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=formula_anonymous&page=836",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=834",
"results": [
{
"id": "jvasp-78510",
"created_at": "2022-09-04T14:37:12.326326Z",
"updated_at": "2022-09-04T14:37:12.326345Z",
"structure_string": "Ba1 Sb2\n1.0\n-0.133171 0.000000 4.679036\n-2.558899 4.591623 -0.072818\n-2.558899 -4.591623 -0.072818\nBa Sb\n1 2\ndirect\n-0.000000 0.000000 0.500000 Ba\n0.500000 0.339637 0.160363 Sb\n0.500000 0.660363 0.839637 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.7470144365153955,
"density_atomic": 0.027262388753285214,
"volume": 110.04171450817894,
"volume_molar": 22.08955647466626,
"formula_full": "Ba1 Sb2",
"formula_reduced": "BaSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.65140939,
"spacegroup": 65
},
{
"id": "jvasp-78966",
"created_at": "2022-09-04T14:37:12.444877Z",
"updated_at": "2022-09-04T14:37:12.444903Z",
"structure_string": "Pu1 O2\n1.0\n-2.689794 -2.689794 0.000000\n-2.689794 0.000000 -2.689794\n-0.000000 -2.689794 -2.689794\nPu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.250000 0.250000 O\n0.749999 0.749999 0.749999 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 11.775225537211927,
"density_atomic": 0.0770786673967523,
"volume": 38.92127486529956,
"volume_molar": 7.812979859916134,
"formula_full": "Pu1 O2",
"formula_reduced": "PuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.628575666666667,
"spacegroup": 225
},
{
"id": "jvasp-9953",
"created_at": "2022-09-04T14:37:17.339053Z",
"updated_at": "2022-09-04T14:37:17.339084Z",
"structure_string": "Co4 O8\n1.0\n2.769779 0.000000 0.000000\n-1.384891 4.535004 -0.000000\n-0.000000 -0.000000 9.227363\nCo O\n4 8\ndirect\n0.865879 0.731759 0.074773 Co\n0.134121 0.268240 0.925227 Co\n0.865879 0.731759 0.425227 Co\n0.134121 0.268240 0.574772 Co\n0.235166 0.470330 0.391288 O\n0.764834 0.529669 0.608711 O\n0.764834 0.529669 0.891288 O\n0.235166 0.470330 0.108711 O\n0.944651 0.889300 0.250000 O\n0.055349 0.110699 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.211052032649787,
"density_atomic": 0.103533488490424,
"volume": 115.90452688271874,
"volume_molar": 5.816611463407803,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.103592633333333,
"spacegroup": 63
},
{
"id": "jvasp-34636",
"created_at": "2022-09-04T14:37:12.475583Z",
"updated_at": "2022-09-04T14:37:12.475608Z",
"structure_string": "Si4 O8\n1.0\n5.129491 -0.017871 0.033309\n-2.537366 4.889320 0.010052\n-0.963379 -1.212749 5.673608\nSi O\n4 8\ndirect\n0.828242 0.503240 0.397060 Si\n-0.004522 0.064971 0.472916 Si\n0.529165 0.270243 0.911000 Si\n0.131000 0.768539 0.082959 Si\n0.402743 0.941653 0.950831 O\n0.028969 0.993924 0.200220 O\n0.775917 0.206522 0.465748 O\n0.550168 0.432440 0.170271 O\n0.160288 0.631761 0.318075 O\n0.310721 0.268324 0.675139 O\n0.841509 0.767960 0.565614 O\n0.879272 0.476522 0.889007 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.8034332730803984,
"density_atomic": 0.08429491458297077,
"volume": 142.35734218804507,
"volume_molar": 7.144132940632448,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4593052000000002,
"spacegroup": 1
},
{
"id": "jvasp-42464",
"created_at": "2022-09-04T14:37:13.053306Z",
"updated_at": "2022-09-04T14:37:13.053339Z",
"structure_string": "Ni2 Mo1\n1.0\n-1.835672 -1.309968 3.854358\n1.835672 1.309968 3.854358\n-1.835672 1.309968 -3.854358\nNi Mo\n2 1\ndirect\n0.669070 0.669070 0.000000 Ni\n0.330930 0.330930 -0.000000 Ni\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"Mo"
],
"chemical_system": "Mo-Ni",
"density": 9.554912279348677,
"density_atomic": 0.08091954697990379,
"volume": 37.07386054379474,
"volume_molar": 7.442133557044734,
"formula_full": "Ni2 Mo1",
"formula_reduced": "Ni2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.350083566666666,
"spacegroup": 71
},
{
"id": "jvasp-36325",
"created_at": "2022-09-04T14:37:13.040197Z",
"updated_at": "2022-09-04T14:37:13.040213Z",
"structure_string": "Hf1 N2\n1.0\n1.625394 -2.815266 -0.000000\n1.625394 2.815266 0.000000\n-0.000000 0.000000 3.813036\nHf N\n1 2\ndirect\n0.666666 0.333331 0.500001 Hf\n0.000000 0.000000 0.811978 N\n0.000000 0.000000 0.188023 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 9.826465079129534,
"density_atomic": 0.08596907736171802,
"volume": 34.89626842658077,
"volume_molar": 7.00500801545377,
"formula_full": "Hf1 N2",
"formula_reduced": "HfN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.380376499999999,
"spacegroup": 187
},
{
"id": "jvasp-34621",
"created_at": "2022-09-04T14:37:12.434655Z",
