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=structure_string&page=1121",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=1119",
"results": [
{
"id": "jvasp-9952",
"created_at": "2022-09-04T14:36:52.529070Z",
"updated_at": "2022-09-04T14:36:52.529089Z",
"structure_string": "Cr4 O8\n1.0\n2.870239 0.000000 -0.000000\n-1.435120 4.622840 -0.000000\n0.000000 0.000000 9.678076\nCr O\n4 8\ndirect\n0.866526 0.733053 0.076959 Cr\n0.133474 0.266947 0.923042 Cr\n0.866526 0.733053 0.423041 Cr\n0.133474 0.266947 0.576959 Cr\n0.237305 0.474609 0.397402 O\n0.762695 0.525391 0.602598 O\n0.762695 0.525391 0.897403 O\n0.237305 0.474609 0.102598 O\n0.926678 0.853356 0.250000 O\n0.073322 0.146644 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.344562550348347,
"density_atomic": 0.09344698509503759,
"volume": 128.41505788330937,
"volume_molar": 6.444446285640306,
"formula_full": "Cr4 O8",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.204328133333333,
"spacegroup": 63
},
{
"id": "jvasp-10744",
"created_at": "2022-09-04T14:38:08.614215Z",
"updated_at": "2022-09-04T14:38:08.614231Z",
"structure_string": "Cr4 O8\n1.0\n4.990738 0.000081 2.881517\n1.663760 4.705140 2.881338\n0.000155 -0.000109 5.762766\nCr O\n4 8\ndirect\n0.500008 -0.000001 0.499989 Cr\n0.500006 0.500014 0.000002 Cr\n-0.000001 0.499993 0.499988 Cr\n0.499990 0.499988 0.500026 Cr\n0.265125 0.265110 0.265105 O\n0.704668 0.265108 0.265110 O\n0.265104 0.704671 0.265118 O\n0.265105 0.265112 0.704666 O\n0.734891 0.295332 0.734892 O\n0.734892 0.734885 0.295326 O\n0.295333 0.734894 0.734899 O\n0.734888 0.734890 0.734886 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.122869447992943,
"density_atomic": 0.08867859891313831,
"volume": 135.32013526458775,
"volume_molar": 6.790974185213227,
"formula_full": "Cr4 O8",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.220048133333333,
"spacegroup": 227
},
{
"id": "jvasp-11356",
"created_at": "2022-09-04T14:37:18.095832Z",
"updated_at": "2022-09-04T14:37:18.095860Z",
"structure_string": "Cr4 O8\n1.0\n5.670994 0.076900 0.054377\n2.902095 5.026576 -0.000000\n2.902095 1.675525 4.739101\nCr O\n4 8\ndirect\n0.270099 0.243301 0.243300 Cr\n0.641632 0.100465 0.628952 Cr\n0.641632 0.628952 0.100464 Cr\n0.641632 0.628953 0.628952 Cr\n0.392854 0.367421 0.367421 O\n0.392854 0.367422 0.872304 O\n0.392854 0.872305 0.367421 O\n0.863688 0.378770 0.378770 O\n0.405847 0.864719 0.864717 O\n0.829753 0.409884 0.880182 O\n0.829753 0.880182 0.409884 O\n0.829753 0.880183 0.880182 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.17892849006158,
"density_atomic": 0.08988437012897912,
"volume": 133.50485721578357,
"volume_molar": 6.699875352476252,
"formula_full": "Cr4 O8",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.220491466666666,
"spacegroup": 160
},
{
"id": "jvasp-44402",
"created_at": "2022-09-04T14:38:34.734211Z",
"updated_at": "2022-09-04T14:38:34.734236Z",
