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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=555",
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"results": [
{
"id": "jvasp-97624",
"created_at": "2022-09-04T14:35:48.758808Z",
"updated_at": "2022-09-04T14:35:48.758827Z",
"structure_string": "Mg18 Si10\n1.0\n7.146364 0.000000 -0.000000\n-3.573182 6.188933 -0.000000\n0.000000 0.000000 12.284887\nMg Si\n18 10\ndirect\n0.321800 0.916849 0.583549 Mg\n0.275236 0.928535 0.250000 Mg\n0.724764 0.071465 0.750000 Mg\n0.928535 0.653299 0.750000 Mg\n0.653299 0.724764 0.250000 Mg\n0.595049 0.678200 0.916452 Mg\n0.916849 0.595049 0.416452 Mg\n0.678200 0.083151 0.416452 Mg\n0.321800 0.916849 0.916452 Mg\n0.083151 0.404950 0.916452 Mg\n0.404950 0.321800 0.416452 Mg\n0.404950 0.321800 0.083548 Mg\n0.083151 0.404950 0.583549 Mg\n0.346700 0.275236 0.750000 Mg\n0.678200 0.083151 0.083548 Mg\n0.916849 0.595049 0.083548 Mg\n0.595049 0.678200 0.583549 Mg\n0.071465 0.346700 0.250000 Mg\n0.333333 0.666667 0.412771 Si\n0.666667 0.333333 0.912772 Si\n0.666667 0.333333 0.587229 Si\n0.333333 0.666667 0.087229 Si\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.000000 0.000000 0.102145 Si\n0.000000 0.000000 0.602145 Si\n0.000000 0.000000 0.897856 Si\n0.000000 0.000000 0.397856 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1953819553805105,
"density_atomic": 0.051533062321219104,
"volume": 543.3405029468005,
"volume_molar": 11.685974961981527,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy_above_hull": 0.9932065673469388,
"spacegroup": 176
},
{
"id": "jvasp-98811",
"created_at": "2022-09-04T14:35:51.481309Z",
"updated_at": "2022-09-04T14:35:51.481326Z",
"structure_string": "Mg10 Si12\n1.0\n14.240157 0.000000 -5.311450\n0.000000 4.070807 0.000000\n-0.001853 0.000000 6.938149\nMg Si\n10 12\ndirect\n0.000000 0.000000 -0.000001 Mg\n0.500000 0.500000 0.000001 Mg\n0.344807 0.000000 0.064611 Mg\n0.655194 0.000000 0.935391 Mg\n0.844806 0.500000 0.064609 Mg\n0.155194 0.500000 0.935389 Mg\n0.424465 0.000000 0.631857 Mg\n0.575536 0.000000 0.368146 Mg\n0.924465 0.500000 0.631855 Mg\n0.075535 0.500000 0.368143 Mg\n0.792436 0.000000 0.368527 Si\n0.207565 0.000000 0.631472 Si\n0.308207 0.500000 0.742675 Si\n0.691794 0.500000 0.257326 Si\n0.808207 0.000000 0.742675 Si\n0.057773 0.000000 0.671225 Si\n0.442227 0.500000 0.328775 Si\n0.557773 0.500000 0.671227 Si\n0.942227 0.000000 0.328774 Si\n0.707565 0.500000 0.631474 Si\n0.191794 0.000000 0.257325 Si\n0.292436 0.500000 0.368528 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.395181052056545,
"density_atomic": 0.05470500138178264,
"volume": 402.1570138800186,
"volume_molar": 11.008391569121573,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy_above_hull": 1.814884132467532,
"spacegroup": 12
},
{
"id": "jvasp-35355",
"created_at": "2022-09-04T14:37:36.371833Z",
"updated_at": "2022-09-04T14:37:36.371850Z",
"structure_string": "Mg2 Si4\n1.0\n-3.917375 -0.000000 0.000000\n-1.958688 -3.269251 4.090656\n-1.958688 3.269251 4.090656\nMg Si\n2 4\ndirect\n0.416848 0.333153 0.833152 Mg\n0.583151 0.666848 0.166848 Mg\n0.853309 0.088410 0.204972 Si\n0.146690 0.911591 0.795029 Si\n0.853309 0.704973 0.588410 Si\n0.146690 0.295028 0.411591 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5508158525700613,
"density_atomic": 0.05726442214694399,
"volume": 104.7770985028651,
