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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4367",
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"results": [
{
"id": "jvasp-48548",
"created_at": "2022-09-04T14:37:02.696048Z",
"updated_at": "2022-09-04T14:37:02.696070Z",
"structure_string": "Li3 V1 O3 F2\n1.0\n-3.551133 0.072439 0.532298\n1.604404 4.840224 -1.377210\n0.946268 -1.172596 -5.119167\nLi V O F\n3 1 3 2\ndirect\n0.168167 0.779900 0.533755 Li\n0.666024 0.442957 0.903449 Li\n0.819317 0.249442 0.405506 Li\n-0.008923 0.009309 -0.030441 V\n0.054927 0.306785 0.805769 O\n0.530669 0.006039 0.054180 O\n0.758297 0.782408 0.718568 O\n0.247439 0.123743 0.380546 F\n0.910344 0.585683 0.234924 F\n",
"nsites": 9,
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"elements": [
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"density": 2.885544961850184,
"density_atomic": 0.09913470508943119,
"volume": 90.78556285491483,
"volume_molar": 6.074704872090273,
"formula_full": "Li3 V1 O3 F2",
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{
"id": "jvasp-13375",
"created_at": "2022-09-04T14:37:03.405502Z",
"updated_at": "2022-09-04T14:37:03.405529Z",
"structure_string": "Na4 C2 O5\n1.0\n5.007544 -0.173575 0.246357\n2.328910 4.436418 0.246357\n0.733463 0.426178 5.976847\nNa C O\n4 2 5\ndirect\n0.006094 0.006094 0.009605 Na\n0.334578 0.334579 0.729239 Na\n0.668201 0.668201 0.269342 Na\n0.999505 0.999505 0.502115 Na\n0.317440 0.317440 0.245231 C\n0.660553 0.660553 0.762242 C\n0.183863 0.597639 0.285367 O\n0.597638 0.183863 0.285367 O\n0.387127 0.808201 0.715221 O\n0.808200 0.387127 0.715221 O\n0.785792 0.785793 0.853060 O\n",
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],
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"volume": 134.0808452808896,
"volume_molar": 7.340488395466354,
"formula_full": "Na4 C2 O5",
"formula_reduced": "Na4C2O5",
"formula_anonymous": "A2B4C5",
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"spacegroup": 8
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{
"id": "jvasp-8812",
"created_at": "2022-09-04T14:37:05.663529Z",
"updated_at": "2022-09-04T14:37:05.663560Z",
"structure_string": "K1 N1 O2\n1.0\n4.393646 -0.218195 -0.478745\n1.438394 3.753308 -0.038907\n1.141507 1.075989 4.137650\nK N O\n1 1 2\ndirect\n0.015646 0.964444 0.015646 K\n0.496051 0.558602 0.496051 N\n0.405876 0.404478 0.776427 O\n0.776428 0.404477 0.405876 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"chemical_system": "K-N-O",
"density": 1.989410780758056,
"density_atomic": 0.056310114262003434,
"volume": 71.03519593990761,
"volume_molar": 10.694598721607603,
"formula_full": "K1 N1 O2",
"formula_reduced": "KNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0070070625,
"spacegroup": 8
},
{
"id": "jvasp-48163",
"created_at": "2022-09-04T14:37:06.710594Z",
"updated_at": "2022-09-04T14:37:06.710620Z",
"structure_string": "Li3 Fe3 Co1 O8\n1.0\n-4.866160 0.000024 -0.021238\n-0.000051 -5.636979 -0.000819\n1.598479 2.818040 4.755136\nLi Fe Co O\n3 3 1 8\ndirect\n0.498618 0.748061 0.996112 Li\n0.998135 0.013993 0.000272 Li\n0.998146 0.486284 0.000286 Li\n0.495285 0.243189 0.498977 Fe\n0.495286 0.755785 0.498976 Fe\n0.013246 0.001816 0.503637 Fe\n0.993230 0.499195 0.498393 Co\n0.765293 0.136463 0.289355 O\n0.765294 0.652876 0.289355 O\n0.256152 0.881648 0.263313 O\n0.257762 0.395883 0.291782 O\n0.728369 0.607182 0.714352 O\n0.751379 0.108541 0.717071 O\n0.236008 0.364619 0.716421 O\n0.236009 0.851813 0.716421 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.785102587597729,
"density_atomic": 0.11517828141696479,
"volume": 130.2328860568554,
"volume_molar": 5.228538476102831,
"formula_full": "Li3 Fe3 Co1 O8",
