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=3588",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3586",
"results": [
{
"id": "jvasp-48892",
"created_at": "2022-09-04T14:35:52.641215Z",
"updated_at": "2022-09-04T14:35:52.641231Z",
"structure_string": "Li2 Cr1 P2 O8\n1.0\n2.417078 -4.186501 0.000000\n2.417078 4.186501 0.000000\n0.000000 -0.000000 7.053936\nLi Cr P O\n2 1 2 8\ndirect\n0.666667 0.333333 0.703004 Li\n0.333334 0.666667 0.296993 Li\n0.000000 0.000000 -0.000003 Cr\n0.666667 0.333333 0.234266 P\n0.333334 0.666667 0.765730 P\n0.348359 0.044434 0.156890 O\n0.666667 0.333333 0.445108 O\n0.955567 0.303925 0.156890 O\n0.696076 0.651642 0.156890 O\n0.303925 0.348357 0.843107 O\n0.044433 0.696076 0.843107 O\n0.333334 0.666667 0.554888 O\n0.651644 0.955568 0.843107 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.9756484098667113,
"density_atomic": 0.09106258549727858,
"volume": 142.75895999448102,
"volume_molar": 6.613188860292104,
"formula_full": "Li2 Cr1 P2 O8",
"formula_reduced": "Li2Cr(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.794270492307692,
"spacegroup": 147
},
{
"id": "jvasp-74511",
"created_at": "2022-09-04T14:35:46.804180Z",
"updated_at": "2022-09-04T14:35:46.804204Z",
"structure_string": "Be1 Mo1 Se1\n1.0\n1.536597 -2.661464 -0.000000\n1.536597 2.661464 0.000000\n0.000000 0.000000 5.927226\nBe Mo Se\n1 1 1\ndirect\n0.000000 -0.000000 0.030303 Be\n0.666668 0.333334 0.335129 Mo\n0.333334 0.666668 0.634567 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Se"
],
"chemical_system": "Be-Mo-Se",
"density": 6.299376050316674,
"density_atomic": 0.061881266715039525,
"volume": 48.47993842490113,
"volume_molar": 9.73176710769624,
"formula_full": "Be1 Mo1 Se1",
"formula_reduced": "BeMoSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.794308455555555,
"spacegroup": 156
},
{
"id": "jvasp-71566",
"created_at": "2022-09-04T14:36:02.090168Z",
"updated_at": "2022-09-04T14:36:02.090191Z",
"structure_string": "Be2 Cr1 Rh1\n1.0\n2.704106 0.000000 0.000000\n0.000000 2.704106 0.000000\n-0.000000 0.000000 5.726104\nBe Cr Rh\n2 1 1\ndirect\n0.000000 0.000000 0.731809 Be\n0.000000 0.000000 0.268190 Be\n0.500001 0.500001 0.000000 Cr\n0.500001 0.500001 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Rh"
],
"chemical_system": "Be-Cr-Rh",
"density": 6.8580815914857585,
"density_atomic": 0.09553298243117399,
"volume": 41.8703561660683,
"volume_molar": 6.303729462584931,
"formula_full": "Be2 Cr1 Rh1",
"formula_reduced": "Be2CrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.79433065,
"spacegroup": 123
},
{
"id": "jvasp-68391",
"created_at": "2022-09-04T14:36:19.650528Z",
"updated_at": "2022-09-04T14:36:19.650553Z",
"structure_string": "Be2 Cr1 Rh1\n1.0\n2.704216 0.000000 0.000000\n0.000000 2.704216 0.000000\n-0.000000 0.000000 5.725939\nBe Cr Rh\n2 1 1\ndirect\n0.000000 0.000000 0.731799 Be\n0.000000 0.000000 0.268201 Be\n0.500001 0.500001 0.000000 Cr\n0.500001 0.500001 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Rh"
],
"chemical_system": "Be-Cr-Rh",
"density": 6.8577212753999985,
"density_atomic": 0.09552796323304527,
"volume": 41.87255610424561,
