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=-created_at&page=435",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=433",
"results": [
{
"id": "jvasp-116433",
"created_at": "2022-09-04T14:38:42.494985Z",
"updated_at": "2022-09-04T14:38:42.495007Z",
"structure_string": "As1 N1 O1\n1.0\n3.767798 0.000000 0.000000\n-1.883899 3.263009 -0.000000\n-0.000000 0.000000 2.617934\nAs N O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.333333 0.666666 0.000000 N\n0.666666 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"As",
"N",
"O"
],
"chemical_system": "As-N-O",
"density": 5.413456787056423,
"density_atomic": 0.09320874882732738,
"volume": 32.18581986930872,
"volume_molar": 6.460917924299397,
"formula_full": "As1 N1 O1",
"formula_reduced": "AsNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3215828333333333,
"spacegroup": 187
},
{
"id": "jvasp-115586",
"created_at": "2022-09-04T14:38:42.493847Z",
"updated_at": "2022-09-04T14:38:42.493870Z",
"structure_string": "Ba1 Zr1 O3\n1.0\n4.222715 0.000000 0.000000\n0.000000 4.222715 -0.000000\n0.000000 -0.000000 4.224087\nBa Zr O\n1 1 3\ndirect\n0.500000 0.500000 0.002894 Ba\n0.000000 0.000000 0.502841 Zr\n0.500000 0.000000 0.502738 O\n0.000000 0.500000 0.502738 O\n0.000000 0.000000 0.002790 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 6.096844347388399,
"density_atomic": 0.06638250059025945,
"volume": 75.3210553314659,
"volume_molar": 9.071879947956722,
"formula_full": "Ba1 Zr1 O3",
"formula_reduced": "BaZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6905321939999998,
"spacegroup": 221
},
{
"id": "jvasp-112593",
"created_at": "2022-09-04T14:38:42.492723Z",
"updated_at": "2022-09-04T14:38:42.492750Z",
"structure_string": "Dy3 Al9 Ni6\n1.0\n8.990003 0.000000 0.000000\n-4.495002 7.785571 0.000000\n-0.000000 -0.000000 4.052903\nDy Al Ni\n3 9 6\ndirect\n0.333333 0.666667 0.500000 Dy\n0.666666 0.333333 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.296079 0.296079 0.500000 Al\n0.703921 0.703921 0.500000 Al\n0.000000 0.703921 0.500000 Al\n0.703921 -0.000000 0.500000 Al\n0.000000 0.296079 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.500000 -0.000000 Al\n0.500000 -0.000000 -0.000000 Al\n0.296079 -0.000000 0.500000 Al\n0.182704 0.817296 -0.000000 Ni\n0.182704 0.365407 -0.000000 Ni\n0.817296 0.634592 -0.000000 Ni\n0.634592 0.817296 -0.000000 Ni\n0.365407 0.182704 -0.000000 Ni\n0.817296 0.182704 -0.000000 Ni\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Dy",
"Al",
"Ni"
],
"chemical_system": "Al-Dy-Ni",
"density": 6.336627512429542,
"density_atomic": 0.0634535594725674,
"volume": 283.67202958538303,
"volume_molar": 9.490627176878117,
"formula_full": "Dy3 Al9 Ni6",
"formula_reduced": "DyAl3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4646682833333335,
"spacegroup": 191
},
{
"id": "jvasp-112709",
"created_at": "2022-09-04T14:38:42.492501Z",
"updated_at": "2022-09-04T14:38:42.492519Z",
"structure_string": "Ba2 Sr1 P2 O8\n1.0\n5.182405 -0.006301 5.635484\n2.193079 4.695504 5.635484\n-0.009911 -0.006301 7.656102\nBa Sr P O\n2 1 2 8\ndirect\n0.206747 0.206747 0.206747 Ba\n0.793252 0.793252 0.793252 Ba\n0.000000 0.000000 0.000000 Sr\n0.403578 0.403578 0.403578 P\n0.596421 0.596421 0.596421 P\n0.276295 0.734287 0.276294 O\n0.276295 0.276295 0.734287 O\n0.734287 0.276295 0.276294 O\n0.723705 0.265713 0.723705 O\n0.723705 0.723705 0.265712 O\n0.265713 0.723705 0.723705 O\n0.329850 0.329850 0.329850 O\n0.670149 0.670150 0.670149 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"P",
"O"
],
"chemical_system": "Ba-O-P-Sr",
"density": 4.909446596343346,
"density_atomic": 0.06960128213579711,
"volume": 186.77816846298987,
"volume_molar": 8.652341702916292,