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"formula_anonymous": "AB3C3D8",
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"spacegroup": 8
},
{
"id": "jvasp-101798",
"created_at": "2022-09-04T14:37:06.779302Z",
"updated_at": "2022-09-04T14:37:06.779321Z",
"structure_string": "H16 C20 S4\n1.0\n4.672285 -0.047352 -0.150483\n-1.002892 8.226195 -2.598129\n-0.032376 -0.007258 10.753478\nH C S\n16 20 4\ndirect\n0.620771 0.882831 0.854226 H\n0.160768 0.511884 0.056157 H\n0.660770 0.511882 0.556159 H\n0.910769 0.011883 0.306158 H\n0.966516 0.085577 0.597117 H\n0.466511 0.085581 0.097116 H\n0.716513 0.585579 0.847116 H\n0.216513 0.585579 0.347116 H\n0.410768 0.011882 0.806159 H\n0.845802 0.338458 0.223554 H\n0.095803 0.838456 0.973553 H\n0.595803 0.838456 0.473554 H\n0.370769 0.382832 0.104226 H\n0.870773 0.382830 0.604226 H\n0.120769 0.882832 0.354226 H\n0.345804 0.338454 0.723553 H\n0.465534 0.802193 0.656045 C\n0.965534 0.802194 0.156044 C\n0.715534 0.302193 0.406045 C\n0.215532 0.302193 0.906044 C\n0.838857 0.438267 0.525252 C\n0.088855 0.938268 0.275252 C\n0.338855 0.438268 0.025252 C\n0.851523 0.059513 0.784705 C\n0.588856 0.938267 0.775252 C\n0.351521 0.059514 0.284704 C\n0.002333 0.129127 0.703421 C\n0.101522 0.559513 0.534705 C\n0.209741 0.267405 0.772560 C\n0.709740 0.267407 0.272560 C\n0.959742 0.767407 0.022560 C\n0.459740 0.767406 0.522560 C\n0.502332 0.129129 0.203421 C\n0.752332 0.629128 0.953421 C\n0.252333 0.629128 0.453421 C\n0.601522 0.559514 0.034705 C\n0.471685 0.161725 0.445515 S\n0.221685 0.661725 0.695516 S\n0.721685 0.661727 0.195516 S\n0.971684 0.161727 0.945516 S\n",
"nsites": 40,
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"elements": [
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"S"
],
"chemical_system": "C-H-S",
"density": 1.5476025201545962,
"density_atomic": 0.09693036940433096,
"volume": 412.6673636530344,
"volume_molar": 6.212852377441702,
"formula_full": "H16 C20 S4",
"formula_reduced": "H4C5S",
"formula_anonymous": "AB4C5",
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"spacegroup": 8
},
{
"id": "jvasp-34197",
"created_at": "2022-09-04T14:37:07.651867Z",
"updated_at": "2022-09-04T14:37:07.651892Z",
"structure_string": "K1 N1 O2\n1.0\n-4.409933 -0.220390 -0.070079\n-0.402459 -4.398202 -0.073411\n1.125710 1.078095 3.707755\nK N O\n1 1 2\ndirect\n0.008997 0.009050 0.042454 K\n0.489947 0.489879 0.447545 N\n0.399093 0.769919 0.601859 O\n0.769962 0.399154 0.602144 O\n",
"nsites": 4,
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"elements": [
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"N",
"O"
],
"chemical_system": "K-N-O",
"density": 1.9921212132267552,
"density_atomic": 0.05638683283791954,
"volume": 70.938547151562,
"volume_molar": 10.680047906415087,
"formula_full": "K1 N1 O2",
"formula_reduced": "KNO2",
"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-8644",
"created_at": "2022-09-04T14:37:07.861537Z",
"updated_at": "2022-09-04T14:37:07.861554Z",
"structure_string": "Li1 Ni1 O2\n1.0\n2.823704 -0.002662 0.001970\n-1.409399 2.634696 0.022789\n-0.007486 -0.278027 4.956092\nLi Ni O\n1 1 2\ndirect\n0.663314 0.327645 0.596956 Li\n0.995110 0.989881 0.029435 Ni\n0.350010 0.700280 0.801560 O\n0.658260 0.315699 0.221248 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.3969984382172775,
"density_atomic": 0.10848499701165301,
"volume": 36.8714578991078,
"volume_molar": 5.551127737371027,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-42693",
"created_at": "2022-09-04T14:37:07.827817Z",
"updated_at": "2022-09-04T14:37:07.827832Z",
