\n1.0\n0.000000 9.606395 -0.072405\n6.000259 0.000000 0.000000\n0.000000 -3.659689 -11.223707\nGa I\n4 12\ndirect\n0.699372 0.001336 0.049244 Ga\n0.300629 0.501336 0.450756 Ga\n0.300629 0.998664 0.950757 Ga\n0.699372 0.498664 0.549244 Ga\n0.834008 0.743911 0.215026 I\n0.165992 0.243911 0.284975 I\n0.165992 0.256090 0.784975 I\n0.834009 0.756090 0.715026 I\n0.832910 0.258828 0.948968 I\n0.167091 0.758828 0.551033 I\n0.167091 0.741172 0.051033 I\n0.832910 0.241172 0.448968 I\n0.500644 0.765717 0.879060 I\n0.499357 0.265717 0.620941 I\n0.499357 0.234283 0.120941 I\n0.500644 0.734283 0.379060 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ga",
"I"
],
"chemical_system": "Ga-I",
"density": 4.61327979029229,
"density_atomic": 0.024671025392467055,
"volume": 648.5340493745903,
"volume_molar": 24.409770831166078,
"formula_full": "Ga4 I12",
"formula_reduced": "GaI3",
"formula_anonymous": "AB3",
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"spacegroup": 14
},
{
"id": "jvasp-29489",
"created_at": "2022-09-04T14:38:06.714849Z",
"updated_at": "2022-09-04T14:38:06.714877Z",
"structure_string": "Al8 H24 O24\n1.0\n5.075468 0.000000 -0.027961\n0.000000 8.726173 0.000000\n-0.009479 0.000000 9.323782\nAl H O\n8 24 24\ndirect\n0.463619 0.832864 0.503582 Al\n0.029212 0.334991 0.496389 Al\n0.963619 0.667136 0.003583 Al\n0.529212 0.165009 0.996389 Al\n0.036381 0.332864 0.996417 Al\n0.970788 0.665009 0.503611 Al\n0.470788 0.834990 0.003611 Al\n0.536381 0.167136 0.496418 Al\n0.825726 0.204360 0.710052 H\n0.355928 0.598092 0.153338 H\n0.046042 0.505530 0.289396 H\n0.546042 0.994469 0.789396 H\n0.455752 0.419053 0.615151 H\n0.544248 0.580947 0.384849 H\n0.325726 0.295640 0.210052 H\n0.644072 0.401908 0.846662 H\n0.674274 0.704360 0.789948 H\n0.453958 0.005531 0.210604 H\n0.812669 0.958464 0.371010 H\n0.735735 0.765943 0.215647 H\n0.955753 0.080947 0.115151 H\n0.855928 0.901908 0.653338 H\n0.235734 0.734056 0.715647 H\n0.687331 0.458465 0.128990 H\n0.144072 0.098092 0.346662 H\n0.264265 0.234056 0.784353 H\n0.044247 0.919052 0.884848 H\n0.312669 0.541535 0.871010 H\n0.174274 0.795640 0.289948 H\n0.764266 0.265944 0.284353 H\n0.187331 0.041535 0.628990 H\n0.953958 0.494469 0.710604 H\n0.142026 0.827290 0.390556 O\n0.354098 0.323773 0.603988 O\n0.371881 0.012381 0.611861 O\n0.857974 0.172709 0.609444 O\n0.642026 0.672709 0.890556 O\n0.275150 0.696033 0.618223 O\n0.775371 0.807575 0.618094 O\n0.724850 0.303967 0.381777 O\n0.724629 0.307575 0.881906 O\n0.645903 0.676226 0.396012 O\n0.128119 0.512381 0.888139 O\n0.127459 0.510351 0.386220 O\n0.871881 0.487618 0.111861 O\n0.224850 0.196033 0.881777 O\n0.224629 0.192425 0.381906 O\n0.775150 0.803966 0.118223 O\n0.275371 0.692425 0.118094 O\n0.627459 0.989648 0.886220 O\n0.372541 0.010352 0.113779 O\n0.628119 0.987618 0.388139 O\n0.145902 0.823773 0.896012 O\n0.872541 0.489648 0.613779 O\n0.854098 0.176226 0.103988 O\n0.357974 0.327291 0.109444 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.509365422944332,
"density_atomic": 0.1356120983476387,
"volume": 412.9425079497347,
"volume_molar": 4.44071055117986,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4483790428571437,
