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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=305",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=303",
"results": [
{
"id": "jvasp-114810",
"created_at": "2022-09-04T14:38:43.853795Z",
"updated_at": "2022-09-04T14:38:43.853825Z",
"structure_string": "Rb1 S3 Cl1\n1.0\n3.004604 1.307726 4.426062\n-4.196673 2.422950 3.822424\n0.369778 -3.255927 4.426062\nRb S Cl\n1 3 1\ndirect\n0.234810 0.752745 0.234808 Rb\n-0.073609 0.265836 0.531839 S\n0.891332 0.033992 0.891329 S\n0.531840 0.265836 -0.073611 S\n0.540626 -0.193409 0.540625 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"S",
"Cl"
],
"chemical_system": "Cl-Rb-S",
"density": 2.3677415245998144,
"density_atomic": 0.03283702233868896,
"volume": 152.26715590801126,
"volume_molar": 18.33948492005819,
"formula_full": "Rb1 S3 Cl1",
"formula_reduced": "RbS3Cl",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.080478542333333,
"spacegroup": 8
},
{
"id": "jvasp-116507",
"created_at": "2022-09-04T14:38:42.474699Z",
"updated_at": "2022-09-04T14:38:42.474718Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.510073211913051,
"density_atomic": 0.1216531188259732,
"volume": 230.16261539545454,
"volume_molar": 4.950255955718465,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5553188243842366,
"spacegroup": 8
},
{
"id": "jvasp-112754",
"created_at": "2022-09-04T14:38:42.855428Z",
"updated_at": "2022-09-04T14:38:42.855450Z",
"structure_string": "Ti2 V6 O16\n1.0\n3.558566 0.000564 -1.097176\n-1.108257 12.359038 2.732042\n-0.000599 -0.023494 6.318103\nTi V O\n2 6 16\ndirect\n0.696165 0.641582 0.750919 Ti\n0.696304 0.141581 0.250897 Ti\n0.399100 0.647132 0.151224 V\n0.600029 0.352292 0.847641 V\n0.303741 0.359309 0.247925 V\n0.399261 0.147132 0.651204 V\n0.599835 0.852290 0.347668 V\n0.303600 0.859309 0.747952 V\n0.764596 0.328209 0.200782 O\n0.764450 0.828210 0.700806 O\n0.634193 -0.001209 0.269702 O\n0.634262 0.498793 0.769704 O\n0.557151 0.183954 0.930168 O\n0.556940 0.683952 0.430192 O\n0.442951 0.317482 0.568217 O\n0.237321 0.174319 0.300186 O\n0.361640 0.497762 0.225447 O\n0.361652 0.997764 0.725454 O\n0.867761 0.649448 0.086216 O\n0.237186 0.674319 0.800210 O\n0.135674 0.349720 0.921507 O\n0.135520 0.849719 0.421533 O\n0.442764 0.817481 0.068240 O\n0.867903 0.149450 0.586193 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 3.925627791891501,
"density_atomic": 0.08630960659731587,
"volume": 278.06869879472225,
"volume_molar": 6.977370187882748,
"formula_full": "Ti2 V6 O16",
"formula_reduced": "TiV3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4537932444444444,
"spacegroup": 8
},
{
"id": "jvasp-114682",
"created_at": "2022-09-04T14:38:42.883584Z",
"updated_at": "2022-09-04T14:38:42.883611Z",
"structure_string": "H2 C1 O1\n1.0\n2.508715 -1.634986 0.323291\n2.508715 1.634986 0.323291\n-0.983809 0.000000 4.004842\nH C O\n2 1 1\ndirect\n0.760116 0.760116 0.278050 H\n0.456690 0.456690 0.814033 H\n0.654064 0.654064 0.718777 C\n0.600191 0.600191 0.399140 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4710596224570582,
"density_atomic": 0.11801683896212971,
"volume": 33.893468382792015,
"volume_molar": 5.102780936144577,
"formula_full": "H2 C1 O1",
"formula_reduced": "H2CO",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.433705875,
"spacegroup": 8
},
{
"id": "jvasp-123564",
"created_at": "2022-09-04T14:38:51.946995Z",
"updated_at": "2022-09-04T14:38:51.947008Z",
"structure_string": "Co1 P3\n1.0\n3.067861 -0.000000 -0.982367\n-0.211194 3.443156 -0.659542\n0.089068 -0.791320 5.559685\nCo P\n1 3\ndirect\n0.369487 0.854328 0.738973 Co\n0.588178 0.114670 0.176354 P\n0.143118 0.576285 0.286233 P\n0.899221 0.454720 0.798442 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"P"
],
"chemical_system": "Co-P",
"density": 4.403501330024443,
