HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3423",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3421",
"results": [
{
"id": "jvasp-57868",
"created_at": "2022-09-04T14:37:00.461897Z",
"updated_at": "2022-09-04T14:37:00.461927Z",
"structure_string": "Cr4 Sn8\n1.0\n5.208717 -0.000000 1.530565\n2.604359 4.679320 0.765283\n0.006316 -0.000000 9.606770\nCr Sn\n4 8\ndirect\n0.251715 0.750000 0.496572 Cr\n0.998286 0.750000 0.003428 Cr\n0.748286 0.250000 0.503428 Cr\n0.001715 0.250000 0.996572 Cr\n0.543680 0.750000 0.912641 Sn\n0.706322 0.750000 0.587359 Sn\n0.456321 0.250000 0.087359 Sn\n0.293680 0.250000 0.412641 Sn\n0.290003 0.419997 0.750000 Sn\n0.959999 0.080003 0.750000 Sn\n0.709999 0.580003 0.250000 Sn\n0.040003 0.919997 0.250000 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"Sn"
],
"chemical_system": "Cr-Sn",
"density": 8.211543244381822,
"density_atomic": 0.0512594869030268,
"volume": 234.1030065849414,
"volume_molar": 11.748343816614367,
"formula_full": "Cr4 Sn8",
"formula_reduced": "CrSn2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7240736,
"spacegroup": 70
},
{
"id": "jvasp-24653",
"created_at": "2022-09-04T14:37:07.810964Z",
"updated_at": "2022-09-04T14:37:07.810985Z",
"structure_string": "Al2 Cu2 Cl8\n1.0\n5.312741 -0.000000 0.000000\n0.000000 5.312741 0.000000\n-0.000000 -0.000000 10.190435\nAl Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.250000 Al\n0.000000 0.500000 0.750000 Al\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.755225 0.269055 0.870499 Cl\n0.244775 0.730945 0.870499 Cl\n0.730945 0.244775 0.370499 Cl\n0.244775 0.269055 0.629502 Cl\n0.755225 0.730945 0.629502 Cl\n0.269055 0.244775 0.129501 Cl\n0.730945 0.755225 0.129501 Cl\n0.269055 0.755225 0.370499 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Cl"
],
"chemical_system": "Al-Cl-Cu",
"density": 2.682700585311199,
"density_atomic": 0.04172066617143947,
"volume": 287.6272385174613,
"volume_molar": 14.434430973018712,
"formula_full": "Al2 Cu2 Cl8",
"formula_reduced": "AlCuCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1017132533333333,
"spacegroup": 112
},
{
"id": "jvasp-53021",
"created_at": "2022-09-04T14:37:08.217882Z",
"updated_at": "2022-09-04T14:37:08.217910Z",
"structure_string": "Mo4 O8\n1.0\n5.045905 0.000749 2.907100\n1.685874 4.752550 -2.912642\n-5.051234 -0.000000 2.916331\nMo O\n4 8\ndirect\n0.500000 0.500001 0.000002 Mo\n0.000001 0.000000 0.500000 Mo\n0.000002 0.500001 0.000001 Mo\n0.000000 0.500001 0.500001 Mo\n0.750678 0.749321 0.002009 O\n0.247223 0.748448 0.497836 O\n0.249321 0.250679 -0.002008 O\n0.248449 0.747223 -0.002164 O\n0.752777 0.251552 0.502165 O\n0.249321 0.250679 0.502008 O\n0.751553 0.252776 0.002165 O\n0.750681 0.749321 0.497994 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 6.081559393294054,
"density_atomic": 0.08587857644289333,
"volume": 139.7321718296022,
"volume_molar": 7.012390062153093,
"formula_full": "Mo4 O8",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6200143,
"spacegroup": 227
},
{
"id": "jvasp-28773",
"created_at": "2022-09-04T14:37:10.202841Z",
"updated_at": "2022-09-04T14:37:10.202862Z",
"structure_string": "Mo4 Se4 S4\n1.0\n3.257834 -0.000124 0.009504\n-1.628847 2.821421 -0.001843\n-0.075753 -0.025630 25.666487\nMo Se S\n4 4 4\ndirect\n0.333993 0.666991 0.005291 Mo\n0.332695 0.666399 0.496050 Mo\n0.667950 0.334058 0.246169 Mo\n0.665364 0.332556 0.755406 Mo\n0.332051 0.665863 0.821559 Se\n0.666031 0.333094 0.429897 Se\n0.666009 0.333035 0.562225 Se\n0.332019 0.665917 0.689232 Se\n0.334626 0.667373 0.306416 S\n0.667294 0.333664 -0.054957 S\n0.667342 0.333645 0.065509 S\n0.334621 0.667412 0.185951 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se",
"density": 5.8270410419162895,
"density_atomic": 0.050865500998976285,
"volume": 235.9162844034803,
"volume_molar": 11.839342268782925,
"formula_full": "Mo4 Se4 S4",
