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=nelements&page=489",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=487",
"results": [
{
"id": "jvasp-90419",
"created_at": "2022-09-04T14:36:04.913247Z",
"updated_at": "2022-09-04T14:36:04.913266Z",
"structure_string": "Cr4 Te4\n1.0\n0.000000 0.000000 -4.118234\n0.000000 -6.337407 -0.000000\n-7.131376 0.000000 0.000000\nCr Te\n4 4\ndirect\n0.749999 0.500018 0.750055 Cr\n0.749999 0.000018 0.749946 Cr\n0.250000 0.499983 0.249945 Cr\n0.250000 -0.000018 0.250055 Cr\n0.749999 0.249957 0.083352 Te\n0.749999 0.749957 0.416649 Te\n0.250000 0.750044 0.916649 Te\n0.250000 0.250044 0.583352 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.409291678603494,
"density_atomic": 0.042982733671594706,
"volume": 186.1212472227384,
"volume_molar": 14.010604365026122,
"formula_full": "Cr4 Te4",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.9111225833333332,
"spacegroup": 194
},
{
"id": "jvasp-93329",
"created_at": "2022-09-04T14:35:55.845970Z",
"updated_at": "2022-09-04T14:35:55.845994Z",
"structure_string": "Co4 B2\n1.0\n-2.481758 2.481758 -2.118777\n2.481758 -2.481758 -2.118777\n-2.481758 -2.481758 2.118777\nCo B\n4 2\ndirect\n0.833074 0.333073 0.166147 Co\n0.166927 0.666928 0.833854 Co\n0.666928 0.833074 0.500000 Co\n0.333073 0.166927 0.500000 Co\n0.750001 0.750001 0.000000 B\n0.250000 0.250000 0.000000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"B"
],
"chemical_system": "B-Co",
"density": 8.186857559307438,
"density_atomic": 0.11494422280695302,
"volume": 52.19923066578913,
"volume_molar": 5.239185243884845,
"formula_full": "Co4 B2",
"formula_reduced": "Co2B",
"formula_anonymous": "AB2",
"energy_above_hull": 3.1980681277777787,
"spacegroup": 140
},
{
"id": "jvasp-105860",
"created_at": "2022-09-04T14:35:55.762453Z",
"updated_at": "2022-09-04T14:35:55.762488Z",
"structure_string": "Sr1 Ca3\n1.0\n5.107462 0.002900 -4.510733\n-1.036956 5.001090 -4.510733\n-0.002359 -0.002900 6.814167\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.500000 Ca\n0.249999 0.750000 0.500000 Ca\n0.499999 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 1.984299014897768,
"density_atomic": 0.022996387814087325,
"volume": 173.94036108356312,
"volume_molar": 26.18733345726108,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001575,
"spacegroup": 139
},
{
"id": "jvasp-87013",
"created_at": "2022-09-04T14:36:04.902234Z",
"updated_at": "2022-09-04T14:36:04.902257Z",
"structure_string": "Pd8 S2\n1.0\n5.192164 0.000000 0.000000\n0.000000 5.192164 0.000000\n-0.000000 0.000000 5.646508\nPd S\n8 2\ndirect\n0.768248 0.355014 0.843343 Pd\n0.855013 0.268249 0.343343 Pd\n0.144986 0.731751 0.343343 Pd\n0.644985 0.768248 0.156658 Pd\n0.268249 0.144986 0.656658 Pd\n0.731751 0.855013 0.656658 Pd\n0.231751 0.644985 0.843343 Pd\n0.355014 0.231751 0.156658 Pd\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 9.986790769163985,
"density_atomic": 0.0656936283010824,
"volume": 152.22176425038828,
"volume_molar": 9.167008910513742,
"formula_full": "Pd8 S2",
"formula_reduced": "Pd4S",
"formula_anonymous": "AB4",
"energy_above_hull": 1.78791656,
"spacegroup": 114
},
{
"id": "jvasp-1408",
"created_at": "2022-09-04T14:36:04.806598Z",
"updated_at": "2022-09-04T14:36:04.806623Z",
"structure_string": "Al1 Sb1\n1.0\n3.812448 0.000000 2.201118\n1.270816 3.594410 2.201118\n0.000000 0.000000 4.402235\nAl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Sb"