"volume_molar": 6.304060671019108,
"formula_full": "Be2 Cr1 Rh1",
"formula_reduced": "Be2CrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.79433065,
"spacegroup": 123
},
{
"id": "jvasp-67784",
"created_at": "2022-09-04T14:35:53.474100Z",
"updated_at": "2022-09-04T14:35:53.474126Z",
"structure_string": "Ta1 Be2 Sn1\n1.0\n2.858261 -3.402922 0.000000\n2.858261 3.402922 0.000000\n0.000000 0.000000 3.031861\nTa Be Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Sn"
],
"chemical_system": "Be-Sn-Ta",
"density": 8.944351930586596,
"density_atomic": 0.06782141258305206,
"volume": 58.97842359301674,
"volume_molar": 8.879409217001294,
"formula_full": "Ta1 Be2 Sn1",
"formula_reduced": "TaBe2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.794408275,
"spacegroup": 65
},
{
"id": "jvasp-31172",
"created_at": "2022-09-04T14:38:18.847011Z",
"updated_at": "2022-09-04T14:38:18.847033Z",
"structure_string": "Mn4 Sn2 O8\n1.0\n6.310792 -0.070759 0.000840\n3.094117 5.359167 0.000000\n3.135656 1.762406 5.185816\nMn Sn O\n4 2 8\ndirect\n0.016557 0.983444 0.016556 Mn\n0.233444 0.266557 0.233444 Mn\n0.625000 0.125000 0.625001 Mn\n0.625000 0.625001 0.625001 Mn\n0.125000 0.625001 0.625000 Sn\n0.625000 0.625000 0.125000 Sn\n0.377010 0.392598 0.377010 O\n0.377010 0.853383 0.377010 O\n0.373588 0.392889 0.840636 O\n0.840635 0.392889 0.373588 O\n0.409365 0.857112 0.876413 O\n0.876412 0.857112 0.409365 O\n0.872990 0.396618 0.872991 O\n0.872990 0.857403 0.872991 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 5.504933450818839,
"density_atomic": 0.07931419174016167,
"volume": 176.51317743821798,
"volume_molar": 7.59276571805575,
"formula_full": "Mn4 Sn2 O8",
"formula_reduced": "Mn2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7945028832512318,
"spacegroup": 74
},
{
"id": "jvasp-31940",
"created_at": "2022-09-04T14:37:31.208871Z",
"updated_at": "2022-09-04T14:37:31.208904Z",
"structure_string": "Re1 H8 N2 Cl6\n1.0\n4.919163 4.919163 -0.000000\n-0.000000 4.919163 4.919163\n4.919163 -0.000000 4.919163\nRe H N Cl\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.310846 0.067461 0.310846 H\n0.310846 0.310846 0.067461 H\n0.067461 0.310846 0.310846 H\n0.310846 0.310846 0.310846 H\n0.689153 0.932539 0.689153 H\n0.689153 0.689153 0.932539 H\n0.932539 0.689153 0.689153 H\n0.689153 0.689153 0.689153 H\n0.749999 0.749999 0.749999 N\n0.250000 0.250000 0.250000 N\n0.758221 0.758221 0.241778 Cl\n0.241778 0.758221 0.758221 Cl\n0.241778 0.241778 0.758221 Cl\n0.241778 0.758221 0.241778 Cl\n0.758221 0.241778 0.241778 Cl\n0.758221 0.241778 0.758221 Cl\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Re",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Re",
"density": 3.0341471213523747,
"density_atomic": 0.07140773952905839,
"volume": 238.06943213882417,
"volume_molar": 8.43345665290157,
"formula_full": "Re1 H8 N2 Cl6",
"formula_reduced": "ReH8(NCl3)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.7945117002941178,
"spacegroup": 225
},
{
"id": "jvasp-106715",
"created_at": "2022-09-04T14:37:01.447791Z",
"updated_at": "2022-09-04T14:37:01.447819Z",
