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=density&page=686",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=684",
"results": [
{
"id": "jvasp-99566",
"created_at": "2022-09-04T14:36:06.928510Z",
"updated_at": "2022-09-04T14:36:06.928531Z",
"structure_string": "Na3 Co1 F6\n1.0\n4.877694 -0.000000 2.816138\n1.625898 4.598734 2.816138\n-0.000000 -0.000000 5.632276\nNa Co F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.750001 Na\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Co\n0.768361 0.231638 0.231639 F\n0.231639 0.768361 0.768363 F\n0.231639 0.768361 0.231639 F\n0.768361 0.231638 0.768363 F\n0.231639 0.231638 0.768362 F\n0.768361 0.768361 0.231640 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Co",
"F"
],
"chemical_system": "Co-F-Na",
"density": 3.1793291236708177,
"density_atomic": 0.0791522436880712,
"volume": 126.33880650823636,
"volume_molar": 7.608300762430035,
"formula_full": "Na3 Co1 F6",
"formula_reduced": "Na3CoF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57322",
"created_at": "2022-09-04T14:37:26.941087Z",
"updated_at": "2022-09-04T14:37:26.941123Z",
"structure_string": "Li2 Ca2 Cr2 F12\n1.0\n2.558332 -4.431162 0.000000\n2.558332 4.431162 0.000000\n0.000000 0.000000 9.811685\nLi Ca Cr F\n2 2 2 12\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.250000 Cr\n0.333333 0.666667 0.750000 Cr\n0.363786 0.014030 0.139798 F\n0.014030 0.363786 0.639798 F\n0.650244 0.014030 0.360202 F\n0.636213 0.985969 0.860202 F\n0.985969 0.636213 0.360202 F\n0.349756 0.985969 0.639798 F\n0.014030 0.650244 0.860202 F\n0.636213 0.650243 0.639798 F\n0.985969 0.349756 0.139798 F\n0.650243 0.636213 0.139798 F\n0.363786 0.349756 0.360202 F\n0.349756 0.363786 0.860202 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F-Li",
"density": 3.179961238501137,
"density_atomic": 0.08091413237236955,
"volume": 222.4580487023379,
"volume_molar": 7.442631569335633,
"formula_full": "Li2 Ca2 Cr2 F12",
"formula_reduced": "LiCaCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.1752277238888892,
"spacegroup": 163
},
{
"id": "jvasp-70783",
"created_at": "2022-09-04T14:36:03.789683Z",
"updated_at": "2022-09-04T14:36:03.789702Z",
"structure_string": "K1 Zr1 Be2\n1.0\n5.322621 0.000000 0.000000\n0.000000 5.322621 0.000000\n0.000000 -0.000000 2.734308\nK Zr Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Zr",
"Be"
],
"chemical_system": "Be-K-Zr",
"density": 3.1800090982554523,
"density_atomic": 0.051637055793564715,
"volume": 77.46375037320585,
"volume_molar": 11.662440213623706,
"formula_full": "K1 Zr1 Be2",
"formula_reduced": "KZrBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.944141175,
"spacegroup": 123
},
{
"id": "jvasp-44074",
"created_at": "2022-09-04T14:38:17.727310Z",
"updated_at": "2022-09-04T14:38:17.727332Z",
