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=id&page=477",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=475",
"results": [
{
"id": "jvasp-108135",
"created_at": "2022-09-04T14:35:56.924660Z",
"updated_at": "2022-09-04T14:35:56.924685Z",
"structure_string": "Cu3 Pd1 Au4\n1.0\n2.932654 0.000000 0.000000\n0.000000 2.932654 0.000000\n0.000000 0.000000 14.268912\nCu Pd Au\n3 1 4\ndirect\n0.499999 0.499999 0.255564 Cu\n0.499999 0.499999 0.500000 Cu\n0.499999 0.499999 0.744436 Cu\n0.499999 0.499999 -0.000000 Pd\n0.000000 0.000000 0.864178 Au\n0.000000 0.000000 0.135821 Au\n0.000000 0.000000 0.377869 Au\n0.000000 0.000000 0.622131 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Pd",
"Au"
],
"chemical_system": "Au-Cu-Pd",
"density": 14.680336503666167,
"density_atomic": 0.06518947345209594,
"volume": 122.71919953270903,
"volume_molar": 9.23790366925625,
"formula_full": "Cu3 Pd1 Au4",
"formula_reduced": "Cu3PdAu4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.29620716625,
"spacegroup": 123
},
{
"id": "jvasp-108137",
"created_at": "2022-09-04T14:38:27.909679Z",
"updated_at": "2022-09-04T14:38:27.909697Z",
"structure_string": "Cu2 Si1 Te3\n1.0\n5.422830 -0.013927 -4.860847\n-0.550008 4.044984 -6.030813\n-0.009985 0.013927 7.282501\nCu Si Te\n2 1 3\ndirect\n0.157165 0.166668 0.990497 Cu\n0.823829 0.833331 0.990496 Cu\n0.516438 0.499999 0.016437 Si\n0.922039 0.669410 0.252627 Te\n0.583219 0.330589 0.252628 Te\n0.247309 0.000000 0.247309 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Si",
"Te"
],
"chemical_system": "Cu-Si-Te",
"density": 5.583911472287747,
"density_atomic": 0.03750391147114866,
"volume": 159.98331279700605,
"volume_molar": 16.057367148577992,
"formula_full": "Cu2 Si1 Te3",
"formula_reduced": "Cu2SiTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9186721333333332,
"spacegroup": 44
},
{
"id": "jvasp-108139",
"created_at": "2022-09-04T14:35:59.448605Z",
"updated_at": "2022-09-04T14:35:59.448633Z",
"structure_string": "Co1 Ni1 Se2\n1.0\n3.665539 0.000000 0.000000\n-1.832769 3.174450 0.000000\n0.000000 0.000000 5.223323\nCo Ni Se\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.261743 Se\n0.666667 0.333333 0.738256 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Ni",
"Se"
],
"chemical_system": "Co-Ni-Se",
"density": 7.528196179766728,
"density_atomic": 0.0658122552073149,
"volume": 60.77895351556662,
"volume_molar": 9.150485332905975,
"formula_full": "Co1 Ni1 Se2",
"formula_reduced": "CoNiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7192225083333332,
"spacegroup": 164
},
{
"id": "jvasp-10814",
"created_at": "2022-09-04T14:37:12.146198Z",
"updated_at": "2022-09-04T14:37:12.146214Z",
"structure_string": "Mg1 Cr4 S8\n1.0\n6.920053 0.010069 0.007120\n3.468747 6.008044 0.000000\n3.468747 2.002681 5.664440\nMg Cr S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.000001 0.500000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.254191 0.257257 0.257257 S\n0.254191 0.257257 0.731295 S\n0.254191 0.731294 0.257257 S\n0.729823 0.256726 0.256726 S\n0.270178 0.743274 0.743274 S\n0.745810 0.742742 0.268705 S\n0.745810 0.268705 0.742743 S\n0.745810 0.742742 0.742743 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"S"
],
"chemical_system": "Cr-Mg-S",
"density": 3.450934742282191,
"density_atomic": 0.055270253011528325,
"volume": 235.20789740709975,
"volume_molar": 10.895808200378413,
"formula_full": "Mg1 Cr4 S8",
"formula_reduced": "Mg(CrS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.10039681923077,