"density_atomic": 0.06985241312811476,
"volume": 57.26359077479098,
"volume_molar": 8.621235101720718,
"formula_full": "Co1 P3",
"formula_reduced": "CoP3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.03259435,
"spacegroup": 8
},
{
"id": "jvasp-119603",
"created_at": "2022-09-04T14:38:52.086457Z",
"updated_at": "2022-09-04T14:38:52.086494Z",
"structure_string": "Li1 Mg17 Al11\n1.0\n8.567259 -0.045200 3.008016\n-4.176515 7.480421 3.008016\n0.035123 0.059476 9.098595\nLi Mg Al\n1 17 11\ndirect\n0.366107 0.366108 0.815088 Li\n0.315628 0.601654 -0.000201 Mg\n0.394457 0.709662 0.605719 Mg\n0.001901 0.317761 0.399685 Mg\n0.287215 0.686217 0.314758 Mg\n0.601428 -0.001524 0.684912 Mg\n-0.001525 0.601429 0.684913 Mg\n0.686217 0.287215 0.314758 Mg\n0.342862 0.004037 0.996905 Mg\n0.004036 0.342863 0.996905 Mg\n0.709661 0.394458 0.605719 Mg\n0.601654 0.315628 -0.000201 Mg\n0.397952 0.397952 0.284820 Mg\n0.656690 0.656691 0.347470 Mg\n0.003219 0.003220 0.997630 Mg\n0.681069 0.681070 0.713312 Mg\n0.996118 0.996119 0.655596 Mg\n0.317761 0.001901 0.399685 Mg\n0.817188 0.002350 0.368434 Al\n0.818161 0.183736 0.813476 Al\n0.635100 0.000440 0.187495 Al\n0.000439 0.635100 0.187495 Al\n0.812720 0.631413 0.003076 Al\n0.002349 0.817188 0.368435 Al\n0.365624 0.180603 0.631096 Al\n0.190208 0.190208 0.175400 Al\n0.180603 0.365625 0.631096 Al\n0.183735 0.818161 0.813476 Al\n0.631412 0.812721 0.003076 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Al"
],
"chemical_system": "Al-Li-Mg",
"density": 2.058560391831785,
"density_atomic": 0.05014643284832973,
"volume": 578.3063391111364,
"volume_molar": 12.0091109535433,
"formula_full": "Li1 Mg17 Al11",
"formula_reduced": "LiMg17Al11",
"formula_anonymous": "AB11C17",
"energy_above_hull": 0.3206175017241384,
"spacegroup": 8
},
{
"id": "jvasp-114978",
"created_at": "2022-09-04T14:38:43.561320Z",
"updated_at": "2022-09-04T14:38:43.561351Z",
"structure_string": "Ge2 Cl1\n1.0\n5.396358 -0.385246 -0.327100\n1.225226 -3.955554 -0.042445\n1.869093 -2.492206 -3.862747\nGe Cl\n2 1\ndirect\n0.533484 0.491078 0.214097 Ge\n0.515947 0.727190 0.604806 Ge\n0.031726 0.834377 0.293907 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge",
"density": 3.8148731227551353,
"density_atomic": 0.038134213897923576,
"volume": 78.66951205629418,
"volume_molar": 15.791962504117356,
"formula_full": "Ge2 Cl1",
"formula_reduced": "Ge2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4678286558333333,
"spacegroup": 8
},
{
"id": "jvasp-112094",
"created_at": "2022-09-04T14:38:43.632764Z",
"updated_at": "2022-09-04T14:38:43.632787Z",
"structure_string": "H8 C20 S4 O4\n1.0\n3.628492 0.200610 0.523315\n2.505790 9.294313 2.109155\n1.266155 -0.334381 11.954303\nH C S O\n8 20 4 4\ndirect\n0.320476 0.609795 0.298983 H\n0.820014 0.609841 0.799049 H\n0.570512 0.109776 0.549018 H\n0.070547 0.109791 0.048994 H\n0.193954 0.863180 0.172270 H\n0.693108 0.863251 0.672377 H\n0.443813 0.363159 0.422298 H\n-0.056124 0.363187 0.922291 H\n0.377093 0.710691 0.438194 C\n0.877213 0.710697 0.938198 C\n0.627076 0.210703 0.688215 C\n0.127400 0.210677 0.188176 C\n0.226792 0.107390 0.291433 C\n-0.023132 0.607392 0.041426 C\n0.726506 0.107423 0.791473 C\n0.006634 0.452355 0.067327 C\n0.476409 0.607418 0.541463 C\n0.506273 0.452372 0.567357 C\n0.756247 0.952389 0.817376 C\n0.256477 0.952361 0.317335 C\n0.813188 0.706921 0.829637 C\n0.563431 0.206882 0.579617 C\n0.063612 0.206882 0.079589 C\n0.313468 0.706888 0.329588 C\n0.743865 0.845466 0.760376 C\n0.494212 0.345413 0.510334 C\n-0.005601 0.345418 0.010314 C\n0.244334 0.845421 0.260308 C\n0.346625 0.883730 0.455854 S\n0.846818 0.883729 0.955851 S\n0.596516 0.383753 0.705869 S\n0.096982 0.383714 0.205826 S\n0.797832 0.158824 0.868293 O\n0.547507 0.658839 0.618313 O\n0.048326 0.658780 0.118229 O\n0.298082 0.158787 0.368262 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.8583642374878746,
