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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3610",
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"results": [
{
"id": "jvasp-52096",
"created_at": "2022-09-04T14:38:09.466026Z",
"updated_at": "2022-09-04T14:38:09.466055Z",
"structure_string": "Dy4 Co2 Si4\n1.0\n4.030274 0.000000 0.953502\n1.966478 5.207321 0.682420\n0.004840 -0.031743 8.973903\nDy Co Si\n4 2 4\ndirect\n0.186262 0.732914 0.894562 Dy\n0.813737 0.267087 0.105437 Dy\n0.998814 0.330647 0.671722 Dy\n0.001185 0.669353 0.328277 Dy\n0.726765 0.924150 0.622320 Co\n0.273234 0.075850 0.377680 Co\n0.493856 0.138895 0.873391 Si\n0.506143 0.861105 0.126610 Si\n0.346775 0.739388 0.567060 Si\n0.653224 0.260612 0.432940 Si\n",
"nsites": 10,
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"volume": 188.3384310878729,
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"formula_full": "Dy4 Co2 Si4",
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"spacegroup": 12
},
{
"id": "jvasp-110307",
"created_at": "2022-09-04T14:38:14.756205Z",
"updated_at": "2022-09-04T14:38:14.756228Z",
"structure_string": "Ba2 Mn1 N2\n1.0\n3.945725 0.000000 -1.182044\n-0.355748 3.927705 -1.187506\n-0.010732 -0.001521 7.140715\nBa Mn N\n2 1 2\ndirect\n0.142272 0.142272 0.784545 Ba\n0.857726 0.857727 0.215455 Ba\n0.499999 0.499999 0.500000 Mn\n0.632698 0.632698 0.765398 N\n0.367301 0.367301 0.234602 N\n",
"nsites": 5,
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"elements": [
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"volume": 110.60666560376175,
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"formula_full": "Ba2 Mn1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-43383",
"created_at": "2022-09-04T14:38:14.283889Z",
"updated_at": "2022-09-04T14:38:14.283918Z",
"structure_string": "Zr8 N8 O4\n1.0\n5.562541 -0.037658 0.025577\n0.024312 3.159840 9.813306\n2.813884 -4.798473 0.025577\nZr N O\n8 8 4\ndirect\n0.414734 0.712971 0.145877 Zr\n0.323692 0.038507 0.381807 Zr\n0.168974 0.463014 0.666023 Zr\n0.046989 0.786988 0.868012 Zr\n0.906699 0.211494 0.137801 Zr\n0.563628 0.287477 0.859748 Zr\n0.677728 0.962524 0.648894 Zr\n0.817092 0.537031 0.372296 Zr\n0.881322 0.367864 0.944870 N\n0.833035 0.630386 0.746006 N\n0.587038 0.375714 0.545187 N\n0.672992 0.882138 0.250814 N\n0.080527 0.874287 0.537247 N\n0.623868 0.122445 0.042777 N\n0.134379 0.619615 0.036578 N\n0.329669 0.127556 0.753687 N\n0.379851 0.866138 0.931038 O\n0.185099 0.383863 0.254011 O\n0.440632 0.625001 0.434368 O\n0.932036 0.125001 0.442964 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 5.760674840861152,
"density_atomic": 0.07659514312464924,
"volume": 261.11316180260206,
"volume_molar": 7.8623010733196255,
"formula_full": "Zr8 N8 O4",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0903718,
"spacegroup": 5
},
{
"id": "jvasp-14404",
"created_at": "2022-09-04T14:38:10.049632Z",
"updated_at": "2022-09-04T14:38:10.049662Z",
"structure_string": "Ca1 Mn2 P2\n1.0\n1.895398 -3.282927 -0.000000\n1.895398 3.282927 0.000000\n-0.000000 -0.000000 6.758522\nCa Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666668 0.616664 Mn\n0.666668 0.333333 0.383336 Mn\n0.666668 0.333333 0.719283 P\n0.333333 0.666668 0.280716 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"P"
],
"chemical_system": "Ca-Mn-P",
"density": 4.183502095197597,
"density_atomic": 0.0594465469615093,
"volume": 84.10917463780396,
"volume_molar": 10.13034577752555,
"formula_full": "Ca1 Mn2 P2",
"formula_reduced": "Ca(MnP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8367711805517235,
"spacegroup": 164
},
{
"id": "jvasp-109119",
"created_at": "2022-09-04T14:38:15.375253Z",
"updated_at": "2022-09-04T14:38:15.375287Z",
"structure_string": "La4 Cd2 Au4\n1.0\n8.200711 -0.000000 0.000000\n0.000000 8.200711 0.000000\n-0.000000 -0.000000 3.986738\nLa Cd Au\n4 2 4\ndirect\n0.672350 0.172350 0.500000 La\n0.327650 0.827650 0.500000 La\n0.172350 0.327650 0.500000 La\n0.827650 0.672350 0.500000 La\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.128266 0.628266 -0.000000 Au\n0.871734 0.371734 -0.000000 Au\n0.628266 0.871734 -0.000000 Au\n0.371734 0.128266 -0.000000 Au\n",
