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{
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{
"id": "jvasp-9240",
"created_at": "2022-09-04T14:38:13.112491Z",
"updated_at": "2022-09-04T14:38:13.112516Z",
"structure_string": "Mg4 Cu2 N4\n1.0\n4.024093 -0.001012 -0.003934\n-2.010650 5.332325 0.037813\n-2.006530 -1.665019 5.958566\nMg Cu N\n4 2 4\ndirect\n0.854274 0.182523 0.524858 Mg\n0.146225 0.819273 0.472033 Mg\n0.690710 0.646902 0.733391 Mg\n0.309810 0.354927 0.263513 Mg\n0.532390 0.174285 0.889230 Cu\n0.468149 0.827516 0.107662 Cu\n0.419851 0.242787 0.595749 N\n0.580668 0.759032 0.401160 N\n0.716972 0.236027 0.196722 N\n0.283542 0.765784 0.800178 N\n",
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{
"id": "jvasp-25890",
"created_at": "2022-09-04T14:38:07.245649Z",
"updated_at": "2022-09-04T14:38:07.245677Z",
"structure_string": "K8 Pb4 O8\n1.0\n7.371571 -0.006870 0.007132\n-3.634205 -6.571763 -0.031466\n-3.460481 0.874271 -9.281555\nK Pb O\n8 4 8\ndirect\n0.236510 0.728145 0.505876 K\n0.078733 0.071819 0.826728 K\n0.932768 0.450225 0.168141 K\n0.921266 0.928181 0.173272 K\n0.603338 0.568711 0.862415 K\n0.067232 0.549775 0.831860 K\n0.396661 0.431288 0.137586 K\n0.763489 0.271854 0.494124 K\n0.402516 0.939081 0.136964 Pb\n0.706905 0.720139 0.477662 Pb\n0.293095 0.279861 0.522338 Pb\n0.597484 0.060918 0.863036 Pb\n0.499307 0.205105 0.993297 O\n0.813451 0.601134 0.349640 O\n0.944047 0.218373 0.983352 O\n0.500692 0.794895 0.006703 O\n0.055952 0.781627 0.016648 O\n0.186548 0.398865 0.650360 O\n0.662728 0.475271 0.633352 O\n0.337272 0.524729 0.366649 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "K-O-Pb",
"density": 4.68604728844742,
"density_atomic": 0.04445564804782761,
"volume": 449.88659210373,
"volume_molar": 13.546401918426834,
"formula_full": "K8 Pb4 O8",
"formula_reduced": "K2PbO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 2
},
{
"id": "jvasp-16719",
"created_at": "2022-09-04T14:38:07.179502Z",
"updated_at": "2022-09-04T14:38:07.179525Z",
"structure_string": "Y1 Fe2 B2\n1.0\n3.413853 -0.000000 -1.187774\n-0.413260 3.388747 -1.187774\n-0.054840 -0.061934 5.342248\nY Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750001 0.500001 Fe\n0.749999 0.250001 0.500001 Fe\n0.659682 0.659683 0.319365 B\n0.340318 0.340319 0.680637 B\n",
"nsites": 5,
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"elements": [
"Y",
"Fe",
"B"
],
"chemical_system": "B-Fe-Y",
"density": 6.019549080418232,
"density_atomic": 0.08156539154378142,
"volume": 61.30050877419226,
"volume_molar": 7.383205849956017,
"formula_full": "Y1 Fe2 B2",
"formula_reduced": "Y(FeB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.888912323333333,
"spacegroup": 139
},
{
"id": "jvasp-43067",
"created_at": "2022-09-04T14:38:07.043400Z",
"updated_at": "2022-09-04T14:38:07.043423Z",
"structure_string": "Li2 V1 O2\n1.0\n1.588762 -2.751816 -0.000000\n1.588762 2.751816 0.000000\n-0.000000 -0.000000 5.071702\nLi V O\n2 1 2\ndirect\n0.666667 0.333332 0.365353 Li\n0.333332 0.666667 0.634647 Li\n0.000000 0.000000 0.000000 V\n0.666667 0.333332 0.761174 O\n0.333332 0.666667 0.238826 O\n",
"nsites": 5,
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"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.625455125263823,
"density_atomic": 0.11274779204246953,
"volume": 44.34676643704574,
"volume_molar": 5.341249394694662,