"spacegroup": 166
},
{
"id": "jvasp-108140",
"created_at": "2022-09-04T14:38:28.656729Z",
"updated_at": "2022-09-04T14:38:28.656750Z",
"structure_string": "Cr6 C3 N1\n1.0\n4.825331 -0.003350 0.000000\n-4.023767 2.663293 0.000000\n-0.000000 -0.000000 6.969379\nCr C N\n6 3 1\ndirect\n0.596963 0.403036 -0.000000 Cr\n0.389050 0.610948 0.500000 Cr\n0.863228 0.136772 0.169197 Cr\n0.147885 0.852113 0.315784 Cr\n0.863228 0.136772 0.830803 Cr\n0.147885 0.852113 0.684217 Cr\n0.502074 0.497924 0.257279 C\n0.502074 0.497924 0.742721 C\n0.244269 0.755729 -0.000000 C\n0.743336 0.256663 0.500000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"C",
"N"
],
"chemical_system": "C-Cr-N",
"density": 6.718800893312778,
"density_atomic": 0.11176752351398848,
"volume": 89.47142860106791,
"volume_molar": 5.388095370339208,
"formula_full": "Cr6 C3 N1",
"formula_reduced": "Cr6C3N",
"formula_anonymous": "AB3C6",
"energy_above_hull": 6.209264765,
"spacegroup": 38
},
{
"id": "jvasp-108142",
"created_at": "2022-09-04T14:36:01.412977Z",
"updated_at": "2022-09-04T14:36:01.412998Z",
"structure_string": "Cr2 P4 W2\n1.0\n3.200730 0.000000 0.000000\n0.000000 5.573309 0.000000\n0.000000 0.000000 6.117831\nCr P W\n2 4 2\ndirect\n0.500000 0.487767 0.063739 Cr\n0.500000 0.987767 0.936261 Cr\n0.500000 0.315488 0.700909 P\n0.500000 0.815488 0.299091 P\n-0.000000 0.690226 0.834727 P\n-0.000000 0.190226 0.165273 P\n-0.000000 0.506520 0.443188 W\n-0.000000 0.006520 0.556812 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"P",
"W"
],
"chemical_system": "Cr-P-W",
"density": 9.061920871092456,
"density_atomic": 0.07330445150410225,
"volume": 109.13389072357093,
"volume_molar": 8.21524564529753,
"formula_full": "Cr2 P4 W2",
"formula_reduced": "CrP2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.579909600000001,
"spacegroup": 26
},
{
"id": "jvasp-108143",
"created_at": "2022-09-04T14:38:18.158622Z",
"updated_at": "2022-09-04T14:38:18.158635Z",
"structure_string": "Cr1 Fe3 B2\n1.0\n4.031597 0.031220 3.030213\n2.449400 3.213977 1.042242\n-0.009326 0.018759 4.072454\nCr Fe B\n1 3 2\ndirect\n0.157922 0.842078 0.157922 Cr\n0.835926 0.164073 0.835926 Fe\n0.662031 0.661219 0.338780 Fe\n0.338781 0.337969 0.662031 Fe\n0.752668 0.747332 0.752668 B\n0.252669 0.247331 0.252668 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"B"
],
"chemical_system": "B-Cr-Fe",
"density": 7.611824130500305,
"density_atomic": 0.11405072471408062,
"volume": 52.608170750704964,
"volume_molar": 5.2802301564476695,
"formula_full": "Cr1 Fe3 B2",
"formula_reduced": "CrFe3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.3979531777777785,
"spacegroup": 42
},
{
"id": "jvasp-108144",
"created_at": "2022-09-04T14:36:04.731498Z",
"updated_at": "2022-09-04T14:36:04.731519Z",
"structure_string": "Cr2 Co2 Si4\n1.0\n4.455273 0.000000 0.000000\n0.000000 4.577916 0.009693\n0.000000 0.002180 4.566004\nCr Co Si\n2 2 4\ndirect\n0.636847 0.876688 0.100718 Cr\n0.136847 0.123313 0.899281 Cr\n0.363355 0.636931 0.609627 Co\n0.863354 0.363070 0.390371 Co\n0.657213 0.359903 0.909021 Si\n0.157213 0.640098 0.090978 Si\n0.342585 0.161318 0.416310 Si\n0.842585 0.838683 0.583688 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Si"
],
"chemical_system": "Co-Cr-Si",
"density": 5.9590677177846105,
"density_atomic": 0.08590372532202277,
"volume": 93.1275095464233,
"volume_molar": 7.010337138960061,
"formula_full": "Cr2 Co2 Si4",
"formula_reduced": "CrCoSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5019188750000003,
