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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=603",
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"results": [
{
"id": "jvasp-58891",
"created_at": "2022-09-04T14:37:16.720972Z",
"updated_at": "2022-09-04T14:37:16.721003Z",
"structure_string": "Rb12 Cu4 O8\n1.0\n0.000000 6.727831 -0.010800\n9.711600 0.000000 0.000000\n0.000000 -3.524069 -8.716427\nRb Cu O\n12 4 8\ndirect\n0.238618 0.709614 0.312267 Rb\n0.245415 0.464029 0.005133 Rb\n0.245415 0.035971 0.505133 Rb\n0.754585 0.535971 0.994868 Rb\n0.734687 0.522380 0.375108 Rb\n0.265313 0.022380 0.124892 Rb\n0.754585 0.964029 0.494868 Rb\n0.734687 0.977620 0.875108 Rb\n0.238618 0.790386 0.812267 Rb\n0.761382 0.290386 0.687734 Rb\n0.761382 0.209614 0.187733 Rb\n0.265313 0.477620 0.624893 Rb\n0.292227 0.320437 0.327222 Cu\n0.707773 0.820437 0.172778 Cu\n0.707773 0.679563 0.672778 Cu\n0.292227 0.179563 0.827222 Cu\n0.512379 0.302008 0.879330 O\n0.067710 0.060537 0.777940 O\n0.932290 0.560537 0.722061 O\n0.932290 0.939463 0.222061 O\n0.067710 0.439463 0.277940 O\n0.487621 0.697992 0.120670 O\n0.512379 0.197992 0.379330 O\n0.487621 0.802008 0.620670 O\n",
"nsites": 24,
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"O"
],
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"density": 4.10205715952172,
"density_atomic": 0.04211386612360988,
"volume": 569.8835611424694,
"volume_molar": 14.299662591708406,
"formula_full": "Rb12 Cu4 O8",
"formula_reduced": "Rb3CuO2",
"formula_anonymous": "AB2C3",
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"spacegroup": 14
},
{
"id": "jvasp-9083",
"created_at": "2022-09-04T14:37:16.521113Z",
"updated_at": "2022-09-04T14:37:16.521140Z",
"structure_string": "Sb8 Ir4\n1.0\n0.000000 6.709150 -0.007532\n6.651956 0.000000 0.000000\n0.000000 -2.863545 -6.173406\nSb Ir\n8 4\ndirect\n0.149165 0.134859 0.877330 Sb\n0.850834 0.634859 0.622671 Sb\n0.850835 0.865142 0.122670 Sb\n0.149165 0.365141 0.377329 Sb\n0.344376 0.637367 0.176999 Sb\n0.655624 0.137367 0.323001 Sb\n0.655624 0.362634 0.823002 Sb\n0.344376 0.862634 0.676999 Sb\n0.270948 0.499066 0.789307 Ir\n0.729051 0.999066 0.710694 Ir\n0.729051 0.500935 0.210694 Ir\n0.270948 0.000935 0.289306 Ir\n",
"nsites": 12,
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"elements": [
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],
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"density": 10.499429996654177,
"density_atomic": 0.043532483145660154,
"volume": 275.65622571650397,
"volume_molar": 13.833671605292658,
"formula_full": "Sb8 Ir4",
"formula_reduced": "Sb2Ir",
"formula_anonymous": "AB2",
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"spacegroup": 14
},
{
"id": "jvasp-57256",
"created_at": "2022-09-04T14:37:17.058520Z",
"updated_at": "2022-09-04T14:37:17.058544Z",
"structure_string": "K4 Li4 C4 O12\n1.0\n0.000000 6.469328 -0.091322\n7.066934 0.000000 0.000000\n0.000000 -3.625016 -6.573341\nK Li C O\n4 4 4 12\ndirect\n0.176683 0.644168 0.340158 K\n0.823317 0.144169 0.159842 K\n0.823316 0.355831 0.659842 K\n0.176683 0.855831 0.840158 K\n0.397166 0.432105 0.794831 Li\n0.602834 0.567894 0.205169 Li\n0.602833 0.932105 0.705169 Li\n0.397166 0.067895 0.294831 Li\n0.709683 0.834049 0.417294 C\n0.290316 0.165950 0.582706 C\n0.290317 0.334049 0.082706 C\n0.709683 0.665950 0.917294 C\n0.746835 0.979921 0.533671 O\n0.475456 0.336104 0.262449 O\n0.524543 0.663895 0.737551 O\n0.253164 0.479922 0.966329 O\n0.475456 0.163896 0.762449 O\n0.524543 0.836104 0.237551 O\n0.156171 0.312173 0.528884 O\n0.156171 0.187827 0.028884 O\n0.253165 0.020078 0.466329 O\n0.746835 0.520078 0.033671 O\n0.843828 0.812173 0.971115 O\n0.843828 0.687827 0.471115 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Li",