"structure_string": "Li1 Ti1 V2 O6\n1.0\n-2.954347 0.001407 -0.002180\n-0.003202 -5.817491 0.060211\n1.473629 1.357501 6.046045\nLi Ti V O\n1 1 2 6\ndirect\n0.670368 0.836149 0.340163 Li\n0.351511 0.632131 0.703070 Ti\n0.989775 0.036475 0.979626 V\n0.659764 0.334137 0.319613 V\n0.499917 0.796537 -0.000151 O\n0.827479 0.415887 0.654997 O\n0.152271 0.097373 0.304567 O\n0.838481 0.869280 0.677047 O\n0.179312 0.568405 0.358723 O\n0.497190 0.251601 -0.005525 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ti",
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"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.029334100414691,
"density_atomic": 0.09602859948755174,
"volume": 104.13564347875663,
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"formula_full": "Li1 Ti1 V2 O6",
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"spacegroup": 8
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{
"id": "jvasp-30505",
"created_at": "2022-09-04T14:37:07.865916Z",
"updated_at": "2022-09-04T14:37:07.865939Z",
"structure_string": "Ag2 H2 O4\n1.0\n-3.277531 -0.055938 -1.200283\n0.115990 0.016918 -5.549758\n-1.609154 -5.274474 -0.708367\nAg H O\n2 2 4\ndirect\n0.842213 0.172047 0.997969 Ag\n0.843405 0.673758 0.496808 Ag\n0.273683 0.700090 0.024013 H\n0.831581 0.643664 0.968480 H\n0.966302 0.796554 0.120966 O\n0.186072 0.231356 0.375411 O\n0.726225 0.546603 0.871404 O\n0.183904 0.050981 0.555897 O\n",
"nsites": 8,
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"density_atomic": 0.08318010981236897,
"volume": 96.17683864623118,
"volume_molar": 7.23988075224265,
"formula_full": "Ag2 H2 O4",
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},
{
"id": "jvasp-29843",
"created_at": "2022-09-04T14:37:07.931459Z",
"updated_at": "2022-09-04T14:37:07.931475Z",
"structure_string": "Al2 H6 O6\n1.0\n5.119305 -0.122094 -0.010031\n-2.663238 4.373584 -0.010455\n-0.009419 -0.015466 4.674709\nAl H O\n2 6 6\ndirect\n0.357802 0.682598 0.981172 Al\n0.683785 0.356618 0.981166 Al\n0.572161 0.017954 0.567086 H\n0.178919 0.177759 0.736252 H\n0.019130 0.570938 0.567088 H\n0.187657 0.966429 0.260902 H\n0.603771 0.602565 0.402421 H\n0.967641 0.186445 0.260844 H\n0.652879 0.022413 0.761398 O\n0.377609 0.376431 0.765121 O\n0.023594 0.651683 0.761385 O\n0.394777 0.011746 0.216954 O\n0.672043 0.670849 0.204059 O\n0.012951 0.393583 0.216966 O\n",
"nsites": 14,
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"volume": 103.14366116915197,
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"formula_full": "Al2 H6 O6",
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"spacegroup": 8
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{
"id": "jvasp-5317",
"created_at": "2022-09-04T14:37:07.995520Z",
"updated_at": "2022-09-04T14:37:07.995558Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038860 -0.393096 -0.042230\n-0.084474 4.319007 1.741315\n-0.542975 0.467193 4.602179\nCu C O\n1 1 3\ndirect\n0.463333 0.434879 0.434880 Cu\n0.110538 0.021807 0.021807 C\n0.385619 0.155053 0.155054 O\n0.977757 0.171094 0.707166 O\n0.977757 0.707164 0.171096 O\n",
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],
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"volume": 58.05221906185421,
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{
"id": "jvasp-77050",
"created_at": "2022-09-04T14:37:08.190462Z",
"updated_at": "2022-09-04T14:37:08.190488Z",
"structure_string": "Ag1 Br1 O2\n1.0\n-0.178555 3.809150 -2.189504\n-5.157846 -0.037256 -0.021235\n-0.020674 0.007372 4.425850\nAg Br O\n1 1 2\ndirect\n0.553872 0.867195 0.656498 Ag\n0.886608 0.999773 0.320318 Br\n0.298523 0.503286 0.019338 O\n0.976313 0.470893 0.864160 O\n",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Ag1 Br1 O2",
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"spacegroup": 8
}
]
}