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=-energy_above_hull&page=708",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=706",
"results": [
{
"id": "jvasp-71869",
"created_at": "2022-09-04T14:35:50.844409Z",
"updated_at": "2022-09-04T14:35:50.844433Z",
"structure_string": "Be2 Mo1 P1\n1.0\n2.584595 -0.000000 0.000000\n-0.000000 2.584595 -0.000000\n0.000000 -0.000000 7.442915\nBe Mo P\n2 1 1\ndirect\n0.000000 0.000000 0.752472 Be\n0.000000 0.000000 0.247527 Be\n0.499999 0.499999 0.000000 Mo\n0.499999 0.499999 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"P"
],
"chemical_system": "Be-Mo-P",
"density": 4.840649976355586,
"density_atomic": 0.08045108997084176,
"volume": 49.71964955912639,
"volume_molar": 7.4854682045732766,
"formula_full": "Be2 Mo1 P1",
"formula_reduced": "Be2MoP",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2482508999999995,
"spacegroup": 123
},
{
"id": "jvasp-90531",
"created_at": "2022-09-04T14:35:51.920980Z",
"updated_at": "2022-09-04T14:35:51.920996Z",
"structure_string": "V2 Co1 O6\n1.0\n5.326120 0.100735 0.075854\n3.023303 4.386730 0.077006\n3.017264 1.620702 4.080126\nV Co O\n2 1 6\ndirect\n0.994733 0.994774 -0.005159 V\n0.487856 0.487676 0.487812 V\n0.690216 0.690238 0.690097 Co\n0.106765 0.751617 0.420462 O\n0.420592 0.106759 0.751537 O\n0.751677 0.420514 0.106700 O\n0.279514 0.644531 0.874902 O\n0.644422 0.875119 0.279316 O\n0.875022 0.279564 0.644337 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 4.594702247569,
"density_atomic": 0.09696934578010057,
"volume": 92.81283613493166,
"volume_molar": 6.210355150437476,
"formula_full": "V2 Co1 O6",
"formula_reduced": "V2CoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.248174477777778,
"spacegroup": 146
},
{
"id": "jvasp-34794",
"created_at": "2022-09-04T14:37:11.281514Z",
"updated_at": "2022-09-04T14:37:11.281547Z",
"structure_string": "K2 B6 H6\n1.0\n5.340908 -0.000000 3.083574\n1.780303 5.035456 3.083574\n-0.000000 0.000000 6.167149\nK B H\n2 6 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.140112 0.859888 0.140112 B\n0.140112 0.859888 0.859887 B\n0.859887 0.859888 0.140111 B\n0.859888 0.140112 0.140111 B\n0.859888 0.140112 0.859887 B\n0.140112 0.140112 0.859888 B\n0.278656 0.721344 0.721343 H\n0.278656 0.721344 0.278656 H\n0.721343 0.721344 0.278656 H\n0.721343 0.278657 0.278656 H\n0.721343 0.278657 0.721342 H\n0.278657 0.278657 0.721343 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"B",
"H"
],
"chemical_system": "B-H-K",
"density": 1.492857048377555,
"density_atomic": 0.08440918206685483,
"volume": 165.85873310455187,
"volume_molar": 7.134461693077737,
"formula_full": "K2 B6 H6",
"formula_reduced": "K(BH)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.2481465357142856,
"spacegroup": 225
},
{
"id": "jvasp-58334",
"created_at": "2022-09-04T14:37:42.749559Z",
"updated_at": "2022-09-04T14:37:42.749583Z",
"structure_string": "Cr4 Fe1 Cu1 S8\n1.0\n5.992025 0.000000 3.459497\n1.997342 5.649336 3.459497\n0.000000 0.000000 6.918995\nCr Fe Cu S\n4 1 1 8\ndirect\n0.624235 0.624235 0.624235 Cr\n0.624235 0.624235 0.127295 Cr\n0.624235 0.127295 0.624235 Cr\n0.127294 0.624235 0.624235 Cr\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cu\n0.871590 0.385233 0.871590 S\n0.385233 0.871590 0.871590 S\n0.871590 0.871590 0.385233 S\n0.871590 0.871590 0.871590 S\n0.383024 0.850930 0.383024 S\n0.850930 0.383024 0.383024 S\n0.383024 0.383024 0.383024 S\n0.383024 0.383024 0.850930 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Fe-S",
