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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4065",
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"results": [
{
"id": "jvasp-120349",
"created_at": "2022-09-04T14:38:48.236160Z",
"updated_at": "2022-09-04T14:38:48.236188Z",
"structure_string": "Na2 Zn2 Se2\n1.0\n4.897806 0.000000 0.000000\n-0.000000 4.897806 0.000000\n0.000000 0.000000 6.082682\nNa Zn Se\n2 2 2\ndirect\n0.000000 0.500000 0.169966 Na\n0.500000 0.000000 0.830033 Na\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.695163 Se\n0.500000 0.000000 0.304836 Se\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Na-Se-Zn",
"density": 3.8091607132241134,
"density_atomic": 0.04111998809344663,
"volume": 145.91443913759866,
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"formula_full": "Na2 Zn2 Se2",
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"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-120351",
"created_at": "2022-09-04T14:38:51.636045Z",
"updated_at": "2022-09-04T14:38:51.636074Z",
"structure_string": "Na1 Zn1 Se2\n1.0\n1.862487 1.075308 7.235890\n-1.862487 1.075308 7.235890\n0.000000 -2.150615 7.235890\nNa Zn Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Zn\n0.737586 0.737586 0.737586 Se\n0.262414 0.262414 0.262414 Se\n",
"nsites": 4,
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"density": 4.704109306742693,
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"volume": 86.94992240932737,
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"formula_full": "Na1 Zn1 Se2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-120352",
"created_at": "2022-09-04T14:38:51.667672Z",
"updated_at": "2022-09-04T14:38:51.667682Z",
"structure_string": "Na1 Zn1 Se1\n1.0\n5.771364 0.996334 0.000000\n-2.083461 3.554010 0.000000\n0.000000 0.000000 4.156579\nNa Zn Se\n1 1 1\ndirect\n0.325960 -0.003689 0.000000 Na\n0.718670 0.692718 0.000000 Zn\n0.955368 0.310970 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Zn",
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],
"chemical_system": "Na-Se-Zn",
"density": 2.9600363898211532,
"density_atomic": 0.03195366913321762,
"volume": 93.88593176867231,
"volume_molar": 18.846476549823343,
"formula_full": "Na1 Zn1 Se1",
"formula_reduced": "NaZnSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.07173,
"spacegroup": 38
},
{
"id": "jvasp-35262",
"created_at": "2022-09-04T14:37:56.414177Z",
"updated_at": "2022-09-04T14:37:56.414209Z",
"structure_string": "Na4 Zn6 Se8\n1.0\n2.879108 -5.537092 -0.000000\n5.923907 -0.436827 6.770859\n-3.044802 -5.100263 6.770859\nNa Zn Se\n4 6 8\ndirect\n0.741121 0.623369 0.376631 Na\n0.258879 0.376632 0.623368 Na\n0.758879 0.123369 0.876631 Na\n0.241121 0.876632 0.123368 Na\n0.750000 0.461272 0.038728 Zn\n0.250000 0.538729 0.961271 Zn\n0.750000 0.038729 0.461271 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750001 0.750000 Zn\n0.250000 0.961272 0.538728 Zn\n0.094599 0.766326 0.506116 Se\n0.594598 0.006116 0.266325 Se\n0.132960 0.266325 0.006116 Se\n0.905402 0.233675 0.493883 Se\n0.367040 0.493884 0.233675 Se\n0.405402 0.993884 0.733675 Se\n0.867040 0.733676 0.993883 Se\n0.632960 0.506117 0.766325 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Zn",
"Se"
],
"chemical_system": "Na-Se-Zn",
"density": 4.338755316122247,
"density_atomic": 0.042139381030845684,
"volume": 427.15387743413095,
"volume_molar": 14.29100431160069,
"formula_full": "Na4 Zn6 Se8",
"formula_reduced": "Na2Zn3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.1189785703703705,
"spacegroup": 72
},
{
"id": "jvasp-35261",
"created_at": "2022-09-04T14:38:04.922540Z",
"updated_at": "2022-09-04T14:38:04.922554Z",