"volume_molar": 10.516373926810648,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8117353238095235,
"spacegroup": 74
},
{
"id": "jvasp-91892",
"created_at": "2022-09-04T14:37:40.677322Z",
"updated_at": "2022-09-04T14:37:40.677336Z",
"structure_string": "Mg7 Si1\n1.0\n6.227290 0.000000 -0.000000\n-3.113645 5.392991 0.000000\n0.000000 -0.000000 5.065663\nMg Si\n7 1\ndirect\n0.165304 0.832651 0.250000 Mg\n0.667348 0.334695 0.250000 Mg\n0.667348 0.832651 0.250000 Mg\n0.330694 0.169306 0.750000 Mg\n0.330693 0.661388 0.750000 Mg\n0.838612 0.169306 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 1.934784430452285,
"density_atomic": 0.047024577919908855,
"volume": 170.1238023576822,
"volume_molar": 12.806368555304777,
"formula_full": "Mg7 Si1",
"formula_reduced": "Mg7Si",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-93761",
"created_at": "2022-09-04T14:36:30.467323Z",
"updated_at": "2022-09-04T14:36:30.467351Z",
"structure_string": "Mg4 Si2\n1.0\n4.626774 0.130628 0.000000\n-2.433566 3.940520 0.000000\n0.000000 0.000000 6.125686\nMg Si\n4 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.333073 0.666610 0.750000 Mg\n0.666925 0.333391 0.250000 Mg\n0.333844 0.666692 0.250000 Si\n0.666154 0.333309 0.750000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.241585505717433,
"density_atomic": 0.05280287674897947,
"volume": 113.63017262342555,
"volume_molar": 11.404948235356118,
"formula_full": "Mg4 Si2",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7290820476190475,
"spacegroup": 194
},
{
"id": "jvasp-56565",
"created_at": "2022-09-04T14:38:13.472735Z",
"updated_at": "2022-09-04T14:38:13.472750Z",
"structure_string": "Mg4 Si2\n1.0\n4.861398 0.000000 2.806729\n1.620467 4.583370 2.806729\n0.000000 0.000000 5.613457\nMg Si\n4 2\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.875001 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0364440386990297,
"density_atomic": 0.04797055624572446,
"volume": 125.07672350651073,
"volume_molar": 12.55382724593014,
"formula_full": "Mg4 Si2",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8627620476190475,
"spacegroup": 227
},
{
"id": "jvasp-112388",
"created_at": "2022-09-04T14:38:39.661694Z",
"updated_at": "2022-09-04T14:38:39.661719Z",
"structure_string": "Mg8 Si6\n1.0\n5.627553 0.136823 -1.475139\n-0.833267 7.688746 -4.060503\n0.013172 0.269036 6.373993\nMg Si\n8 6\ndirect\n0.295792 0.734703 0.573669 Mg\n0.116914 0.167337 0.874179 Mg\n0.304963 0.690296 0.044010 Mg\n0.353155 0.396873 0.566521 Mg\n0.840751 0.530231 0.546279 Mg\n0.621034 0.110064 -0.000157 Mg\n0.808431 0.487479 0.039315 Mg\n0.787503 0.850970 0.421995 Mg\n-0.030676 0.187484 0.416283 Si\n0.680785 0.187398 0.629423 Si\n0.703433 0.757590 0.927595 Si\n0.407029 0.440875 0.183684 Si\n0.311485 0.004063 0.469128 Si\n0.049354 0.954550 0.058144 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.128603123254994,
"density_atomic": 0.04944509809475585,
"volume": 283.1423243042335,
"volume_molar": 12.179449514811878,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.2467558408163262,
"spacegroup": 1
},
{
"id": "jvasp-111603",
"created_at": "2022-09-04T14:38:37.094854Z",
"updated_at": "2022-09-04T14:38:37.094876Z",