"structure_string": "Cr4 P2 O10\n1.0\n-3.200445 0.000000 6.407201\n1.980391 -3.802818 3.246053\n1.980391 3.802818 3.246053\nCr P O\n4 2 10\ndirect\n0.500000 -0.000000 -0.000000 Cr\n0.500000 0.500000 -0.000001 Cr\n-0.000000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.750000 0.125016 0.374982 P\n0.250000 0.874983 0.625016 P\n0.887894 0.297542 0.306064 O\n0.612106 0.193934 0.202457 O\n0.888014 0.814609 0.306002 O\n0.611986 0.193996 0.685390 O\n0.250000 0.374975 0.125024 O\n0.750000 0.625023 0.874975 O\n0.388014 0.806002 0.314609 O\n0.111986 0.185390 0.693997 O\n0.387894 0.806064 0.797542 O\n0.112106 0.702457 0.693934 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 4.067400897141315,
"density_atomic": 0.09115788323906718,
"volume": 175.51965262333937,
"volume_molar": 6.606275339025331,
"formula_full": "Cr4 P2 O10",
"formula_reduced": "Cr2PO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.326300975,
"spacegroup": 141
},
{
"id": "jvasp-17944",
"created_at": "2022-09-04T14:38:14.199971Z",
"updated_at": "2022-09-04T14:38:14.200005Z",
"structure_string": "Cr4 P4\n1.0\n3.094996 -0.000000 0.000000\n-0.000000 5.365277 0.000000\n0.000000 0.000000 5.949133\nCr P\n4 4\ndirect\n0.250000 0.508490 0.690788 Cr\n0.750001 0.491510 0.309211 Cr\n0.250000 0.008490 0.809211 Cr\n0.750001 0.991511 0.190788 Cr\n0.250000 0.687449 0.066869 P\n0.750001 0.312552 0.933131 P\n0.250000 0.187449 0.433131 P\n0.750001 0.812552 0.566868 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"P"
],
"chemical_system": "Cr-P",
"density": 5.578578356080252,
"density_atomic": 0.08098117389327315,
"volume": 98.78839260274707,
"volume_molar": 7.43647007134857,
"formula_full": "Cr4 P4",
"formula_reduced": "CrP",
"formula_anonymous": "AB",
"energy_above_hull": 2.32950645,
"spacegroup": 62
},
{
"id": "jvasp-48613",
"created_at": "2022-09-04T14:37:05.318098Z",
"updated_at": "2022-09-04T14:37:05.318118Z",
"structure_string": "Cr4 P4 O16\n1.0\n4.683332 0.000000 0.000000\n-0.000000 6.290719 0.000000\n0.000000 0.000000 8.660091\nCr P O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.521944 0.750000 0.177004 P\n0.021944 0.250000 0.322996 P\n0.978056 0.750000 0.677004 P\n0.478056 0.250000 0.822996 P\n0.939228 0.750000 0.859454 O\n0.798841 0.250000 0.881226 O\n0.298841 0.750000 0.618774 O\n0.439228 0.250000 0.640546 O\n0.837016 0.545584 0.622964 O\n0.837016 0.954416 0.622964 O\n0.162983 0.045584 0.377036 O\n0.201159 0.750000 0.118774 O\n0.560771 0.750000 0.359454 O\n0.701159 0.250000 0.381226 O\n0.337016 0.454416 0.877036 O\n0.060771 0.250000 0.140546 O\n0.662983 0.545584 0.122964 O\n0.662983 0.954416 0.122964 O\n0.162983 0.454416 0.377036 O\n0.337016 0.045584 0.877036 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.8260672172379757,
"density_atomic": 0.09406619002806663,
"volume": 255.13949265766047,
"volume_molar": 6.402024742580909,
"formula_full": "Cr4 P4 O16",
"formula_reduced": "CrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.851949483333334,
"spacegroup": 62
},
{
"id": "jvasp-59184",
"created_at": "2022-09-04T14:38:08.883968Z",
"updated_at": "2022-09-04T14:38:08.883979Z",