"spacegroup": 14
},
{
"id": "jvasp-20970",
"created_at": "2022-09-04T14:38:07.080655Z",
"updated_at": "2022-09-04T14:38:07.080679Z",
"structure_string": "Na20 Ge4 P12\n1.0\n0.000000 8.090625 0.015606\n7.356323 0.000000 0.000000\n0.000000 -8.064783 -13.151678\nNa Ge P\n20 4 12\ndirect\n0.167670 0.851588 0.242062 Na\n0.159112 0.336855 0.580950 Na\n0.245217 0.966153 0.915111 Na\n0.832331 0.148412 0.757938 Na\n0.832331 0.351588 0.257938 Na\n0.754785 0.466153 0.584889 Na\n0.754784 0.033847 0.084889 Na\n0.245216 0.533847 0.415111 Na\n0.915317 0.518101 0.087586 Na\n0.084684 0.018101 0.412414 Na\n0.167670 0.648411 0.742062 Na\n0.915317 0.981898 0.587586 Na\n0.563668 0.995507 0.241524 Na\n0.436332 0.495507 0.258476 Na\n0.436333 0.004493 0.758476 Na\n0.563668 0.504492 0.741524 Na\n0.840889 0.836855 0.919049 Na\n0.084684 0.481899 0.912414 Na\n0.840888 0.663145 0.419049 Na\n0.159112 0.163145 0.080950 Na\n0.484274 0.356571 0.912614 Ge\n0.515727 0.856571 0.587386 Ge\n0.515727 0.643428 0.087386 Ge\n0.484274 0.143428 0.412614 Ge\n0.764147 0.263226 0.418451 P\n0.235853 0.763225 0.081549 P\n0.816790 0.762102 0.729149 P\n0.183211 0.262103 0.770851 P\n0.183211 0.237897 0.270851 P\n0.477721 0.189761 0.566765 P\n0.522280 0.689761 0.933235 P\n0.522279 0.810239 0.433235 P\n0.477721 0.310239 0.066765 P\n0.816790 0.737897 0.229149 P\n0.764147 0.236774 0.918451 P\n0.235854 0.736774 0.581549 P\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Ge",
"P"
],
"chemical_system": "Ge-Na-P",
"density": 2.383129330362799,
"density_atomic": 0.04604605952380212,
"volume": 781.825858114762,
"volume_molar": 13.078514909374682,
"formula_full": "Na20 Ge4 P12",
"formula_reduced": "Na5GeP3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.7652597166666667,
"spacegroup": 14
},
{
"id": "jvasp-52533",
"created_at": "2022-09-04T14:38:07.371115Z",
"updated_at": "2022-09-04T14:38:07.371140Z",
"structure_string": "Ba6 Br4 O4\n1.0\n0.000000 7.471254 -0.028817\n8.215894 0.000000 0.000000\n0.000000 -3.224382 -7.065624\nBa Br O\n6 4 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.405759 0.879085 0.769095 Ba\n0.594241 0.379085 0.730905 Ba\n0.405759 0.620915 0.269095 Ba\n0.594241 0.120915 0.230905 Ba\n0.185127 0.346404 0.926190 Br\n0.185127 0.153596 0.426190 Br\n0.814872 0.846404 0.573810 Br\n0.814872 0.653596 0.073810 Br\n0.341341 0.612496 0.567277 O\n0.658659 0.112497 0.932723 O\n0.341341 0.887503 0.067277 O\n0.658659 0.387503 0.432723 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.615309406742133,
"density_atomic": 0.032222959847103196,
"volume": 434.47281275306506,
"volume_molar": 18.688974534229146,
"formula_full": "Ba6 Br4 O4",
"formula_reduced": "Ba3(BrO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.3384889214285713,
"spacegroup": 14
},
{
"id": "jvasp-47291",
"created_at": "2022-09-04T14:38:07.474974Z",
"updated_at": "2022-09-04T14:38:07.474987Z",