"C",
"O"
],
"chemical_system": "C-K-Li-O",
"density": 2.3257780930056327,
"density_atomic": 0.07924413459603004,
"volume": 302.86153192721406,
"volume_molar": 7.599478233562156,
"formula_full": "K4 Li4 C4 O12",
"formula_reduced": "KLiCO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 14
},
{
"id": "jvasp-9135",
"created_at": "2022-09-04T14:37:17.086432Z",
"updated_at": "2022-09-04T14:37:17.086441Z",
"structure_string": "Sb8 Rh4\n1.0\n0.000000 6.721460 -0.006895\n6.660640 0.000000 0.000000\n0.000000 -3.014076 -6.083928\nSb Rh\n8 4\ndirect\n0.344684 0.638458 0.173577 Sb\n0.655316 0.138458 0.326422 Sb\n0.655315 0.361542 0.826422 Sb\n0.344683 0.861542 0.673577 Sb\n0.150372 0.362855 0.371279 Sb\n0.849628 0.862855 0.128720 Sb\n0.849627 0.637145 0.628720 Sb\n0.150372 0.137145 0.871279 Sb\n0.270629 0.000399 0.285255 Rh\n0.729370 0.500399 0.214745 Rh\n0.729370 0.999601 0.714745 Rh\n0.270629 0.499601 0.785255 Rh\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Rh-Sb",
"density": 8.443735884636682,
"density_atomic": 0.044034892975647874,
"volume": 272.51116533055335,
"volume_molar": 13.675838302435203,
"formula_full": "Sb8 Rh4",
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"spacegroup": 14
},
{
"id": "jvasp-50679",
"created_at": "2022-09-04T14:37:17.276256Z",
"updated_at": "2022-09-04T14:37:17.276281Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n0.000000 5.626001 -0.060698\n5.714015 0.000000 0.000000\n0.000000 -3.334342 -10.067080\nLi Cu P O\n4 4 4 16\ndirect\n0.304999 0.338829 0.077010 Li\n0.695001 0.838829 0.422990 Li\n0.305000 0.161172 0.577010 Li\n0.695001 0.661172 0.922990 Li\n0.746484 0.401323 0.357970 Cu\n0.253516 0.901323 0.142030 Cu\n0.746484 0.098678 0.857970 Cu\n0.253516 0.598678 0.642030 Cu\n0.181671 0.684470 0.393793 P\n0.818329 0.184470 0.106208 P\n0.181671 0.815531 0.893793 P\n0.818330 0.315531 0.606208 P\n0.233956 0.443342 0.466459 O\n0.251119 0.857582 0.513787 O\n0.748881 0.357582 0.986213 O\n0.766044 0.943343 0.033541 O\n0.901720 0.697731 0.312581 O\n0.646038 0.230875 0.193137 O\n0.353962 0.769126 0.806863 O\n0.353962 0.730876 0.306863 O\n0.233956 0.056658 0.966459 O\n0.251119 0.642419 0.013787 O\n0.748881 0.142419 0.486213 O\n0.766045 0.556659 0.533541 O\n0.646039 0.269125 0.693137 O\n0.098280 0.197730 0.187419 O\n0.098280 0.302270 0.687419 O\n0.901720 0.802270 0.812581 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Cu",
"P",
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],
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"density_atomic": 0.08621129925426524,
"volume": 324.78341287281694,
"volume_molar": 6.985326531547499,
"formula_full": "Li4 Cu4 P4 O16",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8343285642857143,
"spacegroup": 14
},
{
"id": "jvasp-29643",
"created_at": "2022-09-04T14:37:17.536181Z",
"updated_at": "2022-09-04T14:37:17.536206Z",