"structure_string": "Th2 Cu1 Si3\n1.0\n4.157204 -0.000000 0.000000\n-2.078603 3.600244 0.000000\n0.000000 0.000000 8.170229\nTh Cu Si\n2 1 3\ndirect\n0.333333 0.666666 0.253545 Th\n0.333333 0.666666 0.746456 Th\n0.666666 0.333333 -0.000000 Cu\n0.666666 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Cu",
"Si"
],
"chemical_system": "Cu-Si-Th",
"density": 8.30896395295812,
"density_atomic": 0.04906634964147478,
"volume": 122.28339878229546,
"volume_molar": 12.273464001303266,
"formula_full": "Th2 Cu1 Si3",
"formula_reduced": "Th2CuSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.7946129083333333,
"spacegroup": 187
},
{
"id": "jvasp-98344",
"created_at": "2022-09-04T14:36:04.286986Z",
"updated_at": "2022-09-04T14:36:04.287002Z",
"structure_string": "Na8 Cr4 H32 O32\n1.0\n5.910611 0.000000 -1.576577\n0.000000 11.070363 0.000000\n0.011922 0.000000 12.098304\nNa Cr H O\n8 4 32 32\ndirect\n0.244465 0.926631 0.996047 Na\n0.755534 0.426631 0.503952 Na\n0.755534 0.073369 0.003952 Na\n0.244465 0.573369 0.496047 Na\n0.476154 0.820096 0.608064 Na\n0.523845 0.320096 0.891935 Na\n0.523846 0.179904 0.391935 Na\n0.476154 0.679904 0.108064 Na\n0.265108 0.398827 0.239702 Cr\n0.734892 0.898827 0.260297 Cr\n0.265108 0.101173 0.739702 Cr\n0.734891 0.601173 0.760297 Cr\n0.905286 0.189428 0.824040 H\n0.992123 0.293174 0.912584 H\n0.007877 0.793174 0.587415 H\n0.094714 0.810571 0.175960 H\n0.905286 0.310572 0.324040 H\n0.094714 0.689428 0.675960 H\n0.893853 0.990641 0.809605 H\n0.799880 0.868262 0.846544 H\n0.200119 0.368262 0.653455 H\n0.106146 0.009359 0.190395 H\n0.893853 0.509358 0.309605 H\n0.992123 0.206826 0.412584 H\n0.106146 0.490641 0.690394 H\n0.200119 0.131738 0.153455 H\n0.007877 0.706826 0.087415 H\n0.799881 0.631738 0.346544 H\n0.538191 0.247506 0.629351 H\n0.461808 0.747506 0.870648 H\n0.864163 0.522752 0.113855 H\n0.864163 0.977247 0.613855 H\n0.135836 0.477248 0.886144 H\n0.253222 0.060953 0.514068 H\n0.746777 0.560953 0.985931 H\n0.746777 0.939046 0.485931 H\n0.135836 0.022752 0.386144 H\n0.223857 0.803774 0.372974 H\n0.776142 0.303774 0.127025 H\n0.776142 0.196225 0.627025 H\n0.223857 0.696225 0.872974 H\n0.461808 0.752494 0.370648 H\n0.253222 0.439046 0.014068 H\n0.538192 0.252494 0.129351 H\n0.878260 0.555757 0.376837 O\n0.797256 0.592536 0.065241 O\n0.797256 0.907464 0.565241 O\n0.202744 0.407464 0.934758 O\n0.350246 0.753788 0.417327 O\n0.649754 0.253788 0.082673 O\n0.871845 0.269134 0.389827 O\n0.350246 0.746211 0.917327 O\n0.128155 0.769134 0.110172 O\n0.871845 0.230865 0.889827 O\n0.128154 0.730865 0.610172 O\n0.121740 0.055757 0.123163 O\n0.202744 0.092536 0.434758 O\n0.649753 0.246212 0.582672 O\n0.979685 0.406321 0.211792 O\n0.340675 0.259576 0.212288 O\n0.020315 0.593678 0.788207 O\n0.979685 0.093679 0.711792 O\n0.352089 0.494089 0.155550 O\n0.647911 0.994089 0.344449 O\n0.647911 0.505910 0.844449 O\n0.352088 0.005910 0.655550 O\n0.659324 0.759575 0.287712 O\n0.659324 0.740424 0.787711 O\n0.340675 0.240424 0.712288 O\n0.377675 0.428940 0.375506 O\n0.622325 0.928939 0.124494 O\n0.622325 0.571060 0.624494 O\n0.377675 0.071060 0.875505 O\n0.878259 0.944242 0.876837 O\n0.020315 0.906321 0.288207 O\n0.121740 0.444243 0.623162 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Na",