"spacegroup": 4
},
{
"id": "jvasp-108147",
"created_at": "2022-09-04T14:37:55.210915Z",
"updated_at": "2022-09-04T14:37:55.210939Z",
"structure_string": "Ce1 Pu1 Co4\n1.0\n4.255159 0.000000 2.456717\n1.418386 4.011802 2.456717\n-0.000000 -0.000000 4.913434\nCe Pu Co\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Pu\n0.626544 0.626543 0.120368 Co\n0.626544 0.120368 0.626543 Co\n0.120369 0.626543 0.626543 Co\n0.626544 0.626543 0.626544 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Pu",
"Co"
],
"chemical_system": "Ce-Co-Pu",
"density": 12.271409198289978,
"density_atomic": 0.07153372492677906,
"volume": 83.87652126520068,
"volume_molar": 8.418603625302863,
"formula_full": "Ce1 Pu1 Co4",
"formula_reduced": "CePuCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.27925985,
"spacegroup": 216
},
{
"id": "jvasp-108148",
"created_at": "2022-09-04T14:38:15.772036Z",
"updated_at": "2022-09-04T14:38:15.772055Z",
"structure_string": "Ce2 Zr1 O6\n1.0\n4.877640 -0.002724 -4.340679\n-0.494902 3.594937 -5.428110\n0.000818 0.002724 6.529385\nCe Zr O\n2 1 6\ndirect\n0.664434 0.664435 0.000001 Ce\n0.335566 0.335567 0.000001 Ce\n0.000000 0.000000 0.000000 Zr\n0.597056 0.840137 0.756919 O\n0.234846 0.500000 0.734846 O\n0.916781 0.159864 0.756918 O\n0.765155 0.500001 0.265155 O\n0.402945 0.159864 0.243083 O\n0.083220 0.840137 0.243084 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"O"
],
"chemical_system": "Ce-O-Zr",
"density": 6.7748931582865985,
"density_atomic": 0.07855222098022392,
"volume": 114.57346320310681,
"volume_molar": 7.6664169196643295,
"formula_full": "Ce2 Zr1 O6",
"formula_reduced": "Ce2ZrO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6335607222222226,
"spacegroup": 71
},
{
"id": "jvasp-108149",
"created_at": "2022-09-04T14:36:05.139895Z",
"updated_at": "2022-09-04T14:36:05.139913Z",
"structure_string": "Ce2 Mg1 Zn1\n1.0\n3.818315 -0.000000 0.000000\n0.000000 3.818315 0.000000\n-0.000000 0.000000 7.065676\nCe Mg Zn\n2 1 1\ndirect\n0.000000 -0.000000 0.781423 Ce\n0.000000 -0.000000 0.218577 Ce\n0.499999 0.499999 0.500000 Mg\n0.499999 0.499999 -0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Zn"
],
"chemical_system": "Ce-Mg-Zn",
"density": 5.963348734228905,
"density_atomic": 0.03882958647035487,
"volume": 103.01423125002555,
"volume_molar": 15.509155021771114,
"formula_full": "Ce2 Mg1 Zn1",
"formula_reduced": "Ce2MgZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8138313181818179,
"spacegroup": 123
},
{
"id": "jvasp-10815",
"created_at": "2022-09-04T14:37:12.217026Z",
"updated_at": "2022-09-04T14:37:12.217051Z",
"structure_string": "Mg1 Co4 S8\n1.0\n6.680892 0.063636 0.044998\n3.395556 5.881275 0.000000\n3.395556 1.960425 5.544920\nMg Co S\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000001 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000001 0.500000 Co\n0.262844 0.262894 0.262894 S\n0.262844 0.262894 0.711370 S\n0.262844 0.711370 0.262894 S\n0.716212 0.261262 0.261262 S\n0.283788 0.738738 0.738738 S\n0.737157 0.737106 0.288630 S\n0.737156 0.288631 0.737107 S\n0.737157 0.737107 0.737107 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Co",
"S"
],
"chemical_system": "Co-Mg-S",
"density": 3.9697588977613325,
"density_atomic": 0.06016438458442264,
"volume": 216.0746775654026,
"volume_molar": 10.009477869003604,
"formula_full": "Mg1 Co4 S8",
"formula_reduced": "Mg(CoS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.5529540500000003,
"spacegroup": 166
}
]
}