"structure_string": "Cr6 O4 F4\n1.0\n0.000000 5.499945 -0.023310\n6.412336 0.000000 0.000000\n0.000000 -2.653695 -5.251576\nCr O F\n6 4 4\ndirect\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.247103 0.877582 0.540360 Cr\n0.252899 0.377581 0.459641 Cr\n0.747103 0.622419 0.540360 Cr\n0.752899 0.122419 0.459641 Cr\n0.474190 0.622262 0.678558 O\n0.025812 0.122262 0.321442 O\n0.974190 0.877739 0.678558 O\n0.525812 0.377738 0.321442 O\n0.130691 0.379788 0.757312 F\n0.630691 0.120212 0.757312 F\n0.369311 0.879789 0.242688 F\n0.869311 0.620212 0.242688 F\n",
"nsites": 14,
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"elements": [
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"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.04355381228676,
"density_atomic": 0.07542835875877416,
"volume": 185.60658392121596,
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"formula_full": "Cr6 O4 F4",
"formula_reduced": "Cr3(OF)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.8305228235714286,
"spacegroup": 14
},
{
"id": "jvasp-20654",
"created_at": "2022-09-04T14:38:07.449578Z",
"updated_at": "2022-09-04T14:38:07.449609Z",
"structure_string": "Si4 Rh4\n1.0\n0.000000 4.624867 -0.013791\n4.594932 0.000000 0.000000\n0.000000 -2.376474 -5.151113\nSi Rh\n4 4\ndirect\n0.784166 0.353145 0.052514 Si\n0.215835 0.853145 0.447486 Si\n0.215835 0.646854 0.947485 Si\n0.784166 0.146854 0.552514 Si\n0.299482 0.358835 0.623143 Rh\n0.700519 0.858834 0.876856 Rh\n0.700519 0.641165 0.376857 Rh\n0.299482 0.141165 0.123143 Rh\n",
"nsites": 8,
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],
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"density": 7.937323438082302,
"density_atomic": 0.07298162319288701,
"volume": 109.61663566808284,
"volume_molar": 8.251585120385393,
"formula_full": "Si4 Rh4",
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"spacegroup": 14
},
{
"id": "jvasp-30233",
"created_at": "2022-09-04T14:38:07.876341Z",
"updated_at": "2022-09-04T14:38:07.876359Z",
"structure_string": "Mn2 C4 O12\n1.0\n4.216599 0.000000 4.303042\n0.000000 7.561963 0.000000\n-2.203642 0.000000 4.318680\nMn C O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.122724 0.271280 0.773863 C\n0.377277 0.771280 0.726136 C\n0.622724 0.228720 0.273863 C\n0.877276 0.728719 0.226136 C\n0.803161 0.579424 0.353125 O\n0.696839 0.079425 0.146874 O\n0.552386 0.356500 0.147100 O\n0.609714 0.260819 0.541138 O\n0.390287 0.739180 0.458861 O\n0.196839 0.420575 0.646874 O\n0.303161 0.920575 0.853125 O\n0.947614 0.856500 0.352900 O\n0.052386 0.143500 0.647100 O\n0.109714 0.239180 0.041139 O\n0.447615 0.643499 0.852900 O\n0.890287 0.760819 0.958860 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.7746662085662437,
"density_atomic": 0.0859559017773786,
"volume": 209.40970460200722,
"volume_molar": 7.00608176457393,
"formula_full": "Mn2 C4 O12",
"formula_reduced": "Mn(CO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.9143686934865904,
"spacegroup": 14
},
{
"id": "jvasp-9837",
"created_at": "2022-09-04T14:38:07.577657Z",
"updated_at": "2022-09-04T14:38:07.577670Z",
