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=3885",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=3883",
"results": [
{
"id": "jvasp-106608",
"created_at": "2022-09-04T14:36:48.906474Z",
"updated_at": "2022-09-04T14:36:48.906498Z",
"structure_string": "Sr1 La3\n1.0\n4.909296 -0.000589 -4.416546\n-0.974670 4.811570 -4.416546\n0.000482 0.000589 6.603564\nSr La\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 La\n0.250000 0.750000 0.499999 La\n0.500000 0.500000 -0.000000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"La"
],
"chemical_system": "La-Sr",
"density": 5.368147303898599,
"density_atomic": 0.025639821400690575,
"volume": 156.00732694231112,
"volume_molar": 23.48745206094845,
"formula_full": "Sr1 La3",
"formula_reduced": "SrLa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2850453275,
"spacegroup": 139
},
{
"id": "jvasp-8654",
"created_at": "2022-09-04T14:37:00.306002Z",
"updated_at": "2022-09-04T14:37:00.306036Z",
"structure_string": "Sn4 P3\n1.0\n3.993402 0.010877 11.631144\n1.950079 3.484906 11.631144\n0.018492 0.010877 12.297578\nSn P\n4 3\ndirect\n0.709967 0.709971 0.709968 Sn\n0.290030 0.290032 0.290031 Sn\n0.866893 0.866897 0.866894 Sn\n0.133105 0.133106 0.133105 Sn\n0.000000 0.000000 0.000000 P\n0.570947 0.570950 0.570948 P\n0.429051 0.429053 0.429051 P\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Sn",
"P"
],
"chemical_system": "P-Sn",
"density": 5.549926127813905,
"density_atomic": 0.041206940362948634,
"volume": 169.8742963768811,
"volume_molar": 14.614384632679085,
"formula_full": "Sn4 P3",
"formula_reduced": "Sn4P3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.7175461857142855,
"spacegroup": 166
},
{
"id": "jvasp-52594",
"created_at": "2022-09-04T14:36:51.259502Z",
"updated_at": "2022-09-04T14:36:51.259534Z",
"structure_string": "H1 Cl1\n1.0\n3.060340 -0.984623 1.925931\n0.091802 3.213525 1.925931\n-0.000000 -0.000000 3.851862\nH Cl\n1 1\ndirect\n0.708224 0.291776 -0.000000 H\n0.959775 0.040225 -0.000001 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.5837310663922648,
"density_atomic": 0.05231599301112403,
"volume": 38.22922752464503,
"volume_molar": 11.511089464973937,
"formula_full": "H1 Cl1",
"formula_reduced": "HCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.67774203375,
"spacegroup": 107
},
{
"id": "jvasp-16077",
"created_at": "2022-09-04T14:36:51.335736Z",
"updated_at": "2022-09-04T14:36:51.335758Z",
"structure_string": "Te4 Pt3\n1.0\n3.979124 0.001568 0.668810\n1.931860 3.478700 0.668810\n-0.041451 -0.024405 12.425441\nTe Pt\n4 3\ndirect\n0.945805 0.945807 0.162484 Te\n0.054193 0.054195 0.837516 Te\n0.794990 0.794993 0.614933 Te\n0.205008 0.205009 0.385067 Te\n0.646503 0.646505 0.060448 Pt\n0.499999 0.500001 0.500000 Pt\n0.353495 0.353497 0.939552 Pt\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Te",
"Pt"
],
"chemical_system": "Pt-Te",
"density": 10.57238067652873,
"density_atomic": 0.04067701718890097,
"volume": 172.0873476905284,
"volume_molar": 14.804774725820327,
"formula_full": "Te4 Pt3",
"formula_reduced": "Te4Pt3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.8274607523809523,
"spacegroup": 166
},
{
"id": "jvasp-100238",
"created_at": "2022-09-04T14:36:45.688345Z",
"updated_at": "2022-09-04T14:36:45.688363Z",
"structure_string": "Tb2 Mg6\n1.0\n6.668233 -0.000000 -0.000000\n-3.334116 5.774860 -0.000000\n0.000000 0.000000 5.169427\nTb Mg\n2 6\ndirect\n0.666666 0.333333 0.250000 Tb\n0.333332 0.666667 0.750000 Tb\n0.163877 0.327755 0.250000 Mg\n0.672244 0.836122 0.250000 Mg\n0.163877 0.836122 0.250000 Mg\n0.836122 0.163878 0.750000 Mg\n0.327755 0.163878 0.750000 Mg\n0.836122 0.672245 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 3.8678843799904365,
"density_atomic": 0.04018790376697979,
"volume": 199.06487400751578,
"volume_molar": 14.984958645561568,
"formula_full": "Tb2 Mg6",
"formula_reduced": "TbMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0018149999999999,
"spacegroup": 194
},
{
"id": "jvasp-18715",
"created_at": "2022-09-04T14:36:56.062496Z",
"updated_at": "2022-09-04T14:36:56.062519Z",
"structure_string": "Hf2 Ni4\n1.0\n4.230848 -0.000000 2.442682\n1.410283 3.988882 2.442682\n-0.000000 -0.000000 4.885362\nHf Ni\n2 4\ndirect\n0.125000 0.125000 0.125000 Hf\n0.875000 0.875000 0.874999 Hf\n0.500000 0.000000 0.499999 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Ni"
],
"chemical_system": "Hf-Ni",
"density": 11.91830908782736,
"density_atomic": 0.07277394000430622,
"volume": 82.44709575494971,
"volume_molar": 8.275133598158428,