"formula_full": "Li2 V1 O2",
"formula_reduced": "Li2VO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87271024,
"spacegroup": 164
},
{
"id": "jvasp-17516",
"created_at": "2022-09-04T14:38:13.453683Z",
"updated_at": "2022-09-04T14:38:13.453708Z",
"structure_string": "Ca1 Mn2 Ge2\n1.0\n3.749777 -0.000000 -1.340478\n-0.479197 3.719032 -1.340478\n0.091313 0.103833 6.170377\nCa Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.249999 0.500000 Mn\n0.249999 0.749999 0.500000 Mn\n0.375866 0.375866 0.751734 Ge\n0.624133 0.624133 0.248266 Ge\n",
"nsites": 5,
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"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Ca-Ge-Mn",
"density": 5.629009259956019,
"density_atomic": 0.05740984402328545,
"volume": 87.09307759087446,
"volume_molar": 10.489735449476955,
"formula_full": "Ca1 Mn2 Ge2",
"formula_reduced": "Ca(MnGe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-18148",
"created_at": "2022-09-04T14:38:13.456907Z",
"updated_at": "2022-09-04T14:38:13.456923Z",
"structure_string": "Dy1 Cu2 Ge2\n1.0\n3.810040 -0.000000 -1.390171\n-0.507232 3.776125 -1.390171\n0.000181 0.000208 5.916668\nDy Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.749999 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.618981 0.618980 0.237961 Ge\n0.381019 0.381019 0.762039 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Cu",
"Ge"
],
"chemical_system": "Cu-Dy-Ge",
"density": 8.482936750298508,
"density_atomic": 0.058736178905664925,
"volume": 85.126409193734,
"volume_molar": 10.252864371160484,
"formula_full": "Dy1 Cu2 Ge2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3633458599999998,
"spacegroup": 139
},
{
"id": "jvasp-18212",
"created_at": "2022-09-04T14:38:13.479861Z",
"updated_at": "2022-09-04T14:38:13.479895Z",
"structure_string": "Nd1 Ge2 Ru2\n1.0\n4.000281 -0.000000 -1.569911\n-0.616112 3.952550 -1.569911\n-0.001148 -0.001342 5.878575\nNd Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.632618 0.632618 0.265235 Ge\n0.367382 0.367383 0.734765 Ge\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Ru"
],
"chemical_system": "Ge-Nd-Ru",
"density": 8.785258418355493,
"density_atomic": 0.05380328643112032,
"volume": 92.93112617574144,
"volume_molar": 11.192886456312708,
"formula_full": "Nd1 Ge2 Ru2",
"formula_reduced": "Nd(GeRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.48111088,
"spacegroup": 139
},
{
"id": "jvasp-17620",
"created_at": "2022-09-04T14:38:13.666954Z",
"updated_at": "2022-09-04T14:38:13.666974Z",
"structure_string": "Np1 Si2 Au2\n1.0\n3.983663 0.000000 -1.528881\n-0.586765 3.940213 -1.528881\n0.011626 0.013485 5.984663\nNp Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.611378 0.611379 0.222759 Si\n0.388621 0.388621 0.777241 Si\n0.750000 0.250000 0.500000 Au\n0.249999 0.750000 0.500000 Au\n",
"nsites": 5,
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"elements": [
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"Au"
],
"chemical_system": "Au-Np-Si",
"density": 12.124697305057119,
"density_atomic": 0.053133600738611494,
"volume": 94.10241223058247,
"volume_molar": 11.333959446162265,
"formula_full": "Np1 Si2 Au2",
"formula_reduced": "Np(SiAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.984152467999999,
"spacegroup": 139
},
{
"id": "jvasp-52097",
"created_at": "2022-09-04T14:38:19.595398Z",
"updated_at": "2022-09-04T14:38:19.595421Z",