"structure_string": "Hg4 C4 N8\n1.0\n5.596945 0.037465 0.000000\n-2.686015 6.370689 0.000000\n0.000000 0.000000 7.065834\nHg C N\n4 4 8\ndirect\n0.007296 0.255700 0.886144 Hg\n0.992706 0.744300 0.113855 Hg\n0.992706 0.244300 0.386145 Hg\n0.007296 0.755700 0.613855 Hg\n0.431429 0.776077 0.361224 C\n0.431429 0.276077 0.138776 C\n0.568573 0.223924 0.638776 C\n0.568573 0.723924 0.861223 C\n0.816598 0.284677 0.638373 N\n0.339812 0.674220 0.863144 N\n0.660190 0.825780 0.363145 N\n0.183404 0.715324 0.361627 N\n0.660190 0.325780 0.136855 N\n0.816599 0.784677 0.861627 N\n0.183404 0.215324 0.138373 N\n0.339812 0.174220 0.636855 N\n",
"nsites": 16,
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"elements": [
"Hg",
"C",
"N"
],
"chemical_system": "C-Hg-N",
"density": 6.325652402640799,
"density_atomic": 0.06332790834901121,
"volume": 252.65322062780274,
"volume_molar": 9.509457863049773,
"formula_full": "Hg4 C4 N8",
"formula_reduced": "HgCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.792100275,
"spacegroup": 14
},
{
"id": "jvasp-85259",
"created_at": "2022-09-04T14:37:17.960722Z",
"updated_at": "2022-09-04T14:37:17.960746Z",
"structure_string": "Ca10 Au8\n1.0\n7.249469 0.000000 -2.607396\n0.000000 8.047824 0.000000\n-0.070891 0.000000 8.047518\nCa Au\n10 8\ndirect\n0.062074 0.321842 0.689986 Ca\n0.500000 0.500000 -0.000000 Ca\n0.755651 0.167523 0.255582 Ca\n0.244349 0.832476 0.744418 Ca\n0.937926 0.678157 0.310014 Ca\n0.744349 0.667523 0.744417 Ca\n0.255651 0.332477 0.255582 Ca\n0.437926 0.821842 0.310014 Ca\n0.562074 0.178158 0.689986 Ca\n0.000000 0.000000 0.000000 Ca\n0.153883 0.034447 0.417998 Au\n0.632755 0.864791 0.014712 Au\n0.846118 0.965553 0.582001 Au\n0.367245 0.135209 0.985288 Au\n0.346118 0.534446 0.582002 Au\n0.867245 0.364791 0.985288 Au\n0.653883 0.465553 0.417998 Au\n0.132755 0.635209 0.014712 Au\n",
"nsites": 18,
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"elements": [
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],
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"density": 7.012618634177649,
"density_atomic": 0.03845953706164957,
"volume": 468.02435430115816,
"volume_molar": 15.65838078172048,
"formula_full": "Ca10 Au8",
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},
{
"id": "jvasp-24602",
"created_at": "2022-09-04T14:37:18.135602Z",
"updated_at": "2022-09-04T14:37:18.135633Z",
"structure_string": "Pd4 I8\n1.0\n0.000000 6.798365 0.020722\n8.500780 0.000000 0.000000\n0.000000 -1.705245 -6.702982\nPd I\n4 8\ndirect\n0.241834 0.374354 -0.000303 Pd\n0.758165 0.874354 0.500303 Pd\n0.758165 0.625646 0.000303 Pd\n0.241835 0.125646 0.499697 Pd\n0.015167 0.905992 0.271550 I\n0.984833 0.405992 0.228450 I\n0.984833 0.094008 0.728450 I\n0.015167 0.594008 0.771550 I\n0.533319 0.658122 0.262229 I\n0.466680 0.158122 0.237771 I\n0.466681 0.341878 0.737771 I\n0.533320 0.841878 0.762229 I\n",
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],
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"density": 6.181491541470698,
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"volume": 387.07436467515737,
"volume_molar": 19.425135905511407,
"formula_full": "Pd4 I8",
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},
{
"id": "jvasp-50442",
"created_at": "2022-09-04T14:37:18.105482Z",
"updated_at": "2022-09-04T14:37:18.105492Z",