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-Na-O",
"density": 1.9631606391114833,
"density_atomic": 0.0959799944849702,
"volume": 791.8316770887195,
"volume_molar": 6.274370812704126,
"formula_full": "Na8 Cr4 H32 O32",
"formula_reduced": "Na2Cr(HO)8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 2.794647547368421,
"spacegroup": 14
},
{
"id": "jvasp-72097",
"created_at": "2022-09-04T14:35:47.129707Z",
"updated_at": "2022-09-04T14:35:47.129735Z",
"structure_string": "K1 Be1 Ir2\n1.0\n-1.972119 1.972119 4.221082\n1.972119 -1.972119 4.221082\n1.972119 1.972119 -4.221082\nK Be Ir\n1 1 2\ndirect\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-K",
"density": 10.937796998063554,
"density_atomic": 0.060912998214511564,
"volume": 65.66742923921717,
"volume_molar": 9.88646255564764,
"formula_full": "K1 Be1 Ir2",
"formula_reduced": "KBeIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.794776575,
"spacegroup": 139
},
{
"id": "jvasp-98605",
"created_at": "2022-09-04T14:35:58.415464Z",
"updated_at": "2022-09-04T14:35:58.415491Z",
"structure_string": "Co5 Se4 Cl2 O12\n1.0\n6.255864 -0.067270 1.942198\n0.298821 6.925413 3.075672\n0.131072 -0.081947 7.763445\nCo Se Cl O\n5 4 2 12\ndirect\n0.117604 0.697251 0.429543 Co\n0.882395 0.302748 0.570457 Co\n0.000000 0.000000 0.000000 Co\n0.676405 0.123164 0.349579 Co\n0.323594 0.876835 0.650421 Co\n0.656264 0.684407 0.315959 Se\n0.343734 0.315591 0.684041 Se\n0.783988 0.830211 0.786282 Se\n0.216011 0.169788 0.213718 Se\n0.189127 0.671415 0.007233 Cl\n0.810872 0.328584 0.992767 Cl\n0.417156 0.693521 0.492849 O\n0.734836 0.923230 0.217271 O\n0.172757 0.950158 0.203221 O\n0.359203 0.106491 0.384259 O\n0.163783 0.413595 0.540194 O\n0.582843 0.306478 0.507151 O\n0.836216 0.586404 0.459806 O\n0.958630 0.196206 0.364077 O\n0.827242 0.049841 0.796779 O\n0.041369 0.803793 0.635923 O\n0.265163 0.076769 0.782729 O\n0.640796 0.893508 0.615741 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Co",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Se",
"density": 4.313329416878942,
"density_atomic": 0.06840310310169949,
"volume": 336.24205565359154,
"volume_molar": 8.803899950337748,
"formula_full": "Co5 Se4 Cl2 O12",
"formula_reduced": "Co5Se4(ClO6)2",
"formula_anonymous": "A2B4C5D12",
"energy_above_hull": 2.7949551348550727,
"spacegroup": 2
},
{
"id": "jvasp-95058",
"created_at": "2022-09-04T14:35:41.345438Z",
"updated_at": "2022-09-04T14:35:41.345455Z",
"structure_string": "Ti2 Fe2 H2\n1.0\n-2.899664 0.000000 0.000000\n0.000000 -0.000000 -4.265001\n0.000000 -4.552356 -0.000000\nTi Fe H\n2 2 2\ndirect\n0.499999 0.750000 0.253422 Ti\n0.499999 0.250000 0.746579 Ti\n0.000000 0.750000 0.696501 Fe\n0.000000 0.250000 0.303500 Fe\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Ti",
"density": 6.177396059023524,
"density_atomic": 0.10657325226856945,
"volume": 56.29930467806056,
"volume_molar": 5.650705624356786,
"formula_full": "Ti2 Fe2 H2",
"formula_reduced": "TiFeH",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7949779444444447,
"spacegroup": 51
}
]
}