"formula_full": "Ba2 Sr1 P2 O8",
"formula_reduced": "Ba2Sr(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.048895173076924,
"spacegroup": 166
},
{
"id": "jvasp-112798",
"created_at": "2022-09-04T14:38:42.491641Z",
"updated_at": "2022-09-04T14:38:42.491669Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.590657 -0.000001 -0.000030\n0.000001 6.298502 -0.000008\n-0.000019 0.000013 8.383821\nLi Mn P O\n4 4 4 16\ndirect\n0.000006 0.000001 0.500000 Li\n0.499995 -0.000001 0.000000 Li\n0.000006 0.499999 0.500000 Li\n0.499995 0.500000 0.000000 Li\n0.500013 0.249998 0.680231 Mn\n0.500002 0.750001 0.319769 Mn\n0.000005 0.249999 0.180229 Mn\n0.999984 0.750001 0.819770 Mn\n0.500003 0.250001 0.350896 P\n0.000003 0.250000 0.850893 P\n0.499997 0.749998 0.649104 P\n-0.000004 0.750000 0.149105 P\n0.499998 0.052869 0.240845 O\n0.999999 0.052868 0.740843 O\n0.499999 0.947129 0.759155 O\n1.000000 0.947131 0.259156 O\n0.500000 0.552866 0.759154 O\n1.000000 0.552867 0.259156 O\n0.222388 0.750000 0.035979 O\n0.777609 0.250000 0.964019 O\n0.222399 0.249999 0.964018 O\n0.722400 0.250000 0.464019 O\n0.777599 0.750000 0.035983 O\n0.277603 0.749999 0.535978 O\n1.000000 0.447133 0.740844 O\n0.277610 0.250000 0.464023 O\n0.722393 0.749999 0.535980 O\n0.499998 0.447133 0.240846 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5290078287466913,
"density_atomic": 0.09484532180167816,
"volume": 295.2175127682953,
"volume_molar": 6.349433631099184,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.549773820197045,
"spacegroup": 63
},
{
"id": "jvasp-111911",
"created_at": "2022-09-04T14:38:42.489695Z",
"updated_at": "2022-09-04T14:38:42.489729Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.923777 -0.004587 0.328327\n2.053014 4.475347 0.328327\n0.017726 0.011359 7.827700\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mo\n0.369920 0.369920 0.290118 P\n0.630081 0.630080 0.709883 P\n0.285457 0.762146 0.687474 O\n0.686190 0.686189 0.890059 O\n0.714543 0.237854 0.312527 O\n0.235499 0.235498 0.438424 O\n0.764502 0.764502 0.561577 O\n0.237854 0.714543 0.312527 O\n0.313811 0.313811 0.109941 O\n0.762147 0.285457 0.687474 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.073357105018789,
"density_atomic": 0.06955510273855543,
"volume": 172.5250848252751,
"volume_molar": 8.658086212072888,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423467391666667,
"spacegroup": 12
},
{
"id": "jvasp-116320",
"created_at": "2022-09-04T14:38:42.484261Z",
"updated_at": "2022-09-04T14:38:42.484288Z",
"structure_string": "Mg1 Te1 O1\n1.0\n3.217206 -0.000000 -0.000000\n-0.000000 3.217206 -0.000000\n0.000000 0.000000 7.014346\nMg Te O\n1 1 1\ndirect\n0.000000 0.000000 0.440243 Mg\n0.000000 0.000000 -0.021477 Te\n0.000000 0.000000 0.705687 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Te",
"O"
],
"chemical_system": "Mg-O-Te",
"density": 3.840309705903832,
"density_atomic": 0.04132152394863845,
"volume": 72.60138817070057,
"volume_molar": 14.573859297845258,
"formula_full": "Mg1 Te1 O1",
"formula_reduced": "MgTeO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5464601055555558,
"spacegroup": 99
},
{
"id": "jvasp-114575",
"created_at": "2022-09-04T14:38:42.483363Z",
"updated_at": "2022-09-04T14:38:42.483391Z",
"structure_string": "Ba1 I1 O1\n1.0\n6.121102 0.000000 0.000000\n0.000000 6.121102 -0.000000\n0.000000 0.000000 7.768293\nBa I O\n1 1 1\ndirect\n0.000000 0.000000 -0.010918 Ba\n0.000000 0.000000 0.404234 I\n0.000000 0.000000 0.711826 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"I",
"O"
],
"chemical_system": "Ba-I-O",
"density": 1.5987488382297508,
"density_atomic": 0.010307098443900799,
"volume": 291.06154523781066,