"structure_string": "K4 Sr4 O6\n1.0\n0.000000 7.067478 0.017058\n7.113789 0.000000 0.000000\n0.000000 -3.426015 -6.241302\nK Sr O\n4 4 6\ndirect\n0.902783 0.345334 0.115886 K\n0.402783 0.154666 0.115887 K\n0.597216 0.845334 0.884113 K\n0.097216 0.654666 0.884113 K\n0.581334 0.621865 0.341345 Sr\n0.918665 0.121865 0.658654 Sr\n0.081334 0.878135 0.341345 Sr\n0.418665 0.378135 0.658654 Sr\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.736481 0.923099 0.342472 O\n0.763518 0.423099 0.657527 O\n0.236481 0.576901 0.342473 O\n0.263518 0.076901 0.657527 O\n",
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},
{
"id": "jvasp-11156",
"created_at": "2022-09-04T14:37:18.213379Z",
"updated_at": "2022-09-04T14:37:18.213399Z",
"structure_string": "Nd4 As8\n1.0\n0.000000 4.148100 -0.002057\n6.911150 0.000000 0.000000\n0.000000 -3.067313 -10.149540\nNd As\n4 8\ndirect\n0.088516 0.811229 0.359313 Nd\n0.911484 0.311229 0.140687 Nd\n0.911484 0.188771 0.640687 Nd\n0.088517 0.688771 0.859313 Nd\n0.728828 0.876264 0.049714 As\n0.271172 0.376264 0.450286 As\n0.271173 0.123736 0.950286 As\n0.728829 0.623736 0.549714 As\n0.539113 0.358583 0.828967 As\n0.460888 0.858583 0.671033 As\n0.460887 0.641417 0.171033 As\n0.539113 0.141417 0.328967 As\n",
"nsites": 12,
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],
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"density": 6.712298807806572,
"density_atomic": 0.041235405512851875,
"volume": 291.0120526463587,
"volume_molar": 14.604296199107521,
"formula_full": "Nd4 As8",
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"spacegroup": 14
},
{
"id": "jvasp-49203",
"created_at": "2022-09-04T14:37:18.117595Z",
"updated_at": "2022-09-04T14:37:18.117621Z",
"structure_string": "Sr4 Ca2 U2 O12\n1.0\n0.000000 5.951673 -0.004149\n6.116528 0.000000 0.000000\n0.000000 -5.912993 -8.476958\nSr Ca U O\n4 2 2 12\ndirect\n0.734224 0.548637 0.247493 Sr\n0.265776 0.048636 0.252508 Sr\n0.734224 0.951364 0.747493 Sr\n0.265776 0.451364 0.752508 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.247501 0.719367 0.560946 O\n0.752500 0.219366 0.939055 O\n0.666236 0.688869 0.950414 O\n0.333765 0.188869 0.549587 O\n0.333765 0.311131 0.049587 O\n0.130662 0.042755 0.734952 O\n0.869338 0.957246 0.265049 O\n0.130662 0.457245 0.234952 O\n0.247501 0.780634 0.060946 O\n0.869338 0.542755 0.765049 O\n0.666235 0.811131 0.450414 O\n0.752499 0.280634 0.439055 O\n",
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"volume": 308.7416293517051,
"volume_molar": 9.296427752138579,
"formula_full": "Sr4 Ca2 U2 O12",
"formula_reduced": "Sr2CaUO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-10143",
"created_at": "2022-09-04T14:37:18.498658Z",
"updated_at": "2022-09-04T14:37:18.498687Z",
"structure_string": "Nb4 N4 O4\n1.0\n0.000000 5.040371 -0.007564\n5.101911 0.000000 0.000000\n0.000000 -0.890620 -5.189559\nNb N O\n4 4 4\ndirect\n0.706717 0.547607 0.280478 Nb\n0.293283 0.047607 0.219521 Nb\n0.293283 0.452393 0.719521 Nb\n0.706717 0.952393 0.780479 Nb\n0.557570 0.254885 0.023548 N\n0.442430 0.754884 0.476452 N\n0.442430 0.745115 0.976452 N\n0.557570 0.245115 0.523548 N\n0.937877 0.675983 0.651614 O\n0.062123 0.175983 0.848386 O\n0.062123 0.324017 0.348386 O\n0.937877 0.824017 0.151614 O\n",
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],
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"density": 6.115998899374346,
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"volume": 133.48660009312314,
"volume_molar": 6.698959127788473,
"formula_full": "Nb4 N4 O4",
"formula_reduced": "NbNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.253182049999999,
"spacegroup": 14
}
]
}