"formula_reduced": "MoSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4768230888888887,
"spacegroup": 164
},
{
"id": "jvasp-9147",
"created_at": "2022-09-04T14:37:10.215220Z",
"updated_at": "2022-09-04T14:37:10.215243Z",
"structure_string": "Hf4 O8\n1.0\n0.000000 5.117401 -0.012958\n5.192762 0.000000 0.000000\n0.000000 -0.877468 -5.222730\nHf O\n4 8\ndirect\n0.723500 0.541668 0.291936 Hf\n0.276499 0.041668 0.208064 Hf\n0.276499 0.458331 0.708064 Hf\n0.723500 0.958331 0.791936 Hf\n0.553006 0.258059 0.020437 O\n0.446993 0.758059 0.479564 O\n0.446993 0.741940 0.979564 O\n0.553006 0.241940 0.520436 O\n0.928672 0.663859 0.658334 O\n0.071328 0.163859 0.841666 O\n0.071328 0.336141 0.341666 O\n0.928672 0.836141 0.158334 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"O"
],
"chemical_system": "Hf-O",
"density": 10.069500285386184,
"density_atomic": 0.08642732742418358,
"volume": 138.844973663298,
"volume_molar": 6.9678664601572775,
"formula_full": "Hf4 O8",
"formula_reduced": "HfO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7775599999999998,
"spacegroup": 14
},
{
"id": "jvasp-103764",
"created_at": "2022-09-04T14:37:01.020292Z",
"updated_at": "2022-09-04T14:37:01.020319Z",
"structure_string": "H6 C4 F2\n1.0\n5.094879 0.000000 -0.692515\n0.000000 2.558617 0.000000\n0.007085 0.000000 6.861460\nH C F\n6 4 2\ndirect\n0.152687 0.000000 0.487621 H\n0.448949 0.500001 0.288903 H\n0.198650 0.500001 0.085154 H\n0.652731 0.500001 -0.012444 H\n0.948717 0.000000 0.788635 H\n0.698224 0.000000 0.585011 H\n0.126159 0.000000 0.326246 C\n0.234498 0.500001 0.247089 C\n0.626017 0.500001 0.826178 C\n0.734247 0.000000 0.746942 C\n0.844202 0.000000 0.268695 F\n0.344024 0.500001 0.768807 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"C",
"F"
],
"chemical_system": "C-F-H",
"density": 1.709353727037275,
"density_atomic": 0.13414194680152533,
"volume": 89.45747609996329,
"volume_molar": 4.489379275902623,
"formula_full": "H6 C4 F2",
"formula_reduced": "H3C2F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.5506500470833333,
"spacegroup": 8
},
{
"id": "jvasp-10551",
"created_at": "2022-09-04T14:37:08.500834Z",
"updated_at": "2022-09-04T14:37:08.500857Z",
"structure_string": "Rb6 B2 P4\n1.0\n6.396238 0.009430 1.674200\n-0.202910 6.393025 1.674200\n0.007560 0.007816 9.402135\nRb B P\n6 2 4\ndirect\n0.244515 0.345088 0.983141 Rb\n0.654913 0.755485 0.516858 Rb\n0.755486 0.654912 0.016858 Rb\n0.345087 0.244515 0.483142 Rb\n0.843788 0.156213 0.749999 Rb\n0.156212 0.843787 0.250000 Rb\n0.784104 0.215896 0.250000 B\n0.215896 0.784104 0.750000 B\n0.903610 0.342738 0.354690 P\n0.657262 0.096390 0.145309 P\n0.342738 0.903610 0.854690 P\n0.096390 0.657262 0.645309 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"B",
"P"
],
"chemical_system": "B-P-Rb",
"density": 2.8444592027441655,
"density_atomic": 0.03122426829220214,
"volume": 384.3164517964652,
"volume_molar": 19.286731409183904,
"formula_full": "Rb6 B2 P4",
"formula_reduced": "Rb3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3241022638888889,
"spacegroup": 15
},
{
"id": "jvasp-29123",
"created_at": "2022-09-04T14:37:09.171999Z",
"updated_at": "2022-09-04T14:37:09.172008Z",
"structure_string": "Te4 Mo4 Se4\n1.0\n3.444453 -0.000000 -0.000001\n-1.722227 2.982974 -0.000010\n-0.000010 -0.000140 35.655793\nTe Mo Se\n4 4 4\ndirect\n0.333348 0.666688 0.710749 Te\n0.666650 0.333311 0.040709 Te\n0.666652 0.333314 0.144937 Te\n0.333346 0.666685 0.606521 Te\n0.333316 0.666643 0.092778 Mo\n0.333355 0.666716 0.466461 Mo\n0.666642 0.333283 0.284997 Mo\n0.666681 0.333356 0.658680 Mo\n0.333316 0.666629 0.330855 Se\n0.666682 0.333368 0.420603 Se\n0.666690 0.333383 0.512354 Se\n0.333308 0.666615 0.239104 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Te",
"density": 5.484469641712731,
"density_atomic": 0.03275528745893027,
"volume": 366.3530663574857,
"volume_molar": 18.38524777885333,