"nsites": 10,
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"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-La",
"density": 9.713155513573849,
"density_atomic": 0.037297462828345083,
"volume": 268.114752095155,
"volume_molar": 16.146247769495282,
"formula_full": "La4 Cd2 Au4",
"formula_reduced": "La2CdAu2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-17786",
"created_at": "2022-09-04T14:38:13.797400Z",
"updated_at": "2022-09-04T14:38:13.797421Z",
"structure_string": "Y1 Mn2 Ge2\n1.0\n3.716219 -0.000000 -1.280573\n-0.441273 3.689928 -1.280573\n0.021536 0.024265 6.095012\nY Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250001 0.750000 0.500001 Mn\n0.750001 0.250000 0.500000 Mn\n0.619819 0.619818 0.239638 Ge\n0.380183 0.380181 0.760363 Ge\n",
"nsites": 5,
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"elements": [
"Y",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Y",
"density": 6.817004204790629,
"density_atomic": 0.059659256262038246,
"volume": 83.80929152114737,
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"formula_full": "Y1 Mn2 Ge2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 2.673894366551724,
"spacegroup": 139
},
{
"id": "jvasp-26772",
"created_at": "2022-09-04T14:38:14.741582Z",
"updated_at": "2022-09-04T14:38:14.741617Z",
"structure_string": "Rb16 Zn8 O16\n1.0\n0.000000 9.570366 0.091825\n6.338679 0.000000 0.000000\n0.000000 -7.784902 -14.051340\nRb Zn O\n16 8 16\ndirect\n0.683821 0.583240 0.762041 Rb\n0.683821 0.916760 0.262041 Rb\n0.564856 0.437374 0.119768 Rb\n0.860511 0.822785 0.528272 Rb\n0.922858 0.138495 0.163937 Rb\n0.316179 0.083240 0.737958 Rb\n0.860511 0.677215 0.028272 Rb\n0.564856 0.062626 0.619768 Rb\n0.435144 0.937374 0.380231 Rb\n0.435144 0.562626 0.880231 Rb\n0.316179 0.416760 0.237958 Rb\n0.139490 0.322785 0.971727 Rb\n0.077142 0.861505 0.836062 Rb\n0.077142 0.638495 0.336062 Rb\n0.922859 0.361505 0.663937 Rb\n0.139489 0.177215 0.471727 Rb\n0.412316 0.946826 0.040193 Zn\n0.758087 0.377641 0.368392 Zn\n0.587685 0.053174 0.959807 Zn\n0.241913 0.622359 0.631608 Zn\n0.758087 0.122359 0.868392 Zn\n0.587685 0.446826 0.459807 Zn\n0.241913 0.877641 0.131608 Zn\n0.412316 0.553174 0.540193 Zn\n0.255076 0.778982 0.529429 O\n0.384906 0.106500 0.142493 O\n0.142002 0.689026 0.702159 O\n0.615095 0.893500 0.857507 O\n0.142002 0.810974 0.202159 O\n0.744924 0.278982 0.970571 O\n0.363121 0.134145 0.926695 O\n0.615095 0.606500 0.357507 O\n0.384906 0.393500 0.642493 O\n0.255076 0.721018 0.029429 O\n0.857999 0.310974 0.297841 O\n0.857999 0.189026 0.797841 O\n0.744924 0.221018 0.470571 O\n0.636880 0.865856 0.073305 O\n0.363120 0.365855 0.426695 O\n0.636880 0.634145 0.573305 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Zn",
"O"
],
"chemical_system": "O-Rb-Zn",
"density": 4.204358399557271,
"density_atomic": 0.04717693465979038,
"volume": 847.8719587962677,
"volume_molar": 12.76501070582011,
"formula_full": "Rb16 Zn8 O16",
"formula_reduced": "Rb2ZnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-17881",
"created_at": "2022-09-04T14:38:09.180995Z",
"updated_at": "2022-09-04T14:38:09.181022Z",
"structure_string": "U1 Fe2 Si2\n1.0\n3.694717 0.000000 -1.411282\n-0.539072 3.655180 -1.411282\n-0.052959 -0.061342 5.403356\nU Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.750001 0.250000 0.500001 Fe\n0.250000 0.750000 0.500001 Fe\n0.630340 0.630339 0.260679 Si\n0.369661 0.369661 0.739323 Si\n",
"nsites": 5,
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"elements": [
"U",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-U",
"density": 9.318111207146783,
"density_atomic": 0.06912585893815837,
"volume": 72.33183177475044,
"volume_molar": 8.711849447523756,
"formula_full": "U1 Fe2 Si2",
"formula_reduced": "U(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.967888839999999,