"structure_string": "Cr4 P4 O16\n1.0\n4.699090 0.000000 0.000000\n-0.000000 5.628219 0.000000\n0.000000 0.000000 9.772233\nCr P O\n4 4 16\ndirect\n0.444743 0.750000 0.768977 Cr\n0.944743 0.250000 0.731022 Cr\n0.055257 0.750000 0.268977 Cr\n0.555257 0.250000 0.231022 Cr\n0.617523 0.750000 0.086202 P\n0.117523 0.250000 0.413798 P\n0.882477 0.750000 0.586202 P\n0.382477 0.250000 0.913798 P\n0.201408 0.750000 0.610828 O\n0.681756 0.750000 0.934151 O\n0.818244 0.750000 0.434151 O\n0.798592 0.250000 0.389171 O\n0.727850 0.537491 0.663950 O\n0.272150 0.462509 0.336050 O\n0.772150 0.537491 0.163950 O\n0.227850 0.462509 0.836050 O\n0.298592 0.750000 0.110828 O\n0.318244 0.250000 0.065849 O\n0.727850 0.962509 0.663950 O\n0.227850 0.037491 0.836050 O\n0.701409 0.250000 0.889171 O\n0.181756 0.250000 0.565849 O\n0.772150 0.962509 0.163950 O\n0.272150 0.037491 0.336050 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.777041171514297,
"density_atomic": 0.09286085487018161,
"volume": 258.4512067388537,
"volume_molar": 6.485123110721823,
"formula_full": "Cr4 P4 O16",
"formula_reduced": "CrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.853917816666668,
"spacegroup": 62
},
{
"id": "jvasp-30059",
"created_at": "2022-09-04T14:38:10.017199Z",
"updated_at": "2022-09-04T14:38:10.017232Z",
"structure_string": "Cr4 P4 O16\n1.0\n4.716211 -0.029710 0.717254\n1.061227 4.595359 -0.717254\n0.613197 -0.775949 12.632070\nCr P O\n4 4 16\ndirect\n0.250056 0.750071 0.250008 Cr\n0.749945 0.249929 0.749991 Cr\n0.750071 0.250055 0.249992 Cr\n0.249930 0.749945 0.750008 Cr\n0.746403 0.753714 0.100122 P\n0.253598 0.246286 0.899878 P\n0.753715 0.746403 0.399878 P\n0.246286 0.253597 0.600122 P\n0.857332 0.009608 0.355009 O\n0.142669 -0.009608 0.644991 O\n-0.009607 0.142668 0.855009 O\n0.509467 0.357287 0.644987 O\n0.642713 0.490533 0.144987 O\n0.731361 0.768789 0.518481 O\n0.513040 0.986836 0.808813 O\n0.768790 0.731361 0.981519 O\n0.013165 0.486961 0.308813 O\n0.009608 0.857332 0.144991 O\n0.231211 0.268639 0.018481 O\n0.357288 0.509467 0.855013 O\n0.490534 0.642713 0.355013 O\n0.986836 0.513039 0.691187 O\n0.268640 0.231211 0.481519 O\n0.486961 0.013164 0.191187 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.629658853790236,
"density_atomic": 0.08923737093258981,
"volume": 268.9456194101648,
"volume_molar": 6.748451570305836,
"formula_full": "Cr4 P4 O16",
"formula_reduced": "CrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.885641150000001,
"spacegroup": 12
},
{
"id": "jvasp-30551",
"created_at": "2022-09-04T14:37:31.478189Z",
"updated_at": "2022-09-04T14:37:31.478211Z",
"structure_string": "Cr4 S10\n1.0\n4.175841 0.000012 -0.000004\n-0.000016 5.762483 0.002780\n-0.000004 -0.006546 13.611875\nCr S\n4 10\ndirect\n0.018566 0.120459 0.148898 Cr\n0.518566 0.879668 0.351107 Cr\n0.518564 0.879535 0.648896 Cr\n0.018565 0.120333 0.851106 Cr\n0.518566 0.976491 0.183419 S\n0.018567 0.023705 0.316599 S\n0.018566 0.023511 0.683417 S\n0.518564 0.976288 0.816602 S\n0.018582 0.464605 0.852647 S\n0.518581 0.535263 0.647316 S\n0.518584 0.535398 0.352652 S\n0.518569 0.002142 0.500010 S\n0.018569 -0.002136 0.000010 S\n0.018584 0.464730 0.147318 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 2.679988027864324,