"structure_string": "Mg8 Si4\n1.0\n4.204488 -0.000000 0.000000\n-0.000000 7.053916 0.000000\n0.000000 0.000000 8.040913\nMg Si\n8 4\ndirect\n0.250000 0.032577 0.836075 Mg\n0.250000 0.532578 0.663925 Mg\n0.750000 0.967423 0.163925 Mg\n0.750000 0.467423 0.336075 Mg\n0.250000 0.139019 0.439146 Mg\n0.250000 0.639019 0.060854 Mg\n0.750000 0.860981 0.560853 Mg\n0.750000 0.360981 0.939146 Mg\n0.250000 0.253301 0.125792 Si\n0.250000 0.753301 0.374208 Si\n0.750000 0.746700 0.874208 Si\n0.750000 0.246700 0.625791 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.136142436076543,
"density_atomic": 0.05031905563393349,
"volume": 238.47824345708906,
"volume_molar": 11.967912919134495,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6879487142857141,
"spacegroup": 62
},
{
"id": "jvasp-79660",
"created_at": "2022-09-04T14:37:14.289158Z",
"updated_at": "2022-09-04T14:37:14.289167Z",
"structure_string": "Mg2 Si2\n1.0\n3.947321 0.000000 -0.000000\n0.000000 4.241953 -0.000000\n0.000000 -0.000000 4.241953\nMg Si\n2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4496130481215372,
"density_atomic": 0.056315227334797324,
"volume": 71.0287463854095,
"volume_molar": 10.693627718481933,
"formula_full": "Mg2 Si2",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.0483286857142853,
"spacegroup": 123
},
{
"id": "jvasp-117105",
"created_at": "2022-09-04T14:38:48.594982Z",
"updated_at": "2022-09-04T14:38:48.595014Z",
"structure_string": "Mg6 Si6\n1.0\n6.066636 0.651597 0.786882\n4.432636 4.192898 0.786882\n0.248535 0.114677 10.155927\nMg Si\n6 6\ndirect\n0.071803 0.071803 0.867890 Mg\n0.928198 0.928199 0.132110 Mg\n0.496176 0.496176 0.350169 Mg\n0.503825 0.503825 0.649830 Mg\n0.215083 0.215084 0.148957 Mg\n0.784917 0.784918 0.851043 Mg\n0.215410 0.215410 0.642819 Si\n0.150288 0.150288 0.424482 Si\n0.411968 0.411968 0.942930 Si\n0.588033 0.588034 0.057070 Si\n0.784591 0.784592 0.357181 Si\n0.849713 0.849713 0.575517 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2877669277592183,
"density_atomic": 0.05259447598247732,
"volume": 228.16084343150388,
"volume_molar": 11.45013929220698,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.0082586857142852,
"spacegroup": 12
},
{
"id": "jvasp-107395",
"created_at": "2022-09-04T14:38:44.952550Z",
"updated_at": "2022-09-04T14:38:44.952578Z",
"structure_string": "Mg2 Si4\n1.0\n4.629184 0.031471 2.936454\n3.152297 3.390186 2.936454\n-0.038647 -0.016994 6.957479\nMg Si\n2 4\ndirect\n0.576607 0.576609 0.635834 Mg\n0.423391 0.423393 0.364165 Mg\n0.196520 0.196521 0.263131 Si\n0.803478 0.803481 0.736868 Si\n0.128961 0.128964 0.957485 Si\n0.871036 0.871038 0.042514 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4530293292065384,
"density_atomic": 0.055069168127125645,
"volume": 108.95388842898747,
"volume_molar": 10.935594207811631,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7959219904761898,
"spacegroup": 12
},
{
"id": "jvasp-99668",
"created_at": "2022-09-04T14:36:32.796401Z",
"updated_at": "2022-09-04T14:36:32.796420Z",
"structure_string": "Mg3 Si2\n1.0\n4.833251 0.003889 1.922640\n-1.476369 4.602246 1.922640\n-0.040061 -0.054970 4.338031\nMg Si\n3 2\ndirect\n0.706680 0.293320 0.500000 Mg\n0.293320 0.706681 0.499999 Mg\n0.000000 0.000000 0.000000 Mg\n0.705966 0.705967 0.768443 Si\n0.294034 0.294034 0.231556 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.19757790456115,
"density_atomic": 0.051260878317193656,
"volume": 97.54027172653664,
"volume_molar": 11.748024922117038,
"formula_full": "Mg3 Si2",
"formula_reduced": "Mg3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0633907028571428,
"spacegroup": 12
}
]
}