"structure_string": "Li4 Fe3 Si3 O12\n1.0\n4.312982 0.004990 0.004571\n-2.150905 -4.903431 0.074909\n-2.144753 0.683281 -11.660274\nLi Fe Si O\n4 3 3 12\ndirect\n0.251116 0.917071 0.579815 Li\n0.754122 0.749308 0.753549 Li\n0.750082 0.422157 0.081918 Li\n0.246098 0.244778 0.251374 Li\n0.501620 0.833508 0.166692 Fe\n0.491699 0.488990 0.496193 Fe\n0.506401 0.177436 0.837116 Fe\n0.995998 0.664798 0.332712 Si\n0.005396 0.333197 0.666663 Si\n0.998569 0.002048 0.000629 Si\n0.866458 0.248176 0.968144 O\n0.343078 0.443043 0.773744 O\n0.337105 0.113532 0.110457 O\n0.650193 0.418623 0.365143 O\n0.113263 0.553422 0.222862 O\n0.108590 0.911885 0.886742 O\n0.888606 0.587772 0.628272 O\n0.896593 0.921417 0.288792 O\n0.309958 0.754684 0.446621 O\n0.126176 0.223370 0.559584 O\n0.686456 0.745514 0.044584 O\n0.672434 0.078606 0.705057 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.180507946425372,
"density_atomic": 0.08936014912203172,
"volume": 246.1947547777302,
"volume_molar": 6.739179398387154,
"formula_full": "Li4 Fe3 Si3 O12",
"formula_reduced": "Li4Fe3(SiO4)3",
"formula_anonymous": "A3B3C4D12",
"energy_above_hull": 2.867868831818181,
"spacegroup": 5
},
{
"id": "jvasp-35954",
"created_at": "2022-09-04T14:38:18.561356Z",
"updated_at": "2022-09-04T14:38:18.561407Z",
"structure_string": "Y4 Mg2 S8\n1.0\n0.000000 5.566515 5.566515\n5.566523 -0.000000 5.566515\n5.566523 5.566515 -0.000000\nY Mg S\n4 2 8\ndirect\n0.624999 0.125000 0.625000 Y\n0.624999 0.625000 0.125000 Y\n0.125000 0.625000 0.625000 Y\n0.624999 0.625000 0.625000 Y\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.379312 0.379317 0.379317 S\n0.862051 0.379317 0.379317 S\n0.379317 0.862052 0.379312 S\n0.379317 0.379312 0.862052 S\n0.870682 0.870687 0.387948 S\n0.870682 0.387948 0.870687 S\n0.387947 0.870682 0.870682 S\n0.870687 0.870682 0.870682 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mg",
"S"
],
"chemical_system": "Mg-S-Y",
"density": 3.180590321830453,
"density_atomic": 0.04058329124663791,
"volume": 344.9695569271952,
"volume_molar": 14.83896592664573,
"formula_full": "Y4 Mg2 S8",
"formula_reduced": "Y2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7481899928571425,
"spacegroup": 227
},
{
"id": "jvasp-7815",
"created_at": "2022-09-04T14:37:04.970569Z",
"updated_at": "2022-09-04T14:37:04.970579Z",
"structure_string": "Be2 Si2 N4\n1.0\n3.731476 -0.000000 -1.642436\n-0.722930 3.660776 -1.642436\n-0.024787 -0.030161 5.003705\nBe Si N\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.499999 Be\n0.500001 0.500001 -0.000000 Si\n0.750000 0.250000 0.499999 Si\n0.379472 0.375000 0.249999 N\n0.870530 0.875001 0.249999 N\n0.125000 0.620530 0.749999 N\n0.625000 0.129471 0.749999 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Si",
"N"
],
"chemical_system": "Be-N-Si",
"density": 3.1808549651871303,
"density_atomic": 0.11767923834607172,
"volume": 67.98140532209733,
"volume_molar": 5.117419898903541,
"formula_full": "Be2 Si2 N4",
"formula_reduced": "BeSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4687603,
"spacegroup": 122
},
{
"id": "jvasp-56345",
"created_at": "2022-09-04T14:37:37.227776Z",
"updated_at": "2022-09-04T14:37:37.227795Z",
"structure_string": "Li2 Mg2 V2 O8\n1.0\n5.161762 0.009923 0.000000\n-2.063135 4.731529 -0.000000\n-0.000000 0.000000 6.244038\nLi Mg V O\n2 2 2 8\ndirect\n0.838319 0.161680 0.250000 Li\n0.161680 0.838320 0.750000 Li\n0.499999 0.500000 0.000000 Mg\n0.499999 0.500000 0.500000 Mg\n0.144994 0.855005 0.250000 V\n0.855004 0.144994 0.750000 V\n0.259025 0.740974 0.472637 O\n0.736282 0.772982 0.750000 O\n0.263717 0.227018 0.250000 O\n0.740973 0.259026 0.972637 O\n0.740973 0.259026 0.527363 O\n0.772981 0.736283 0.250000 O\n0.227017 0.263717 0.750000 O\n0.259025 0.740974 0.027363 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mg",