"structure_string": "Tb4 Fe2 Si4\n1.0\n4.033647 -0.000000 0.953209\n1.963267 5.285944 0.703236\n0.005625 -0.062907 8.987293\nTb Fe Si\n4 2 4\ndirect\n0.188913 0.728774 0.893400 Tb\n0.811088 0.271225 0.106600 Tb\n0.997865 0.332197 0.672074 Tb\n0.002136 0.667802 0.327926 Tb\n0.726743 0.923456 0.623058 Fe\n0.273257 0.076543 0.376942 Fe\n0.500719 0.126558 0.872003 Si\n0.499282 0.873441 0.127997 Si\n0.340901 0.752104 0.566095 Si\n0.659100 0.247894 0.433906 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Si"
],
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"density": 7.448866302561525,
"density_atomic": 0.052176781071839554,
"volume": 191.6561312249506,
"volume_molar": 11.541801997536837,
"formula_full": "Tb4 Fe2 Si4",
"formula_reduced": "Tb2FeSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5379219,
"spacegroup": 12
},
{
"id": "jvasp-18058",
"created_at": "2022-09-04T14:38:13.750744Z",
"updated_at": "2022-09-04T14:38:13.750769Z",
"structure_string": "Yb1 Ge2 Ru2\n1.0\n3.965691 -0.000000 -1.568104\n-0.620055 3.916917 -1.568104\n-0.005004 -0.005858 5.785958\nYb Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.630454 0.630455 0.260909 Ge\n0.369546 0.369546 0.739092 Ge\n0.750000 0.250000 0.500001 Ru\n0.250000 0.750000 0.500001 Ru\n",
"nsites": 5,
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"elements": [
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],
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"density": 9.623878989334578,
"density_atomic": 0.05567800979038527,
"volume": 89.80206043326324,
"volume_molar": 10.816012969342758,
"formula_full": "Yb1 Ge2 Ru2",
"formula_reduced": "Yb(GeRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.97460472,
"spacegroup": 139
},
{
"id": "jvasp-17786",
"created_at": "2022-09-04T14:38:13.797400Z",
"updated_at": "2022-09-04T14:38:13.797421Z",
"structure_string": "Y1 Mn2 Ge2\n1.0\n3.716219 -0.000000 -1.280573\n-0.441273 3.689928 -1.280573\n0.021536 0.024265 6.095012\nY Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250001 0.750000 0.500001 Mn\n0.750001 0.250000 0.500000 Mn\n0.619819 0.619818 0.239638 Ge\n0.380183 0.380181 0.760363 Ge\n",
"nsites": 5,
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],
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"density": 6.817004204790629,
"density_atomic": 0.059659256262038246,
"volume": 83.80929152114737,
"volume_molar": 10.09422701072448,
"formula_full": "Y1 Mn2 Ge2",
"formula_reduced": "Y(MnGe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-17923",
"created_at": "2022-09-04T14:38:13.815414Z",
"updated_at": "2022-09-04T14:38:13.815441Z",
"structure_string": "Ce1 Ni2 As2\n1.0\n3.780332 0.000000 -1.443259\n-0.551009 3.739961 -1.443259\n0.087368 0.101182 5.901388\nCe Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.631015 0.631015 0.262030 As\n0.368985 0.368984 0.737970 As\n",
"nsites": 5,
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"elements": [
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],
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"density": 8.00114318639941,
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"volume": 84.53966275382157,
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"formula_full": "Ce1 Ni2 As2",
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"formula_anonymous": "AB2C2",
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}
]
}