"density": 4.139711847378168,
"density_atomic": 0.05977423086928361,
"volume": 234.2146405968099,
"volume_molar": 10.074810955191428,
"formula_full": "Cr4 Fe1 Cu1 S8",
"formula_reduced": "Cr4FeCuS8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.2480468250000003,
"spacegroup": 216
},
{
"id": "jvasp-48251",
"created_at": "2022-09-04T14:36:03.080211Z",
"updated_at": "2022-09-04T14:36:03.080245Z",
"structure_string": "Li2 Ti2 V3 O10\n1.0\n4.987602 0.006061 0.009087\n0.985969 5.002195 0.020025\n1.765634 1.587034 7.338505\nLi Ti V O\n2 2 3 10\ndirect\n0.534251 0.772589 0.399918 Li\n0.465747 0.227408 0.600084 Li\n0.005914 0.873399 0.684834 Ti\n0.994085 0.126598 0.315167 Ti\n0.500000 -0.000000 0.000000 V\n0.959778 0.315055 0.896033 V\n0.040221 0.684942 0.103968 V\n0.226870 0.324438 0.060149 O\n0.725575 0.199755 0.778684 O\n0.818759 0.480255 0.313753 O\n0.181240 0.519743 0.686248 O\n0.768892 0.923981 0.514076 O\n0.773128 0.675559 0.939852 O\n0.231107 0.076016 0.485926 O\n0.215477 0.954089 0.866554 O\n0.274424 0.800243 0.221318 O\n0.784522 0.045908 0.133448 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.8369407390464865,
"density_atomic": 0.09298770646032127,
"volume": 182.81986562658216,
"volume_molar": 6.476276261926843,
"formula_full": "Li2 Ti2 V3 O10",
"formula_reduced": "Li2Ti2V3O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 3.247598486274509,
"spacegroup": 2
},
{
"id": "jvasp-39166",
"created_at": "2022-09-04T14:37:39.782530Z",
"updated_at": "2022-09-04T14:37:39.782551Z",
"structure_string": "Nd1 Y1 Ir2\n1.0\n-0.000000 3.489200 3.489200\n3.489200 -0.000000 3.489200\n3.489200 3.489200 -0.000000\nNd Y Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750001 0.750001 0.750001 Y\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499999 0.499999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Y",
"Ir"
],
"chemical_system": "Ir-Nd-Y",
"density": 12.07079945266563,
"density_atomic": 0.04708172911156906,
"volume": 84.95864692057599,
"volume_molar": 12.790823263371227,
"formula_full": "Nd1 Y1 Ir2",
"formula_reduced": "NdYIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2474272874999994,
"spacegroup": 225
},
{
"id": "jvasp-81039",
"created_at": "2022-09-04T14:37:18.254731Z",
"updated_at": "2022-09-04T14:37:18.254750Z",
"structure_string": "Mg1 V1 Ru2\n1.0\n-8.742270 -0.000000 -5.047353\n-5.718695 0.248149 -0.189635\n-4.937300 2.458266 -1.543049\nMg V Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 V\n0.719832 0.000001 -0.000000 Ru\n0.280167 0.000000 -0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Ru"
],
"chemical_system": "Mg-Ru-V",
"density": 7.192085259350638,
"density_atomic": 0.0624568965031799,
"volume": 64.04416844177241,
"volume_molar": 9.642074930337584,
"formula_full": "Mg1 V1 Ru2",
"formula_reduced": "MgVRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2471960625000005,
"spacegroup": 71
},
{
"id": "jvasp-68483",
"created_at": "2022-09-04T14:35:58.495283Z",
"updated_at": "2022-09-04T14:35:58.495306Z",
"structure_string": "Zr2 Be1 P1\n1.0\n-1.898557 1.898557 4.684168\n1.898557 -1.898557 4.684168\n1.898557 1.898557 -4.684168\nZr Be P\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750001 0.500001 Zr\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"P"
],
"chemical_system": "Be-P-Zr",
"density": 5.46903150129115,
"density_atomic": 0.0592270710859331,
"volume": 67.53668426717174,
"volume_molar": 10.16788547801464,