"structure_string": "Mo2 W2 O12\n1.0\n0.000000 5.214809 0.001309\n5.361955 0.000000 0.000000\n0.000000 -5.213079 -7.454866\nMo W O\n2 2 12\ndirect\n0.500000 0.000000 -0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.171317 0.714233 0.457487 O\n0.828683 0.214234 0.042513 O\n0.828684 0.285766 0.542513 O\n0.171317 0.785765 0.957488 O\n0.754500 0.784061 0.542482 O\n0.245500 0.284061 0.957519 O\n0.245500 0.215938 0.457519 O\n0.754500 0.715938 0.042481 O\n0.335197 0.511413 0.250918 O\n0.664803 0.011413 0.249082 O\n0.335197 0.988586 0.750918 O\n0.664803 0.488587 0.749082 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.988022465771258,
"density_atomic": 0.07677057776992618,
"volume": 208.41317682863368,
"volume_molar": 7.844334294380016,
"formula_full": "Mo2 W2 O12",
"formula_reduced": "MoWO6",
"formula_anonymous": "ABC6",
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"spacegroup": 14
},
{
"id": "jvasp-30316",
"created_at": "2022-09-04T14:38:07.622715Z",
"updated_at": "2022-09-04T14:38:07.622746Z",
"structure_string": "Ni6 P24\n1.0\n4.840958 0.000000 0.009935\n0.000000 14.156597 0.000000\n-1.448458 0.000000 6.926654\nNi P\n6 24\ndirect\n-0.000000 0.500000 0.500000 Ni\n0.144155 0.329725 0.878050 Ni\n0.000000 0.000000 0.000000 Ni\n0.144156 0.170275 0.378051 Ni\n0.855844 0.829726 0.621949 Ni\n0.855845 0.670275 0.121950 Ni\n0.504580 0.283613 0.452639 P\n0.640761 0.892664 0.864342 P\n0.747210 0.115424 0.791312 P\n0.495420 0.783613 0.047361 P\n0.789270 0.448643 0.746229 P\n0.640762 0.607336 0.364342 P\n0.623003 0.554585 0.927758 P\n0.747210 0.384576 0.291312 P\n0.789270 0.051357 0.246229 P\n0.623003 0.945415 0.427758 P\n0.376997 0.445415 0.072242 P\n0.252790 0.884576 0.208688 P\n0.359239 0.107336 0.135658 P\n0.925329 0.227647 0.622915 P\n0.504580 0.216387 0.952639 P\n0.376997 0.054585 0.572242 P\n0.359238 0.392664 0.635658 P\n0.210730 0.551357 0.253771 P\n0.252790 0.615425 0.708688 P\n0.210730 0.948643 0.753771 P\n0.074671 0.772353 0.377085 P\n0.074671 0.727647 0.877085 P\n0.495420 0.716387 0.547361 P\n0.925329 0.272353 0.122915 P\n",
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"volume": 474.8976492453511,
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"formula_full": "Ni6 P24",
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"formula_anonymous": "AB4",
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"spacegroup": 14
},
{
"id": "jvasp-43060",
"created_at": "2022-09-04T14:38:07.689655Z",
"updated_at": "2022-09-04T14:38:07.689683Z",
"structure_string": "Na4 Co4 O6\n1.0\n0.000000 5.724506 0.007727\n5.587556 0.000000 0.000000\n0.000000 -2.837232 -5.384052\nNa Co O\n4 4 6\ndirect\n0.140885 0.346882 0.892862 Na\n0.140885 0.153119 0.392862 Na\n0.859116 0.846882 0.607137 Na\n0.859116 0.653119 0.107137 Na\n0.345199 0.628736 0.591824 Co\n0.654801 0.128735 0.908174 Co\n0.345199 0.871265 0.091825 Co\n0.654801 0.371265 0.408174 Co\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.339766 0.925994 0.754508 O\n0.339766 0.574007 0.254509 O\n0.660234 0.425994 0.745490 O\n0.660234 0.074007 0.245491 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.088230773893664,
"density_atomic": 0.08135193998025074,
"volume": 172.09177806206816,
"volume_molar": 7.402577936631817,
"formula_full": "Na4 Co4 O6",
"formula_reduced": "Na2Co2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.859448614285714,
"spacegroup": 14
}
]
}