"formula_full": "Te4 Mo4 Se4",
"formula_reduced": "TeMoSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3178323444444446,
"spacegroup": 164
},
{
"id": "jvasp-42396",
"created_at": "2022-09-04T14:37:08.854381Z",
"updated_at": "2022-09-04T14:37:08.854392Z",
"structure_string": "V4 O3 F5\n1.0\n-0.139596 4.721811 3.064134\n-0.139596 4.721811 -3.064134\n-4.721811 0.139596 -3.064134\nV O F\n4 3 5\ndirect\n0.232481 0.254705 0.512815 V\n0.767521 0.719665 0.512815 V\n0.500001 0.526993 0.973007 V\n0.000001 0.990337 0.009663 V\n0.500001 0.819667 0.680333 O\n0.000001 0.286703 0.713296 O\n0.000001 0.697040 0.302959 O\n0.054532 0.746157 0.801601 F\n0.547762 0.252930 0.801601 F\n0.500000 0.206708 0.293292 F\n0.452240 0.746157 0.199311 F\n0.945469 0.252930 0.199311 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.2179182516667195,
"density_atomic": 0.08790347660670549,
"volume": 136.51337197605915,
"volume_molar": 6.85085618051723,
"formula_full": "V4 O3 F5",
"formula_reduced": "V4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 2.208834892708333,
"spacegroup": 44
},
{
"id": "jvasp-56519",
"created_at": "2022-09-04T14:37:00.695793Z",
"updated_at": "2022-09-04T14:37:00.695817Z",
"structure_string": "Li8 Ca4\n1.0\n3.058545 -5.297557 -0.000000\n3.058545 5.297557 -0.000000\n-0.000000 -0.000000 9.949728\nLi Ca\n8 4\ndirect\n0.167232 0.832769 0.250000 Li\n0.167232 0.334463 0.250000 Li\n0.334463 0.167232 0.750000 Li\n0.832769 0.167232 0.750000 Li\n0.665539 0.832770 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.832770 0.665539 0.750000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.562115 Ca\n0.666668 0.333334 0.437886 Ca\n0.666668 0.333334 0.062114 Ca\n0.333334 0.666668 0.937886 Ca\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"Ca"
],
"chemical_system": "Ca-Li",
"density": 1.1116019829694657,
"density_atomic": 0.03721769984905833,
"volume": 322.4272335116814,
"volume_molar": 16.18085154220612,
"formula_full": "Li8 Ca4",
"formula_reduced": "Li2Ca",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3416022222222222,
"spacegroup": 194
},
{
"id": "jvasp-50798",
"created_at": "2022-09-04T14:37:07.631004Z",
"updated_at": "2022-09-04T14:37:07.631013Z",
"structure_string": "Tb2 Ce2 O8\n1.0\n-0.201037 0.000000 5.454086\n2.626176 -5.440391 2.827675\n2.626176 5.440391 2.827675\nTb Ce O\n2 2 8\ndirect\n0.250000 0.374997 0.125003 Tb\n0.750001 0.625004 0.874998 Tb\n0.750001 0.125002 0.374998 Ce\n0.250000 0.874999 0.625003 Ce\n0.246537 0.000008 0.000021 O\n0.253464 0.499980 0.499993 O\n0.746589 0.753450 0.253431 O\n0.753413 0.246570 0.746551 O\n0.246588 0.753431 0.253450 O\n0.253413 0.246551 0.746570 O\n0.746538 0.500021 0.500008 O\n0.753464 -0.000008 -0.000021 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ce",
"O"
],
"chemical_system": "Ce-O-Tb",
"density": 7.440863671153299,
"density_atomic": 0.07405805093774243,
"volume": 162.03505018094398,
"volume_molar": 8.131649002027567,
"formula_full": "Tb2 Ce2 O8",
"formula_reduced": "TbCeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.896301316666667,
"spacegroup": 141
},
{
"id": "jvasp-10500",
"created_at": "2022-09-04T14:36:50.733848Z",
"updated_at": "2022-09-04T14:36:50.733870Z",
"structure_string": "Si4 O8\n1.0\n4.486900 -0.000000 0.000000\n-0.000000 4.486900 -0.000000\n0.000000 0.000000 4.486900\nSi O\n4 8\ndirect\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.344251 0.155749 0.844251 O\n0.155749 0.844251 0.344251 O\n0.844251 0.344251 0.155749 O\n0.655749 0.655749 0.655749 O\n0.344251 0.344251 0.344251 O\n0.155749 0.655749 0.844251 O\n0.844251 0.155749 0.655749 O\n0.655749 0.844251 0.155749 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 4.418053018101667,
"density_atomic": 0.13284403997056926,
"volume": 90.33148948690902,
"volume_molar": 4.533241206255219,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5422252000000003,
"spacegroup": 205
}
]
}