"spacegroup": 139
},
{
"id": "jvasp-54738",
"created_at": "2022-09-04T14:38:15.530019Z",
"updated_at": "2022-09-04T14:38:15.530047Z",
"structure_string": "Zn4 H8 O8\n1.0\n5.796284 0.000000 0.000000\n0.000000 5.938662 0.000000\n0.000000 0.000000 5.215924\nZn H O\n4 8 8\ndirect\n0.388872 0.099998 0.619778 Zn\n0.611127 0.599998 0.880221 Zn\n0.888872 0.400001 0.380221 Zn\n0.111127 0.900001 0.119778 Zn\n0.124699 0.774812 0.635196 H\n0.875300 0.274812 0.864802 H\n0.375301 0.225188 0.135197 H\n0.624698 0.725188 0.364803 H\n0.302359 0.571775 0.309468 H\n0.197641 0.428224 0.809468 H\n0.802358 0.928224 0.690531 H\n0.697641 0.071776 0.190531 H\n0.881062 0.413474 0.759247 O\n0.638811 0.878510 0.683273 O\n0.361189 0.378511 0.816725 O\n0.138811 0.621489 0.316726 O\n0.861188 0.121489 0.183274 O\n0.381062 0.086526 0.240752 O\n0.618937 0.586526 0.259248 O\n0.118937 0.913474 0.740752 O\n",
"nsites": 20,
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"elements": [
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"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 3.678149720311853,
"density_atomic": 0.11139366074423765,
"volume": 179.5434306259173,
"volume_molar": 5.406179058812844,
"formula_full": "Zn4 H8 O8",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5436554799999995,
"spacegroup": 19
},
{
"id": "jvasp-22183",
"created_at": "2022-09-04T14:38:15.537897Z",
"updated_at": "2022-09-04T14:38:15.537924Z",
"structure_string": "Ce2 B4 Ru4\n1.0\n5.262048 0.056634 -1.785504\n-2.417547 4.674165 -1.785504\n-0.025023 -0.041617 5.976969\nCe B Ru\n2 4 4\ndirect\n0.250000 0.750000 0.500001 Ce\n0.000000 0.000000 0.000000 Ce\n0.934230 0.065769 0.500001 B\n0.565770 0.434230 0.500001 B\n0.684230 0.315770 0.000001 B\n0.315770 0.684230 0.000001 B\n0.611766 0.111766 0.223533 Ru\n0.888234 0.388233 0.776469 Ru\n0.361766 0.361765 0.723532 Ru\n0.638235 0.638235 0.276469 Ru\n",
"nsites": 10,
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"elements": [
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"B",
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],
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"density": 8.218126175494277,
"density_atomic": 0.06800454084799017,
"volume": 147.0490040121423,
"volume_molar": 8.855498007789254,
"formula_full": "Ce2 B4 Ru4",
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"spacegroup": 70
},
{
"id": "jvasp-108083",
"created_at": "2022-09-04T14:38:09.100589Z",
"updated_at": "2022-09-04T14:38:09.100621Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.109747 -0.042374 9.397080\n1.930913 3.628138 9.397080\n-0.071384 -0.042374 10.256219\nSb Te Se\n2 2 1\ndirect\n0.400287 0.400288 0.400286 Sb\n0.596788 0.596790 0.596787 Sb\n0.792105 0.792107 0.792104 Te\n0.997119 0.997122 0.997117 Te\n0.213699 0.213700 0.213699 Se\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.106178578413773,
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"volume": 157.09665147767083,
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"formula_full": "Sb2 Te2 Se1",
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},
{
"id": "jvasp-17832",
"created_at": "2022-09-04T14:38:14.427060Z",
"updated_at": "2022-09-04T14:38:14.427085Z",
"structure_string": "U1 Co2 Ge2\n1.0\n3.740730 0.000000 -1.411277\n-0.532437 3.702644 -1.411277\n0.010625 0.012261 5.691389\nU Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.499999 Co\n0.749999 0.250000 0.499999 Co\n0.627163 0.627164 0.254328 Ge\n0.372834 0.372835 0.745671 Ge\n",
"nsites": 5,
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"elements": [
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"Co",
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],
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"volume": 78.95856598379672,
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"formula_full": "U1 Co2 Ge2",
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"energy_above_hull": 2.95213994,
"spacegroup": 139
}
]
}