"structure_string": "Na8 Zn8 Se12\n1.0\n-0.017196 0.017032 7.051452\n-0.018851 9.691575 3.460184\n-9.691309 -0.074382 3.460184\nNa Zn Se\n8 8 12\ndirect\n0.749999 0.569001 0.431000 Na\n0.249999 0.431000 0.569001 Na\n0.749999 0.281371 0.718629 Na\n0.249999 0.718629 0.281371 Na\n0.646280 0.975352 0.806889 Na\n0.853718 0.193111 0.024649 Na\n0.353718 0.024649 0.193112 Na\n0.146280 0.806889 0.975351 Na\n0.261074 0.083055 0.549185 Zn\n0.238925 0.450815 0.916945 Zn\n0.761074 0.549185 0.083055 Zn\n0.738924 0.916945 0.450815 Zn\n0.201646 0.792717 0.637047 Zn\n0.701645 0.637047 0.792717 Zn\n0.798353 0.207283 0.362954 Zn\n0.298353 0.362953 0.207283 Zn\n0.441597 0.227590 0.991809 Se\n0.568683 0.424118 0.276554 Se\n0.931315 0.723446 0.575882 Se\n0.431316 0.575882 0.723446 Se\n0.068683 0.276554 0.424118 Se\n0.552793 0.147835 0.583805 Se\n0.947205 0.416195 0.852165 Se\n0.447205 0.852165 0.416195 Se\n0.052793 0.583805 0.147835 Se\n0.558402 0.772410 0.008191 Se\n0.941597 0.991809 0.227591 Se\n0.058402 0.008191 0.772410 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
"chemical_system": "Na-Se-Zn",
"density": 4.155895971582138,
"density_atomic": 0.042349829856335015,
"volume": 661.1596810420607,
"volume_molar": 14.219988085971405,
"formula_full": "Na8 Zn8 Se12",
"formula_reduced": "Na2Zn2Se3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.170530480952381,
"spacegroup": 15
},
{
"id": "jvasp-35260",
"created_at": "2022-09-04T14:37:56.260552Z",
"updated_at": "2022-09-04T14:37:56.260578Z",
"structure_string": "Na12 Zn2 Se8\n1.0\n4.659978 -8.071319 -0.000000\n4.659978 8.071319 0.000000\n0.000000 -0.000000 7.151166\nNa Zn Se\n12 2 8\ndirect\n0.296769 0.148385 0.039452 Na\n0.528546 0.057092 0.365772 Na\n0.942908 0.471454 0.365772 Na\n0.471454 0.942908 0.865772 Na\n0.471454 0.528546 0.865772 Na\n0.057092 0.528546 0.865772 Na\n0.528546 0.471454 0.365772 Na\n0.148385 0.851616 0.539453 Na\n0.703231 0.851616 0.539453 Na\n0.851616 0.703231 0.039452 Na\n0.851616 0.148385 0.039452 Na\n0.148385 0.296769 0.539453 Na\n0.666667 0.333333 0.747821 Zn\n0.333333 0.666667 0.247821 Zn\n0.186215 0.813785 0.139049 Se\n0.666667 0.333333 0.098849 Se\n0.333333 0.666667 0.598849 Se\n0.372430 0.186215 0.639049 Se\n0.813785 0.186215 0.639049 Se\n0.813785 0.627570 0.639049 Se\n0.627570 0.813785 0.139049 Se\n0.186215 0.372430 0.139049 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Se"
],
"chemical_system": "Na-Se-Zn",
"density": 3.205296313993981,
"density_atomic": 0.04089662292492663,
"volume": 537.941727863083,
"volume_molar": 14.725276390314091,
"formula_full": "Na12 Zn2 Se8",
"formula_reduced": "Na6ZnSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-10101",
"created_at": "2022-09-04T14:37:50.485624Z",
"updated_at": "2022-09-04T14:37:50.485645Z",
"structure_string": "Na4 Zr2 Se6\n1.0\n6.584264 -0.000000 2.238597\n3.292132 6.031461 1.119299\n0.013231 -0.000000 7.236977\nNa Zr Se\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500001 Na\n0.157470 0.685058 0.500001 Na\n0.842529 0.314942 0.500001 Na\n0.668667 0.662664 0.000001 Zr\n0.331332 0.337336 0.000000 Zr\n0.434796 0.641516 0.773290 Se\n0.282440 0.000000 0.224639 Se\n0.565203 0.358484 0.226712 Se\n0.923686 0.641516 0.226712 Se\n0.076313 0.358484 0.773289 Se\n0.717559 0.000000 0.775363 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Zr",
"Se"
],
"chemical_system": "Na-Se-Zr",
"density": 4.325444815928597,
"density_atomic": 0.041779605123081015,
"volume": 287.22147958671434,
"volume_molar": 14.414068161388837,
"formula_full": "Na4 Zr2 Se6",
"formula_reduced": "Na2ZrSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0754671000000005,
"spacegroup": 12
},
{
"id": "jvasp-106869",
"created_at": "2022-09-04T14:37:50.950384Z",
"updated_at": "2022-09-04T14:37:50.950410Z",
"structure_string": "Na1 Si6\n1.0\n7.162077 0.000000 0.000000\n-3.581039 6.202541 0.000000\n-0.000000 0.000000 2.566666\nNa Si\n1 6\ndirect\n0.000000 0.000000 0.500001 Na\n0.146128 0.705585 -0.000000 Si\n0.294415 0.440543 -0.000000 Si\n0.559457 0.853871 -0.000000 Si\n0.853872 0.294415 -0.000000 Si\n0.705585 0.559457 -0.000000 Si\n0.440543 0.146128 -0.000000 Si\n",