],
"chemical_system": "Al-Sb",
"density": 4.094271158280346,
"density_atomic": 0.03315318298488162,
"volume": 60.326032674209046,
"volume_molar": 18.164593012822305,
"formula_full": "Al1 Sb1",
"formula_reduced": "AlSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.9763444500000004,
"spacegroup": 216
},
{
"id": "jvasp-15042",
"created_at": "2022-09-04T14:36:01.463367Z",
"updated_at": "2022-09-04T14:36:01.463376Z",
"structure_string": "Tb1 Pd3\n1.0\n4.120283 -0.000000 0.000000\n0.000000 4.120283 0.000000\n-0.000000 0.000000 4.120283\nTb Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Pd"
],
"chemical_system": "Pd-Tb",
"density": 11.351786772610923,
"density_atomic": 0.05718456899258295,
"volume": 69.94894025552269,
"volume_molar": 10.531059105789701,
"formula_full": "Tb1 Pd3",
"formula_reduced": "TbPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3746113750000002,
"spacegroup": 221
},
{
"id": "jvasp-87256",
"created_at": "2022-09-04T14:36:04.789647Z",
"updated_at": "2022-09-04T14:36:04.789674Z",
"structure_string": "Mn8 F32\n1.0\n5.538455 -0.000356 1.908685\n2.769717 9.006001 0.954118\n-0.165760 0.000092 9.469126\nMn F\n8 32\ndirect\n0.610545 0.242503 0.500649 Mn\n0.111204 -0.000656 0.242501 Mn\n0.353048 0.500663 0.257488 Mn\n0.353711 0.257487 -0.000667 Mn\n0.389455 0.757496 0.499351 Mn\n0.888795 0.000655 0.757499 Mn\n0.646952 0.499337 0.742512 Mn\n0.646289 0.742512 0.000667 Mn\n0.923007 0.890911 0.336802 F\n0.150736 0.609090 0.163165 F\n0.259833 0.163147 0.890913 F\n0.686082 0.663166 0.390942 F\n0.076993 0.109088 0.663198 F\n0.849264 0.390910 0.836835 F\n0.146452 0.407434 0.362906 F\n0.509387 0.137053 0.407427 F\n0.916813 0.092571 0.137063 F\n0.313919 0.336834 0.609058 F\n0.053893 0.362939 0.092532 F\n0.490613 0.862947 0.592573 F\n0.083187 0.907428 0.862937 F\n0.740167 0.836852 0.109087 F\n0.605886 0.388529 0.352738 F\n0.394115 0.611470 0.647262 F\n0.494428 0.352757 0.111448 F\n0.347149 0.111479 0.147263 F\n0.853548 0.592566 0.637094 F\n0.041367 0.852754 0.611457 F\n0.505572 0.647242 0.888552 F\n0.652851 0.888520 0.852737 F\n0.607835 0.594251 0.144760 F\n0.752607 0.355262 0.594222 F\n0.702085 0.144726 0.905788 F\n0.346831 0.905757 0.355254 F\n0.392165 0.405748 0.855240 F\n0.247393 0.644737 0.405778 F\n0.297915 0.855273 0.094212 F\n0.653169 0.094242 0.644746 F\n0.958633 0.147245 0.388543 F\n0.946107 0.637061 0.907469 F\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.6604335608973866,
"density_atomic": 0.08417997039204185,
"volume": 475.1724170691974,
"volume_molar": 7.153887952150334,
"formula_full": "Mn8 F32",
"formula_reduced": "MnF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.311973674275862,
"spacegroup": 88
},
{
"id": "jvasp-86362",
"created_at": "2022-09-04T14:36:05.928841Z",
"updated_at": "2022-09-04T14:36:05.928859Z",
"structure_string": "Eu2 Pd4\n1.0\n4.728291 0.000000 2.729880\n1.576096 4.457875 2.729880\n-0.000000 -0.000000 5.459760\nEu Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Eu\n0.875000 0.875001 0.874999 Eu\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500001 0.500000 Pd\n0.500000 0.500001 0.500000 Pd\n0.500000 0.500001 -0.000000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"Pd"
],
"chemical_system": "Eu-Pd",
"density": 10.527689042491636,