"updated_at": "2022-09-04T14:37:12.434680Z",
"structure_string": "Si4 O8\n1.0\n5.096504 -0.095424 -0.766224\n-0.580727 5.064209 -0.766224\n-0.062498 -0.068767 6.828436\nSi O\n4 8\ndirect\n0.445615 0.188090 0.572369 Si\n0.811909 0.554385 0.427633 Si\n0.996372 0.998298 0.764610 Si\n0.001702 0.003625 0.235392 Si\n0.241251 0.209976 0.733432 O\n0.530654 0.469345 0.500001 O\n0.013999 0.707257 0.633908 O\n0.912928 0.287973 0.321171 O\n0.790022 0.758749 0.266570 O\n0.018840 0.981160 0.000001 O\n0.712026 0.087071 0.678831 O\n0.292742 0.986001 0.366094 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.2764039173279365,
"density_atomic": 0.06844795473111137,
"volume": 175.31568396952684,
"volume_molar": 8.798131052501384,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4115385333333337,
"spacegroup": 5
},
{
"id": "jvasp-78298",
"created_at": "2022-09-04T14:37:12.514313Z",
"updated_at": "2022-09-04T14:37:12.514328Z",
"structure_string": "Tm1 Sb2\n1.0\n3.372154 0.000000 0.000000\n-1.686077 3.111816 0.000000\n0.000000 0.000000 8.463413\nTm Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n-0.000000 0.500001 0.705268 Sb\n0.499999 0.500001 0.294732 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"Sb"
],
"chemical_system": "Sb-Tm",
"density": 7.711839721063222,
"density_atomic": 0.033779592892154854,
"volume": 88.81101704149712,
"volume_molar": 17.827748188755148,
"formula_full": "Tm1 Sb2",
"formula_reduced": "TmSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2814021500000004,
"spacegroup": 21
},
{
"id": "jvasp-4807",
"created_at": "2022-09-04T14:37:13.013261Z",
"updated_at": "2022-09-04T14:37:13.013292Z",
"structure_string": "Zr2 Np1\n1.0\n2.619099 -4.536413 0.000000\n2.619099 4.536413 0.000000\n0.000000 0.000000 2.767775\nZr Np\n2 1\ndirect\n0.666667 0.333333 0.500001 Zr\n0.333333 0.666667 0.500001 Zr\n0.000000 0.000000 0.000000 Np\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Np"
],
"chemical_system": "Np-Zr",
"density": 10.590145973995368,
"density_atomic": 0.04561377077472307,
"volume": 65.76961187480808,
"volume_molar": 13.202462014688724,
"formula_full": "Zr2 Np1",
"formula_reduced": "Zr2Np",
"formula_anonymous": "AB2",
"energy_above_hull": 4.7992463333333335,
"spacegroup": 191
},
{
"id": "jvasp-78914",
"created_at": "2022-09-04T14:37:13.002473Z",
"updated_at": "2022-09-04T14:37:13.002481Z",
"structure_string": "W1 O2\n1.0\n2.818952 0.013690 4.301334\n1.294089 2.504398 4.301334\n0.022360 0.013690 5.142710\nW O\n1 2\ndirect\n0.000000 0.000000 0.000000 W\n0.251738 0.251736 0.251736 O\n0.748265 0.748263 0.748262 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 9.98744293919854,
"density_atomic": 0.08359820463203116,
"volume": 35.88593813951994,
"volume_molar": 7.203672359361387,
"formula_full": "W1 O2",
"formula_reduced": "WO2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2019456666666666,
"spacegroup": 166
},
{
"id": "jvasp-22665",
"created_at": "2022-09-04T14:37:12.976950Z",
"updated_at": "2022-09-04T14:37:12.976966Z",
"structure_string": "Be2 I4\n1.0\n5.396120 0.000000 -2.535078\n-1.209965 5.335620 -2.575510\n0.029946 -0.005029 7.074322\nBe I\n2 4\ndirect\n-0.000001 0.750000 -0.000000 Be\n-0.000000 0.250000 -0.000000 Be\n0.893955 0.618640 0.237279 I\n0.343324 0.118640 0.237279 I\n0.656675 0.881360 0.762720 I\n0.106045 0.381360 0.762720 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"I"
],
"chemical_system": "Be-I",
"density": 4.278650611854837,
"density_atomic": 0.0294116044330193,
"volume": 204.0011116586359,
"volume_molar": 20.47539016007971,
"formula_full": "Be2 I4",
"formula_reduced": "BeI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1584762166666667,
"spacegroup": 72
},
{
"id": "jvasp-10941",
"created_at": "2022-09-04T14:37:12.924490Z",
"updated_at": "2022-09-04T14:37:12.924515Z",
"structure_string": "Ni4 O8\n1.0\n2.852894 0.000417 0.000295\n1.425435 6.733248 -0.001817\n1.425557 0.023932 6.720282\nNi O\n4 8\ndirect\n0.830190 0.816135 0.518413 Ni\n0.645828 0.518426 0.184866 Ni\n0.348245 0.481212 0.817266 Ni\n0.163845 0.183503 0.483722 Ni\n0.541556 0.280007 0.631821 O\n0.824184 0.628097 0.718494 O\n0.169884 0.371541 0.283640 O\n0.452491 0.719628 0.370316 O\n0.198604 0.951692 0.646047 O\n0.151329 0.644904 0.047390 O\n0.795440 0.047947 0.356088 O\n0.842746 0.354735 0.954746 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.666634633316828,
"density_atomic": 0.09296212016150263,
"volume": 129.08483562070722,
"volume_molar": 6.478058750744674,
"formula_full": "Ni4 O8",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4740331333333336,
"spacegroup": 87
}
]
}