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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1192",
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"results": [
{
"id": "jvasp-111672",
"created_at": "2022-09-04T14:38:37.909238Z",
"updated_at": "2022-09-04T14:38:37.909260Z",
"structure_string": "Pr4 Mg2 Ir2 O12\n1.0\n5.728567 0.000000 0.000000\n0.000000 4.519007 3.179031\n0.000000 -0.011216 9.640763\nPr Mg Ir O\n4 2 2 12\ndirect\n0.556799 0.235303 0.750618 Pr\n0.943202 0.235304 0.250618 Pr\n0.443202 0.764696 0.249381 Pr\n0.056798 0.764696 0.749381 Pr\n0.500000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.206941 0.253088 0.047764 O\n0.293059 0.253088 0.547764 O\n0.476187 0.659072 0.750960 O\n0.023813 0.659072 0.250960 O\n0.523813 0.340928 0.249040 O\n0.704353 0.156131 0.047469 O\n0.295648 0.843868 0.952531 O\n0.204353 0.843869 0.452531 O\n0.706941 0.746912 0.452236 O\n0.795648 0.156131 0.547469 O\n0.976188 0.340928 0.749040 O\n0.793059 0.746912 0.952236 O\n",
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{
"id": "jvasp-36380",
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"structure_string": "Rh1 C1\n1.0\n2.294126 2.294126 0.000000\n2.294126 0.000000 -2.294126\n-0.000000 2.294126 -2.294126\nRh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.750001 0.750001 0.750001 C\n",
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"spacegroup": 216
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{
"id": "jvasp-77513",
"created_at": "2022-09-04T14:37:12.226805Z",
"updated_at": "2022-09-04T14:37:12.226825Z",
"structure_string": "Be2 Zn1 Pt1\n1.0\n-8.972098 -0.000000 -5.180044\n-5.642656 -0.984772 -0.586719\n-4.407359 2.509178 -2.726317\nBe Zn Pt\n2 1 1\ndirect\n0.722622 0.000001 0.000001 Be\n0.277376 0.000001 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.499999 0.000001 0.000000 Pt\n",
"nsites": 4,
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"density_atomic": 0.06834443628929039,
"volume": 58.52707575300906,
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"formula_full": "Be2 Zn1 Pt1",
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"spacegroup": 71
},
{
"id": "jvasp-23481",
"created_at": "2022-09-04T14:37:33.480896Z",
"updated_at": "2022-09-04T14:37:33.480923Z",
"structure_string": "Zr4 In8\n1.0\n4.364946 -0.000000 -0.694081\n-0.110367 4.363550 -0.694081\n0.013295 0.013636 14.155818\nZr In\n4 8\ndirect\n0.701932 0.951934 0.903867 Zr\n0.451933 0.201933 0.403866 Zr\n0.298068 0.048067 0.096134 Zr\n0.548067 0.798068 0.596134 Zr\n0.875570 0.125570 0.251139 In\n0.625569 0.375570 0.751139 In\n0.124429 0.874431 0.748861 In\n0.374430 0.624431 0.248861 In\n0.036786 0.286788 0.573574 In\n0.786787 0.536787 0.073574 In\n0.963213 0.713213 0.426426 In\n0.213212 0.463214 0.926426 In\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.90201411345326,
"density_atomic": 0.044493275536215675,
"volume": 269.70367668778397,
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"formula_full": "Zr4 In8",
"formula_reduced": "ZrIn2",
"formula_anonymous": "AB2",
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"spacegroup": 141
},
{
"id": "jvasp-16230",
"created_at": "2022-09-04T14:36:31.541627Z",
"updated_at": "2022-09-04T14:36:31.541656Z",
"structure_string": "Nb2 Ni2 B2\n1.0\n3.079449 0.000000 -0.000000\n-0.000000 3.221218 -0.782672\n0.000000 -0.031855 6.888965\nNb Ni B\n2 2 2\ndirect\n0.250000 0.900912 0.801820 Nb\n0.750000 0.099091 0.198180 Nb\n0.750000 0.295092 0.590182 Ni\n0.250000 0.704910 0.409818 Ni\n0.250000 0.533616 0.067231 B\n0.750000 0.466386 0.932769 B\n",
"nsites": 6,
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"density": 7.901964048058213,
"density_atomic": 0.08790070424077316,
"volume": 68.25883878660521,
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"formula_full": "Nb2 Ni2 B2",
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{
"id": "jvasp-81890",
"created_at": "2022-09-04T14:36:49.792297Z",
"updated_at": "2022-09-04T14:36:49.792318Z",
"structure_string": "Be2 Zn1 Pt1\n1.0\n-8.972902 0.000000 -5.180508\n-5.643039 -0.984773 -0.586985\n-4.407754 2.509141 -2.726561\nBe Zn Pt\n2 1 1\ndirect\n0.722632 -0.000001 -0.000000 Be\n0.277369 -0.000000 -0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000001 -0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.901704642693361,
"density_atomic": 0.06834069795187253,
"volume": 58.53027727075474,
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"formula_full": "Be2 Zn1 Pt1",