"density_atomic": 0.05213694913978767,
"volume": 115.08153236801449,
"volume_molar": 11.550619779944657,
"formula_full": "Eu2 Pd4",
"formula_reduced": "EuPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1591238,
"spacegroup": 227
},
{
"id": "jvasp-5365",
"created_at": "2022-09-04T14:36:01.963813Z",
"updated_at": "2022-09-04T14:36:01.963836Z",
"structure_string": "Cr2 Cl6\n1.0\n5.903550 0.001421 -0.948617\n-3.178964 4.974544 -0.948617\n-0.010562 -0.019290 6.067722\nCr Cl\n2 6\ndirect\n0.166550 0.833450 -0.000001 Cr\n0.833450 0.166549 -0.000001 Cr\n0.072361 0.425000 0.768796 Cl\n0.575000 0.927639 0.231202 Cl\n0.778335 0.778334 0.766078 Cl\n0.221665 0.221665 0.233921 Cl\n0.425000 0.072360 0.768796 Cl\n0.927640 0.574999 0.231202 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 2.9544652882595352,
"density_atomic": 0.044942552131460256,
"volume": 178.00502242505976,
"volume_molar": 13.399641262883332,
"formula_full": "Cr2 Cl6",
"formula_reduced": "CrCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.981237400625,
"spacegroup": 12
},
{
"id": "jvasp-93786",
"created_at": "2022-09-04T14:35:52.875608Z",
"updated_at": "2022-09-04T14:35:52.875635Z",
"structure_string": "Ti4 H2\n1.0\n4.224515 0.000000 0.000000\n0.000000 4.224515 -0.000000\n-0.000000 0.000000 4.224515\nTi H\n4 2\ndirect\n0.499999 0.000000 0.499999 Ti\n0.000000 0.499999 0.499999 Ti\n0.499999 0.499999 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.261508076113118,
"density_atomic": 0.07958306860426423,
"volume": 75.3929209469878,
"volume_molar": 7.567113037505218,
"formula_full": "Ti4 H2",
"formula_reduced": "Ti2H",
"formula_anonymous": "AB2",
"energy_above_hull": 2.959985555555555,
"spacegroup": 224
},
{
"id": "jvasp-76275",
"created_at": "2022-09-04T14:35:56.602371Z",
"updated_at": "2022-09-04T14:35:56.602402Z",
"structure_string": "Y6 H4\n1.0\n3.688782 -0.000000 -0.000000\n-1.844390 3.194579 0.000000\n-0.000000 -0.000000 17.267215\nY H\n6 4\ndirect\n0.333333 0.666667 0.828853 Y\n0.000000 0.000000 0.328853 Y\n0.000000 0.000000 0.666665 Y\n0.333333 0.666667 0.504473 Y\n0.000000 0.000000 0.004473 Y\n0.333333 0.666667 0.166665 Y\n0.000000 0.000000 0.535818 H\n0.000000 0.000000 0.797511 H\n0.333333 0.666667 0.297512 H\n0.333333 0.666667 0.035818 H\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Y",
"H"
],
"chemical_system": "H-Y",
"density": 4.386133735509553,
"density_atomic": 0.04914519707606014,
"volume": 203.47868347182296,
"volume_molar": 12.253772735268031,
"formula_full": "Y6 H4",
"formula_reduced": "Y3H2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.86643927,
"spacegroup": 194
},
{
"id": "jvasp-62906",
"created_at": "2022-09-04T14:36:01.339984Z",
"updated_at": "2022-09-04T14:36:01.340016Z",
"structure_string": "B4 N4\n1.0\n-2.512165 0.000038 -0.000655\n-0.000084 -4.377559 -0.030896\n1.254307 0.123880 6.538078\nB N\n4 4\ndirect\n-0.000009 0.998473 -0.000008 B\n0.200030 0.429675 0.400061 B\n0.865528 0.377703 0.731059 B\n0.531594 0.499204 0.063192 B\n0.980499 0.342002 0.961002 N\n0.506300 0.843179 0.012604 N\n0.646981 0.447437 0.293971 N\n0.312156 0.390725 0.624314 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.2930850865263515,
"density_atomic": 0.11128574501658621,
"volume": 71.88701480865916,
"volume_molar": 5.411421524924374,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.5820779166666665,
"spacegroup": 8
}
]
}