"formula_full": "Hf2 Ni4",
"formula_reduced": "HfNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0711226,
"spacegroup": 227
},
{
"id": "jvasp-101002",
"created_at": "2022-09-04T14:36:51.407747Z",
"updated_at": "2022-09-04T14:36:51.407764Z",
"structure_string": "Mn6 Sb2\n1.0\n5.433837 0.000000 0.000000\n-2.716918 4.705841 0.000000\n0.000000 0.000000 4.294794\nMn Sb\n6 2\ndirect\n0.150632 0.301262 0.250000 Mn\n0.698738 0.849368 0.250000 Mn\n0.150631 0.849368 0.250000 Mn\n0.849368 0.698737 0.749999 Mn\n0.301262 0.150632 0.749999 Mn\n0.849369 0.150632 0.749999 Mn\n0.333333 0.666666 0.749999 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 8.666223590425629,
"density_atomic": 0.07284567860558831,
"volume": 109.82120220630746,
"volume_molar": 8.266984226485077,
"formula_full": "Mn6 Sb2",
"formula_reduced": "Mn3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 3.619759456034482,
"spacegroup": 194
},
{
"id": "jvasp-16004",
"created_at": "2022-09-04T14:36:44.871595Z",
"updated_at": "2022-09-04T14:36:44.871613Z",
"structure_string": "Al1 O1\n1.0\n2.746334 0.000000 1.585597\n0.915445 2.589270 1.585597\n-0.000000 -0.000000 3.171194\nAl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.164983778700138,
"density_atomic": 0.08869037506331069,
"volume": 22.5503612829726,
"volume_molar": 6.79007249174576,
"formula_full": "Al1 O1",
"formula_reduced": "AlO",
"formula_anonymous": "AB",
"energy_above_hull": 0.6557031500000003,
"spacegroup": 225
},
{
"id": "jvasp-22571",
"created_at": "2022-09-04T14:36:51.544789Z",
"updated_at": "2022-09-04T14:36:51.544800Z",
"structure_string": "Si4 O8\n1.0\n5.024807 0.000000 0.000000\n0.000000 5.034641 0.000000\n0.000000 0.000000 6.936629\nSi O\n4 8\ndirect\n0.999429 0.053528 0.624595 Si\n0.499429 0.446472 0.124595 Si\n0.499429 0.946472 0.375405 Si\n0.999429 0.553528 0.875405 Si\n0.442440 0.641829 0.307979 O\n0.942440 0.358171 0.692021 O\n0.442440 0.141829 0.192021 O\n0.308142 0.519410 0.942835 O\n0.808142 0.980590 0.442835 O\n0.942440 0.858171 0.807980 O\n0.308142 0.019410 0.557165 O\n0.808142 0.480590 0.057165 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.2742265946259472,
"density_atomic": 0.06838248599570534,
"volume": 175.48352952177905,
"volume_molar": 8.806554298681407,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3912252,
"spacegroup": 33
},
{
"id": "jvasp-100669",
"created_at": "2022-09-04T14:36:45.686592Z",
"updated_at": "2022-09-04T14:36:45.686623Z",
"structure_string": "Ca4 Mg2\n1.0\n9.147382 0.185616 0.000000\n-8.387742 3.654426 0.000000\n0.000000 0.000000 5.807421\nCa Mg\n4 2\ndirect\n0.083733 0.916270 0.250000 Ca\n0.775089 0.224913 0.250000 Ca\n0.224913 0.775089 0.750000 Ca\n0.916269 0.083732 0.750000 Ca\n0.429026 0.570976 0.250000 Mg\n0.570976 0.429027 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7075128867180678,
"density_atomic": 0.029531259389294618,
"volume": 203.1745385764029,
"volume_molar": 20.39242783591914,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0647021666666666,
"spacegroup": 63
},
{
"id": "jvasp-102965",
"created_at": "2022-09-04T14:36:47.327270Z",
"updated_at": "2022-09-04T14:36:47.327293Z",
"structure_string": "Nd3 Lu1\n1.0\n5.079706 0.000000 0.000000\n-0.000000 5.079706 0.000000\n-0.000000 0.000000 5.079706\nNd Lu\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Lu"
],
"chemical_system": "Lu-Nd",
"density": 7.6987036004089635,
"density_atomic": 0.030517170194294504,
"volume": 131.07375207245923,
"volume_molar": 19.733614623042282,
"formula_full": "Nd3 Lu1",
"formula_reduced": "Nd3Lu",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5630575625,
"spacegroup": 221
},
{
"id": "jvasp-104549",
"created_at": "2022-09-04T14:36:51.860383Z",
"updated_at": "2022-09-04T14:36:51.860418Z",
"structure_string": "Zr2 Ti6\n1.0\n6.024650 0.000000 0.000000\n-3.012325 5.217500 0.000000\n-0.000000 -0.000000 4.734119\nZr Ti\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666666 0.333333 0.250000 Zr\n0.159965 0.319931 0.250000 Ti\n0.680069 0.840035 0.250000 Ti\n0.159965 0.840035 0.250000 Ti\n0.840034 0.680070 0.750000 Ti\n0.319930 0.159965 0.750000 Ti\n0.840035 0.159965 0.750000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ti"
],
"chemical_system": "Ti-Zr",
"density": 5.240708140692141,
"density_atomic": 0.0537596629255531,
"volume": 148.81045684900363,
"volume_molar": 11.201968971307574,
"formula_full": "Zr2 Ti6",
"formula_reduced": "ZrTi3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9494423750000007,
"spacegroup": 194
}
]
}