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"spacegroup": 71
},
{
"id": "jvasp-102622",
"created_at": "2022-09-04T14:36:50.301397Z",
"updated_at": "2022-09-04T14:36:50.301418Z",
"structure_string": "Nd4 Ge4 Ru2\n1.0\n5.328305 -0.004342 2.763368\n3.558079 3.966223 2.763368\n-0.007386 -0.003293 10.624468\nNd Ge Ru\n4 4 2\ndirect\n0.003835 0.003835 0.325988 Nd\n-0.003836 -0.003835 0.674012 Nd\n0.815132 0.815132 0.108552 Nd\n0.184867 0.184868 0.891449 Nd\n0.654473 0.654474 0.431558 Ge\n0.345526 0.345527 0.568443 Ge\n0.505848 0.505849 0.127784 Ge\n0.494150 0.494152 0.872217 Ge\n0.723957 0.723958 0.624038 Ru\n0.276042 0.276042 0.375963 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Ru"
],
"chemical_system": "Ge-Nd-Ru",
"density": 7.901682996157799,
"density_atomic": 0.04448580985895173,
"volume": 224.79078231252507,
"volume_molar": 13.537217326365443,
"formula_full": "Nd4 Ge4 Ru2",
"formula_reduced": "Nd2Ge2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8474090800000005,
"spacegroup": 12
},
{
"id": "jvasp-18323",
"created_at": "2022-09-04T14:38:10.242878Z",
"updated_at": "2022-09-04T14:38:10.242902Z",
"structure_string": "La1 Bi1\n1.0\n4.064675 0.000000 2.346741\n1.354892 3.832212 2.346741\n0.000000 0.000000 4.693483\nLa Bi\n1 1\ndirect\n0.500001 0.500000 0.499999 La\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Bi-La",
"density": 7.901604442587431,
"density_atomic": 0.02735642824443951,
"volume": 73.10895933231056,
"volume_molar": 22.01362219581449,
"formula_full": "La1 Bi1",
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"spacegroup": 225
},
{
"id": "jvasp-35602",
"created_at": "2022-09-04T14:37:33.197669Z",
"updated_at": "2022-09-04T14:37:33.197695Z",
"structure_string": "Cr6 Co2\n1.0\n2.530722 -4.383339 0.000000\n2.530722 4.383339 -0.000000\n-0.000000 0.000000 4.071630\nCr Co\n6 2\ndirect\n0.669461 0.834730 0.250000 Cr\n0.330538 0.165269 0.750000 Cr\n0.165269 0.834731 0.250000 Cr\n0.834731 0.165269 0.750000 Cr\n0.165269 0.330538 0.250000 Cr\n0.834730 0.669461 0.750000 Cr\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"volume": 90.333284488327,
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"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-15015",
"created_at": "2022-09-04T14:36:34.480200Z",
"updated_at": "2022-09-04T14:36:34.480223Z",
"structure_string": "Tb1 Ga2\n1.0\n2.100658 -3.638446 0.000000\n2.100658 3.638446 -0.000000\n0.000000 0.000000 4.102022\nTb Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666668 0.500000 Ga\n0.666668 0.333333 0.500000 Ga\n",
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"formula_full": "Tb1 Ga2",
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"formula_anonymous": "AB2",
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},
{
"id": "jvasp-40779",
"created_at": "2022-09-04T14:37:49.224396Z",
"updated_at": "2022-09-04T14:37:49.224416Z",
"structure_string": "V1 Sn1 Pd1\n1.0\n3.763221 -0.000000 2.172696\n1.254407 3.547999 2.172696\n0.000000 0.000000 4.345393\nV Sn Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
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"elements": [
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"volume": 58.01927167647224,
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"formula_full": "V1 Sn1 Pd1",
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},
{
"id": "jvasp-27278",
"created_at": "2022-09-04T14:38:31.646082Z",
"updated_at": "2022-09-04T14:38:31.646108Z",
"structure_string": "Mg4 B8 Ru10\n1.0\n2.963895 0.000000 0.000000\n0.000000 8.417643 -0.000000\n0.000000 -0.000000 10.061681\nMg B Ru\n4 8 10\ndirect\n0.499999 0.648128 0.815524 Mg\n0.499999 0.351871 0.184476 Mg\n0.499999 0.148129 0.684476 Mg\n0.499999 0.851871 0.315524 Mg\n0.499999 0.539504 0.411225 B\n0.499999 0.039504 0.088775 B\n0.499999 0.960495 0.911225 B\n0.499999 0.460495 0.588775 B\n0.499999 0.352070 0.897259 B\n0.499999 0.147930 0.397259 B\n0.499999 0.852070 0.602741 B\n0.499999 0.647930 0.102741 B\n0.000000 0.156223 0.952077 Ru\n0.000000 0.395164 0.737704 Ru\n0.000000 0.604836 0.262296 Ru\n0.000000 0.895164 0.762296 Ru\n0.000000 0.104836 0.237704 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.656222 0.547923 Ru\n0.000000 0.343777 0.452077 Ru\n0.000000 0.843777 0.047923 Ru\n",
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"formula_full": "Mg4 B8 Ru10",
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]
}