"nsites": 7,
"nelements": 2,
"elements": [
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"Si"
],
"chemical_system": "Na-Si",
"density": 2.788984937975111,
"density_atomic": 0.06139316919577837,
"volume": 114.01919939460214,
"volume_molar": 9.809138115668583,
"formula_full": "Na1 Si6",
"formula_reduced": "NaSi6",
"formula_anonymous": "AB6",
"energy_above_hull": 2.9961943714285706,
"spacegroup": 175
},
{
"id": "jvasp-100212",
"created_at": "2022-09-04T14:36:19.683395Z",
"updated_at": "2022-09-04T14:36:19.683422Z",
"structure_string": "Na3 Si1\n1.0\n4.467222 -0.000000 2.579153\n1.489074 4.211738 2.579153\n-0.000000 -0.000000 5.158304\nNa Si\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750000 0.749999 Na\n0.499999 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 1.6605820367438882,
"density_atomic": 0.04121489288296164,
"volume": 97.05229639584026,
"volume_molar": 14.611564749424769,
"formula_full": "Na3 Si1",
"formula_reduced": "Na3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2752913999999999,
"spacegroup": 225
},
{
"id": "jvasp-118806",
"created_at": "2022-09-04T14:38:49.263726Z",
"updated_at": "2022-09-04T14:38:49.263756Z",
"structure_string": "Na1 Si1\n1.0\n2.690594 0.000000 -0.000000\n0.000000 2.690594 -0.000000\n0.000000 -0.000000 5.828801\nNa Si\n1 1\ndirect\n0.000000 0.000000 -0.123657 Na\n0.000000 0.000000 0.376346 Si\n",
"nsites": 2,
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"elements": [
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],
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"density": 2.0099451004889533,
"density_atomic": 0.04739739012571199,
"volume": 42.19641618864255,
"volume_molar": 12.705637892777409,
"formula_full": "Na1 Si1",
"formula_reduced": "NaSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.0614637999999998,
"spacegroup": 123
},
{
"id": "jvasp-118805",
"created_at": "2022-09-04T14:38:53.000134Z",
"updated_at": "2022-09-04T14:38:53.000159Z",
"structure_string": "Na2 Si2\n1.0\n5.929013 0.436533 -0.993788\n-1.463838 -5.628610 -0.203642\n1.935474 -0.384900 -3.259604\nNa Si\n2 2\ndirect\n0.143849 0.183448 -0.096491 Na\n0.844964 0.587130 0.702817 Na\n0.557241 0.012626 -0.009747 Si\n0.431655 0.757999 0.616041 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 1.7916772670904462,
"density_atomic": 0.0422503213580296,
"volume": 94.67383611367035,
"volume_molar": 14.253479184142355,
"formula_full": "Na2 Si2",
"formula_reduced": "NaSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.7912387999999999,
"spacegroup": 63
},
{
"id": "jvasp-9121",
"created_at": "2022-09-04T14:38:10.214889Z",
"updated_at": "2022-09-04T14:38:10.214916Z",
"structure_string": "Na8 Si8\n1.0\n6.112129 -0.000000 2.047175\n2.898544 6.006412 1.493886\n-0.063366 0.097086 10.337083\nNa Si\n8 8\ndirect\n0.727394 0.181159 0.547330 Na\n0.455883 0.318841 0.952669 Na\n0.272604 0.818841 0.452670 Na\n0.544115 0.681159 0.047330 Na\n0.970709 0.854148 0.856241 Na\n0.681100 0.645852 0.643758 Na\n0.029289 0.145852 0.143758 Na\n0.318899 0.354148 0.356242 Na\n0.948870 0.333811 0.859178 Si\n0.141860 0.166190 0.640821 Si\n0.051129 0.666190 0.140821 Si\n0.858139 0.833810 0.359179 Si\n0.239411 0.443451 0.688948 Si\n0.371810 0.056550 0.811052 Si\n0.760588 0.556550 0.311052 Si\n0.628189 0.943450 0.188948 Si\n",
"nsites": 16,
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"elements": [
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"density": 1.7856978623247235,
"density_atomic": 0.042109318412062786,
"volume": 379.9634048556954,
"volume_molar": 14.301206923061656,
"formula_full": "Na8 Si8",
"formula_reduced": "NaSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.7845987999999999,
"spacegroup": 15
}
]
}