"volume_molar": 58.42711984150679,
"formula_full": "Ba1 I1 O1",
"formula_reduced": "BaIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4961872499999999,
"spacegroup": 99
},
{
"id": "jvasp-116315",
"created_at": "2022-09-04T14:38:42.478978Z",
"updated_at": "2022-09-04T14:38:42.479011Z",
"structure_string": "Mg1 Cl3\n1.0\n5.544409 0.567568 -0.125001\n-4.976611 -4.188843 0.348191\n-0.669328 -0.524660 -5.768429\nMg Cl\n1 3\ndirect\n0.873361 0.243885 0.611301 Mg\n-0.124946 0.249222 0.002267 Cl\n0.124944 0.761000 0.456684 Cl\n0.616783 0.733518 0.487021 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.8297397733088216,
"density_atomic": 0.03373216945094021,
"volume": 118.58116643868897,
"volume_molar": 17.852811894469323,
"formula_full": "Mg1 Cl3",
"formula_reduced": "MgCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2085060168749999,
"spacegroup": 1
},
{
"id": "jvasp-111984",
"created_at": "2022-09-04T14:38:42.478076Z",
"updated_at": "2022-09-04T14:38:42.478102Z",
"structure_string": "Ti1 Ni3 P4 O16\n1.0\n5.691368 0.000000 0.000000\n0.000000 4.714317 0.058114\n0.000000 -0.074741 9.679656\nTi Ni P O\n1 3 4 16\ndirect\n0.500000 0.942894 0.728319 Ti\n0.000000 0.062471 0.271267 Ni\n0.000000 0.436997 0.774472 Ni\n0.500000 0.566702 0.228747 Ni\n0.500000 0.113014 0.403765 P\n0.500000 0.370843 0.917981 P\n0.000000 0.614226 0.091830 P\n0.000000 0.901067 0.584855 P\n0.787531 0.752151 0.664530 O\n0.500000 0.791253 0.388910 O\n0.500000 0.685921 0.880005 O\n0.211591 0.771646 0.165621 O\n0.788409 0.771646 0.165621 O\n0.000000 0.674293 0.937005 O\n0.500000 0.320890 0.071818 O\n0.000000 0.219056 0.606614 O\n0.292545 0.216718 0.839803 O\n0.000000 0.291357 0.111076 O\n0.212469 0.752151 0.664530 O\n0.712718 0.270450 0.334348 O\n0.287282 0.270450 0.334348 O\n0.500000 0.164578 0.562220 O\n0.707455 0.216718 0.839803 O\n0.000000 0.822517 0.432508 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Ti",
"density": 3.8603704222768904,
"density_atomic": 0.09240054503336884,
"volume": 259.73872763773005,
"volume_molar": 6.517429911073803,
"formula_full": "Ti1 Ni3 P4 O16",
"formula_reduced": "TiNi3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 2.971165980555556,
"spacegroup": 6
},
{
"id": "jvasp-116507",
"created_at": "2022-09-04T14:38:42.474699Z",
"updated_at": "2022-09-04T14:38:42.474718Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.510073211913051,
"density_atomic": 0.1216531188259732,
"volume": 230.16261539545454,
"volume_molar": 4.950255955718465,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5553188243842366,
"spacegroup": 8
},
{
"id": "jvasp-112590",
"created_at": "2022-09-04T14:38:42.474019Z",
"updated_at": "2022-09-04T14:38:42.474046Z",
"structure_string": "Ho4 Ga12 Pt1\n1.0\n7.022179 -0.000000 -2.482715\n-3.511089 6.081385 -2.482715\n-0.000000 -0.000000 7.448145\nHo Ga Pt\n4 12 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 -0.000000 Ho\n0.500000 0.000000 -0.000000 Ho\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.250000 0.500000 0.750000 Ga\n0.500000 0.250000 0.750000 Ga\n0.500000 0.750001 0.250000 Ga\n0.297528 0.297528 -0.000000 Ga\n0.250000 0.750001 0.500000 Ga\n0.702472 0.000000 0.702472 Ga\n0.297528 0.000000 0.297528 Ga\n0.000000 0.702472 0.702472 Ga\n0.000000 0.297528 0.297528 Ga\n0.702472 0.702472 -0.000001 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Pt"
],
"chemical_system": "Ga-Ho-Pt",
"density": 8.830672448548889,
"density_atomic": 0.053447377948686536,
"volume": 318.0698595976264,
"volume_molar": 11.267420388296136,
"formula_full": "Ho4 Ga12 Pt1",
"formula_reduced": "Ho4Ga12Pt",
"formula_anonymous": "AB4C12",
"energy_above_hull": 0.1807742098039214,
"spacegroup": 229
}
]
}