"V",
"O"
],
"chemical_system": "Li-Mg-O-V",
"density": 3.1809239764149058,
"density_atomic": 0.09172740831736315,
"volume": 152.62613712536267,
"volume_molar": 6.565257724457113,
"formula_full": "Li2 Mg2 V2 O8",
"formula_reduced": "LiMgVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.86653675,
"spacegroup": 63
},
{
"id": "jvasp-113172",
"created_at": "2022-09-04T14:38:46.754144Z",
"updated_at": "2022-09-04T14:38:46.754163Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n5.836435 0.042010 2.430111\n0.738866 6.259239 0.661606\n0.030158 0.076222 6.787829\nLi Fe P O\n2 2 4 14\ndirect\n0.705164 0.011892 0.825341 Li\n0.294836 0.988112 0.174659 Li\n0.097349 0.649995 0.774565 Fe\n0.902652 0.350010 0.225436 Fe\n0.347732 0.396898 0.347552 P\n0.652268 0.603106 0.652449 P\n0.213634 0.133475 0.767877 P\n0.786367 0.866530 0.232123 P\n0.950929 0.668793 0.120262 O\n0.400160 0.584030 0.794844 O\n0.599841 0.415974 0.205156 O\n0.778888 0.397703 0.539472 O\n0.635438 0.785834 0.470923 O\n0.049071 0.331213 0.879739 O\n0.383274 0.039347 0.867494 O\n0.364563 0.214171 0.529077 O\n0.935388 0.028981 0.252685 O\n0.779184 0.691755 0.769628 O\n0.616726 0.960659 0.132507 O\n0.221112 0.602302 0.460529 O\n0.220816 0.308250 0.230372 O\n0.064612 0.971024 0.747315 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.1811211874568355,
"density_atomic": 0.08901675201553856,
"volume": 247.1444924901296,
"volume_molar": 6.765176917428743,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7709019090909086,
"spacegroup": 2
},
{
"id": "jvasp-13754",
"created_at": "2022-09-04T14:38:04.450971Z",
"updated_at": "2022-09-04T14:38:04.450991Z",
"structure_string": "Li1 Ti3 S6\n1.0\n1.712381 -2.965931 0.000000\n1.712381 2.965931 -0.000000\n-0.000000 -0.000000 17.623019\nLi Ti S\n1 3 6\ndirect\n-0.000000 0.000000 0.500000 Li\n-0.000000 0.000000 0.322157 Ti\n-0.000000 0.000000 0.677843 Ti\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.756195 S\n0.333333 0.666667 0.243805 S\n0.333333 0.666667 0.919637 S\n0.666667 0.333333 0.080363 S\n0.333333 0.666667 0.591770 S\n0.666667 0.333333 0.408230 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ti",
"S"
],
"chemical_system": "Li-S-Ti",
"density": 3.181158886413422,
"density_atomic": 0.05586351405096889,
"volume": 179.00771496179377,
"volume_molar": 10.780096566258802,
"formula_full": "Li1 Ti3 S6",
"formula_reduced": "Li(TiS2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.6719775,
"spacegroup": 164
},
{
"id": "jvasp-112230",
"created_at": "2022-09-04T14:38:43.913680Z",