"formula_full": "Zr2 Be1 P1",
"formula_reduced": "Zr2BeP",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.24650515,
"spacegroup": 119
},
{
"id": "jvasp-44688",
"created_at": "2022-09-04T14:38:07.587016Z",
"updated_at": "2022-09-04T14:38:07.587042Z",
"structure_string": "V4 Co2 O12\n1.0\n6.655110 -0.029646 -0.100136\n-0.711790 6.617002 0.100136\n-1.447066 1.305588 5.433424\nV Co O\n4 2 12\ndirect\n0.202490 0.609708 0.760995 V\n0.390292 0.797509 0.260995 V\n0.609708 0.202490 0.739004 V\n0.797509 0.390291 0.239004 V\n0.082236 0.082237 0.749999 Co\n0.917763 0.917762 0.250000 Co\n0.807405 0.029443 0.858663 O\n0.621739 0.344376 0.434897 O\n0.628558 0.915432 0.271317 O\n0.655623 0.378261 0.934896 O\n0.344376 0.621739 0.065103 O\n0.192594 0.970557 0.141336 O\n0.378261 0.655624 0.565102 O\n0.915432 0.628558 0.228683 O\n0.084567 0.371441 0.771316 O\n0.029443 0.807406 0.641336 O\n0.371441 0.084567 0.728682 O\n0.970557 0.192594 0.358663 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 3.5922725707064074,
"density_atomic": 0.07581347000874822,
"volume": 237.4248269855338,
"volume_molar": 7.943365155697395,
"formula_full": "V4 Co2 O12",
"formula_reduced": "V2CoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2464500333333337,
"spacegroup": 15
},
{
"id": "jvasp-74918",
"created_at": "2022-09-04T14:36:13.244461Z",
"updated_at": "2022-09-04T14:36:13.244485Z",
"structure_string": "Be2 Fe1 Os1\n1.0\n2.817100 -0.000000 0.000000\n-0.000000 2.817100 -0.000000\n0.000000 -0.000000 5.243962\nBe Fe Os\n2 1 1\ndirect\n0.000000 0.000000 0.754329 Be\n0.000000 0.000000 0.245670 Be\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Os"
],
"chemical_system": "Be-Fe-Os",
"density": 10.537859153831198,
"density_atomic": 0.0961160529797513,
"volume": 41.61635726804842,
"volume_molar": 6.265489034665915,
"formula_full": "Be2 Fe1 Os1",
"formula_reduced": "Be2FeOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.246428175,
"spacegroup": 123
},
{
"id": "jvasp-76834",
"created_at": "2022-09-04T14:37:10.954926Z",
"updated_at": "2022-09-04T14:37:10.954949Z",
"structure_string": "Mg1 V1 Ru2\n1.0\n-8.736018 0.000000 -5.043743\n-5.717459 0.251846 -0.184556\n-4.936547 2.460598 -1.537135\nMg V Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000001 -0.000000 V\n0.720021 0.000001 -0.000000 Ru\n0.279978 0.000000 -0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Ru"
],
"chemical_system": "Mg-Ru-V",
"density": 7.185673317264363,
"density_atomic": 0.06240121445981894,
"volume": 64.10131653087711,
"volume_molar": 9.650678776256422,
"formula_full": "Mg1 V1 Ru2",
"formula_reduced": "MgVRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2463385625,
"spacegroup": 71
},
{
"id": "jvasp-90496",
"created_at": "2022-09-04T14:36:04.060427Z",
"updated_at": "2022-09-04T14:36:04.060446Z",
"structure_string": "Mn6 P3\n1.0\n6.085981 -0.000000 0.000000\n-3.042992 5.270615 -0.000000\n-0.000000 0.000000 3.273728\nMn P\n6 3\ndirect\n0.256502 0.256501 0.000000 Mn\n0.743498 0.000000 0.000000 Mn\n0.599205 0.599205 0.500000 Mn\n-0.000000 0.743498 0.000000 Mn\n0.400794 0.000000 0.500000 Mn\n-0.000000 0.400794 0.500000 Mn\n0.333333 0.666666 0.000004 P\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.999997 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 6.6817814793037495,
"density_atomic": 0.08570536931022224,
"volume": 105.01092373131578,
"volume_molar": 7.0265618227512014,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
}
]
}