"density_atomic": 0.09145421071384804,
"volume": 393.6396117685685,
"volume_molar": 6.584869863283533,
"formula_full": "H8 C20 S4 O4",
"formula_reduced": "H2C5SO",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 5.2018515,
"spacegroup": 8
},
{
"id": "jvasp-114970",
"created_at": "2022-09-04T14:38:43.821451Z",
"updated_at": "2022-09-04T14:38:43.821476Z",
"structure_string": "Ge1 C2\n1.0\n4.557098 -0.192483 -0.288034\n3.159185 -3.992321 0.093656\n0.545352 2.300662 -2.189187\nGe C\n1 2\ndirect\n0.914722 0.930291 0.089915 Ge\n0.110658 0.124904 0.561200 C\n0.686038 0.698308 0.117124 C\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "C-Ge",
"density": 4.614323693648613,
"density_atomic": 0.08624365094533509,
"volume": 34.78516930946636,
"volume_molar": 6.982706198067948,
"formula_full": "Ge1 C2",
"formula_reduced": "GeC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.036085316666666,
"spacegroup": 8
},
{
"id": "jvasp-117251",
"created_at": "2022-09-04T14:38:44.010644Z",
"updated_at": "2022-09-04T14:38:44.010670Z",
"structure_string": "Li2 V6 O8\n1.0\n5.044756 0.000367 -1.638542\n-0.000434 5.662574 -0.000123\n0.067067 0.000083 4.874298\nLi V O\n2 6 8\ndirect\n-0.007735 -0.000010 -0.001691 Li\n0.492271 0.499989 0.498311 Li\n-0.006823 0.500009 -0.044595 V\n0.493179 0.000009 0.455409 V\n0.507707 0.211120 0.026174 V\n0.507715 0.788875 0.026165 V\n0.007711 0.288876 0.526166 V\n0.007707 0.711117 0.526175 V\n0.733501 0.245061 0.740883 O\n0.233502 0.745059 0.240884 O\n0.233499 0.254944 0.240881 O\n0.733502 0.754943 0.740883 O\n0.240789 0.000002 0.735344 O\n0.740793 0.500002 0.235343 O\n0.291351 0.499997 0.776841 O\n0.791346 -0.000002 0.276838 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 5.313306536465853,
"density_atomic": 0.11439769961958192,
"volume": 139.86295225521488,
"volume_molar": 5.2642149099378965,
"formula_full": "Li2 V6 O8",
"formula_reduced": "LiV3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.128277075,
"spacegroup": 8
},
{
"id": "jvasp-112258",
"created_at": "2022-09-04T14:38:44.262398Z",
"updated_at": "2022-09-04T14:38:44.262427Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.970363 -0.086849 -0.260236\n-0.228347 3.966960 -0.291569\n-0.036503 0.009012 6.323259\nCd H C O\n1 2 3 4\ndirect\n0.565769 0.732436 0.509270 Cd\n0.411071 0.276166 0.008917 H\n0.107502 0.578700 0.008835 H\n0.966481 0.134195 0.803437 C\n0.018075 0.186221 0.211069 C\n0.140009 0.308051 0.005819 C\n0.782981 0.950712 0.207562 O\n0.163307 0.332308 0.384014 O\n0.697828 0.244077 0.720503 O\n0.076669 0.865592 0.720893 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.5811898403612306,
"density_atomic": 0.1005631504260217,
"volume": 99.44000319835249,
"volume_molar": 5.988416964353289,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.627016375,
"spacegroup": 8
},
{
"id": "jvasp-116703",
"created_at": "2022-09-04T14:38:44.305239Z",
"updated_at": "2022-09-04T14:38:44.305266Z",
"structure_string": "Dy4 Cd1 Se7\n1.0\n6.681569 -0.008217 1.751801\n5.498297 3.796336 1.751801\n0.056240 0.017492 12.159036\nDy Cd Se\n4 1 7\ndirect\n0.701307 0.701307 0.189638 Dy\n0.315900 0.315900 0.789416 Dy\n0.007113 0.007113 0.003465 Dy\n0.110867 0.110866 0.571047 Dy\n0.880973 0.880973 0.420645 Cd\n0.735691 0.735690 0.645340 Se\n0.254182 0.254181 0.348362 Se\n0.345407 0.345407 0.045369 Se\n0.667184 0.667184 0.944854 Se\n0.039445 0.039445 0.221198 Se\n0.967209 0.967209 0.788745 Se\n0.474724 0.474724 0.531923 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"Se"
],
"chemical_system": "Cd-Dy-Se",
"density": 7.07752211699647,
"density_atomic": 0.03889057540454462,
"volume": 308.5580471662994,
"volume_molar": 15.484833272218118,
"formula_full": "Dy4 Cd1 Se7",
"formula_reduced": "Dy4CdSe7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.2284457763888892,
"spacegroup": 8
}
]
}