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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3572",
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"results": [
{
"id": "jvasp-15388",
"created_at": "2022-09-04T14:37:03.796006Z",
"updated_at": "2022-09-04T14:37:03.796024Z",
"structure_string": "Tb1 Si2 Ni2\n1.0\n3.729464 -0.000000 -1.429177\n-0.547679 3.689031 -1.429177\n-0.015404 -0.017859 5.540443\nTb Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.627480 0.627480 0.254961 Si\n0.372520 0.372519 0.745037 Si\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n",
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"elements": [
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{
"id": "jvasp-15112",
"created_at": "2022-09-04T14:37:03.494763Z",
"updated_at": "2022-09-04T14:37:03.494777Z",
"structure_string": "Sr1 Mn2 Sb2\n1.0\n2.221383 -3.847547 -0.000000\n2.221383 3.847547 0.000000\n-0.000000 -0.000000 7.906122\nSr Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.611566 Mn\n0.666666 0.333332 0.388434 Mn\n0.333332 0.666666 0.269530 Sb\n0.666666 0.333332 0.730470 Sb\n",
"nsites": 5,
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"volume": 135.14528080410722,
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"formula_full": "Sr1 Mn2 Sb2",
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{
"id": "jvasp-4050",
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"updated_at": "2022-09-04T14:37:04.185125Z",
"structure_string": "Ca1 Mg2 Bi2\n1.0\n2.384272 -4.129680 0.000000\n2.384272 4.129680 0.000000\n0.000000 0.000000 7.698576\nCa Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.628554 Mg\n0.333333 0.666667 0.371447 Mg\n0.333333 0.666667 0.761603 Bi\n0.666667 0.333333 0.238397 Bi\n",
"nsites": 5,
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"elements": [
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"Mg",
"Bi"
],
"chemical_system": "Bi-Ca-Mg",
"density": 5.5493679252084815,
"density_atomic": 0.03298051311498572,
"volume": 151.60467584502484,
"volume_molar": 18.259693956258232,
"formula_full": "Ca1 Mg2 Bi2",
"formula_reduced": "Ca(MgBi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-15123",
"created_at": "2022-09-04T14:36:58.039007Z",
"updated_at": "2022-09-04T14:36:58.039035Z",
"structure_string": "Nd1 Mn2 Si2\n1.0\n3.746368 0.000000 -1.331660\n-0.473343 3.716345 -1.331660\n0.009014 0.010236 5.961032\nNd Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750002 0.500000 Mn\n0.750000 0.250001 0.500000 Mn\n0.625709 0.625710 0.251418 Si\n0.374291 0.374293 0.748582 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Mn",
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],
"chemical_system": "Mn-Nd-Si",
"density": 6.200598373923914,
"density_atomic": 0.06017110723567679,
"volume": 83.09636019187941,
"volume_molar": 10.00835955438317,
"formula_full": "Nd1 Mn2 Si2",
"formula_reduced": "Nd(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.386234636551724,
"spacegroup": 139
},
{
"id": "jvasp-15283",
"created_at": "2022-09-04T14:36:57.368600Z",
"updated_at": "2022-09-04T14:36:57.368633Z",
"structure_string": "Ho1 Si2 Rh2\n1.0\n3.800845 0.000000 -1.435934\n-0.542486 3.761932 -1.435934\n-0.000612 -0.000706 5.746669\nHo Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.621216 0.621217 0.242436 Si\n0.378782 0.378781 0.757565 Si\n0.249999 0.749999 0.500000 Rh\n0.749999 0.249999 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
"Rh"
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"chemical_system": "Ho-Rh-Si",
"density": 8.628220783355172,
"density_atomic": 0.06085600912580678,
"volume": 82.16115502519348,
"volume_molar": 9.89572081131793,
"formula_full": "Ho1 Si2 Rh2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6540177533333327,
"spacegroup": 139
},
{
"id": "jvasp-2733",
"created_at": "2022-09-04T14:37:02.468955Z",
"updated_at": "2022-09-04T14:37:02.468976Z",
"structure_string": "Li2 Ce1 As2\n1.0\n2.123747 -3.678438 0.000000\n2.123747 3.678438 0.000000\n0.000000 0.000000 6.842512\nLi Ce As\n2 1 2\ndirect\n0.666668 0.333334 0.623089 Li\n0.333334 0.666668 0.376911 Li\n0.000000 0.000000 0.000000 Ce\n0.666668 0.333334 0.234374 As\n0.333334 0.666668 0.765626 As\n",
"nsites": 5,
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"elements": [
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"Ce",
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"density": 4.719369460873618,
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"volume": 106.90838825516042,
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"formula_full": "Li2 Ce1 As2",
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"spacegroup": 164
},
{
"id": "jvasp-107146",
"created_at": "2022-09-04T14:36:57.456410Z",
"updated_at": "2022-09-04T14:36:57.456426Z",