"updated_at": "2022-09-04T14:38:43.913693Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.254708 -0.330059 -0.265821\n-1.608486 4.735076 0.003234\n0.011922 0.287163 10.195558\nH Pb C S O\n8 1 6 1 4\ndirect\n0.269426 0.283884 0.316869 H\n0.639459 0.300768 0.409554 H\n0.251661 0.705649 0.432512 H\n0.214924 0.406036 0.536152 H\n0.077505 0.713075 0.740231 H\n0.844722 0.410763 0.637720 H\n0.316773 0.308886 0.761744 H\n0.666338 0.285962 0.855659 H\n0.283627 0.972124 0.086862 Pb\n0.553287 0.645184 0.904686 C\n0.574961 0.439792 0.802584 C\n0.823829 0.582390 0.696470 C\n0.717897 0.640313 0.267101 C\n0.504862 0.434824 0.369370 C\n0.389756 0.577960 0.475869 C\n0.722292 0.831795 0.584868 S\n0.793240 0.895201 0.922121 O\n0.712747 0.892200 0.250385 O\n0.289029 0.555516 0.973184 O\n0.897577 0.549565 0.198184 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-Pb-S",
"density": 3.181192873606591,
"density_atomic": 0.09993779329738026,
"volume": 200.1244908468904,
"volume_molar": 6.025889267016529,
"formula_full": "H8 Pb1 C6 S1 O4",
"formula_reduced": "H8PbC6SO4",
"formula_anonymous": "ABC4D6E8",
"energy_above_hull": 4.308667241,
"spacegroup": 1
},
{
"id": "jvasp-9076",
"created_at": "2022-09-04T14:37:27.179628Z",
"updated_at": "2022-09-04T14:37:27.179650Z",
"structure_string": "Sr5 Al9\n1.0\n5.707670 0.001721 10.977701\n2.684672 5.036868 10.977701\n0.002866 0.001721 12.372850\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216635 0.216635 0.216635 Sr\n0.783365 0.783365 0.783365 Sr\n0.316633 0.316633 0.316633 Sr\n0.683367 0.683367 0.683366 Sr\n0.000000 0.000000 0.000000 Al\n0.124675 0.124675 0.124675 Al\n0.875326 0.875325 0.875325 Al\n0.237379 0.723251 0.237379 Al\n0.237379 0.237379 0.723250 Al\n0.723251 0.237379 0.237379 Al\n0.276750 0.762621 0.762621 Al\n0.762622 0.276749 0.762621 Al\n0.762621 0.762621 0.276749 Al\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"Al"
],
"chemical_system": "Al-Sr",
"density": 3.1812508777771975,
"density_atomic": 0.039388726117913615,
"volume": 355.43165214558525,
"volume_molar": 15.288995998429074,
"formula_full": "Sr5 Al9",
"formula_reduced": "Sr5Al9",
"formula_anonymous": "A5B9",
"energy_above_hull": 1.0676461964285715,
"spacegroup": 166
},
{
"id": "jvasp-51701",
"created_at": "2022-09-04T14:38:26.789838Z",
"updated_at": "2022-09-04T14:38:26.789867Z",
"structure_string": "Ba2 H10 Cl2 O6\n1.0\n4.532074 -0.000000 -0.000000\n0.000000 4.532074 0.000000\n0.000000 -0.000000 11.476453\nBa H Cl O\n2 10 2 6\ndirect\n0.500000 0.000000 0.818969 Ba\n0.000000 0.500000 0.181031 Ba\n0.500000 0.000000 0.519949 H\n0.000000 0.500000 0.480051 H\n0.500000 0.317935 0.375407 H\n0.182064 0.000000 0.375407 H\n0.500000 0.682064 0.375407 H\n0.000000 0.817935 0.624593 H\n0.000000 0.182064 0.624593 H\n0.317935 0.500000 0.624593 H\n0.682064 0.500000 0.624593 H\n0.817935 0.000000 0.375407 H\n0.000000 0.500000 0.903453 Cl\n0.500000 0.000000 0.096546 Cl\n0.000000 0.500000 0.564895 O\n0.500000 0.500000 0.676930 O\n0.000000 0.000000 0.676930 O\n0.000000 0.000000 0.323070 O\n0.500000 0.500000 0.323070 O\n0.500000 0.000000 0.435105 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"H",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-H-O",
"density": 3.1815282962318525,
"density_atomic": 0.08484540525109986,
"volume": 235.72284133489643,
"volume_molar": 7.097780654329463,
"formula_full": "Ba2 H10 Cl2 O6",
"formula_reduced": "BaH5ClO3",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.23823805375,
"spacegroup": 129
}
]
}