"density_atomic": 0.04274215072323634,
"volume": 327.5455203612167,
"volume_molar": 14.089465920876378,
"formula_full": "Cr4 S10",
"formula_reduced": "Cr2S5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.062934971428571,
"spacegroup": 59
},
{
"id": "jvasp-109808",
"created_at": "2022-09-04T14:38:16.271132Z",
"updated_at": "2022-09-04T14:38:16.271159Z",
"structure_string": "Cr4 S3 N2\n1.0\n4.647020 -0.001547 3.525306\n1.054717 2.946361 0.000000\n0.031894 -0.011417 8.448320\nCr S N\n4 3 2\ndirect\n0.317640 0.841178 0.643434 Cr\n0.682360 0.158819 0.356567 Cr\n0.545606 0.727197 0.109865 Cr\n0.454394 0.272801 0.890136 Cr\n0.000000 0.000000 0.000000 S\n0.826269 0.586864 0.765261 S\n0.173732 0.413134 0.234739 S\n0.488801 0.755598 0.364527 N\n0.511199 0.244400 0.635473 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cr",
"S",
"N"
],
"chemical_system": "Cr-N-S",
"density": 4.783678422733056,
"density_atomic": 0.07804861014448779,
"volume": 115.31275167281923,
"volume_molar": 7.715884688851587,
"formula_full": "Cr4 S3 N2",
"formula_reduced": "Cr4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.565768455555554,
"spacegroup": 12
},
{
"id": "jvasp-42479",
"created_at": "2022-09-04T14:36:52.772472Z",
"updated_at": "2022-09-04T14:36:52.772491Z",
"structure_string": "Cr4 S6\n1.0\n3.293457 -4.857257 -0.000000\n1.935061 4.857256 -2.665033\n1.961308 4.875053 3.847884\nCr S\n4 6\ndirect\n0.323534 0.676467 0.970600 Cr\n0.500001 0.500000 0.500002 Cr\n-0.000002 0.000002 -0.000005 Cr\n0.676471 0.323530 0.029411 Cr\n0.092917 0.596412 0.242247 S\n0.596415 0.745747 0.757750 S\n0.403589 0.254258 0.242247 S\n0.907085 0.403586 0.757750 S\n0.254254 0.092916 0.757750 S\n0.745742 0.907083 0.242248 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 4.0074667110946445,
"density_atomic": 0.060277401935703766,
"volume": 165.8996519237296,
"volume_molar": 9.990710559197046,
"formula_full": "Cr4 S6",
"formula_reduced": "Cr2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.114368960000001,
"spacegroup": 148
},
{
"id": "jvasp-34496",
"created_at": "2022-09-04T14:37:19.990792Z",
"updated_at": "2022-09-04T14:37:19.990806Z",
"structure_string": "Cr4 S6\n1.0\n5.223180 -0.083927 3.639550\n1.855118 4.883357 3.639550\n-0.123776 -0.083927 6.364951\nCr S\n4 6\ndirect\n0.328981 0.328980 0.328981 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.671019 0.671019 0.671019 Cr\n0.743129 0.409949 0.092101 S\n0.092101 0.743129 0.409949 S\n0.590051 0.907899 0.256871 S\n0.409949 0.092101 0.743129 S\n0.907899 0.256870 0.590051 S\n0.256871 0.590050 0.907899 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 3.9904744961784853,
"density_atomic": 0.060021817387629156,
"volume": 166.6060848410941,
"volume_molar": 10.03325294385571,
"formula_full": "Cr4 S6",
"formula_reduced": "Cr2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.101614960000001,
"spacegroup": 148
}
]
}