"structure_string": "Ca4 W2 N4\n1.0\n4.836463 -0.011631 -1.939564\n-2.753707 5.618159 0.053658\n-0.037003 -0.029326 6.611922\nCa W N\n4 2 4\ndirect\n0.096386 0.423384 0.781721 Ca\n0.903614 0.576615 0.218279 Ca\n0.288493 0.219323 0.339442 Ca\n0.711507 0.780677 0.660558 Ca\n0.426846 0.068159 0.809162 W\n0.573153 0.931840 0.190838 W\n0.585270 0.393597 0.776323 N\n0.414729 0.606402 0.223677 N\n0.188858 0.788654 0.605657 N\n0.811141 0.211345 0.394343 N\n",
"nsites": 10,
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"elements": [
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"W",
"N"
],
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"density": 5.4209703158652225,
"density_atomic": 0.05589862228613829,
"volume": 178.89528562638287,
"volume_molar": 10.773325913424824,
"formula_full": "Ca4 W2 N4",
"formula_reduced": "Ca2WN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.535341467999999,
"spacegroup": 2
},
{
"id": "jvasp-2838",
"created_at": "2022-09-04T14:36:57.781458Z",
"updated_at": "2022-09-04T14:36:57.781479Z",
"structure_string": "K2 Pt1 Se2\n1.0\n3.624040 -0.000000 1.116782\n1.335964 5.853248 2.103228\n0.023756 0.019423 6.361442\nK Pt Se\n2 1 2\ndirect\n0.200316 0.299684 0.299684 K\n0.799684 0.700316 0.700316 K\n0.000000 0.000000 0.000000 Pt\n0.499999 0.775069 0.224931 Se\n0.500001 0.224930 0.775069 Se\n",
"nsites": 5,
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"elements": [
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"Pt",
"Se"
],
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"density": 5.317002386822863,
"density_atomic": 0.03712858563481659,
"volume": 134.6671281577543,
"volume_molar": 16.219688030219114,
"formula_full": "K2 Pt1 Se2",
"formula_reduced": "K2PtSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5603788266666665,
"spacegroup": 71
},
{
"id": "jvasp-2220",
"created_at": "2022-09-04T14:37:02.327412Z",
"updated_at": "2022-09-04T14:37:02.327432Z",
"structure_string": "Nd2 S1 O2\n1.0\n1.987647 -3.442705 0.000000\n1.987647 3.442705 0.000000\n0.000000 0.000000 6.838109\nNd S O\n2 1 2\ndirect\n0.333333 0.666668 0.720140 Nd\n0.666668 0.333333 0.279860 Nd\n0.000000 0.000000 0.000000 S\n0.666668 0.333333 0.629647 O\n0.333333 0.666668 0.370354 O\n",
"nsites": 5,
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"elements": [
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"S",
"O"
],
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"density": 6.255499931415623,
"density_atomic": 0.0534275084459096,
"volume": 93.58474960632006,
"volume_molar": 11.271610702372278,
"formula_full": "Nd2 S1 O2",
"formula_reduced": "Nd2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4692259999999997,
"spacegroup": 164
},
{
"id": "jvasp-106634",
"created_at": "2022-09-04T14:36:56.634717Z",
"updated_at": "2022-09-04T14:36:56.634746Z",
"structure_string": "Pr4 Mg2 Si4\n1.0\n7.413635 -0.000000 0.000000\n0.000000 7.413635 0.000000\n0.000000 -0.000000 4.415634\nPr Mg Si\n4 2 4\ndirect\n0.680437 0.180437 0.500000 Pr\n0.319564 0.819564 0.500000 Pr\n0.180437 0.319564 0.500000 Pr\n0.819564 0.680437 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115174 0.615174 -0.000000 Si\n0.884827 0.384826 -0.000000 Si\n0.615174 0.884827 -0.000000 Si\n0.384826 0.115174 -0.000000 Si\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.957714675849562,
"density_atomic": 0.0412044888135617,
"volume": 242.69200487468936,
"volume_molar": 14.615254146819856,
"formula_full": "Pr4 Mg2 Si4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-18804",
"created_at": "2022-09-04T14:36:50.500440Z",
"updated_at": "2022-09-04T14:36:50.500462Z",
"structure_string": "Ba1 Al2 Ge2\n1.0\n4.042344 -0.000000 -1.200739\n-0.356668 4.026578 -1.200739\n-0.003143 -0.003435 7.394161\nBa Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750001 0.500000 Al\n0.750000 0.250001 0.500000 Al\n0.635503 0.635504 0.271005 Ge\n0.364497 0.364498 0.728994 Ge\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.645009809096972,
"density_atomic": 0.04155583756040082,
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"formula_full": "Ba1 Al2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-7913",
"created_at": "2022-09-04T14:37:04.300118Z",
"updated_at": "2022-09-04T14:37:04.300141Z",
"structure_string": "Ca1 Ge2 Ru2\n1.0\n3.985359 -0.000000 -1.560382\n-0.610934 3.938254 -1.560382\n-0.004589 -0.005357 5.857955\nCa Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.367882 0.367881 0.735764 Ge\n0.632119 0.632117 0.264237 Ge\n0.250000 0.749999 0.500001 Ru\n0.750000 0.249999 0.500001 Ru\n",
"nsites": 5,
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],
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"formula_full": "Ca1 Ge2 Ru2",
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}
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}