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"results": [
{
"id": "jvasp-94242",
"created_at": "2022-09-04T14:35:47.654445Z",
"updated_at": "2022-09-04T14:35:47.654467Z",
"structure_string": "Ba1 Mg6 Co1\n1.0\n8.097855 -1.110347 0.000000\n-5.010516 6.457774 0.000000\n0.000000 0.000000 4.460337\nBa Mg Co\n1 6 1\ndirect\n0.275853 0.224147 0.750001 Ba\n0.210094 0.796659 0.250000 Mg\n0.703339 0.289905 0.250000 Mg\n0.681376 0.818622 0.250000 Mg\n0.317569 0.661271 0.750001 Mg\n0.838727 0.182429 0.750001 Mg\n0.870650 0.629347 0.750001 Mg\n0.102384 0.397615 0.250000 Co\n",
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{
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"structure_string": "Li2 I1\n1.0\n3.826644 0.376679 0.558687\n-1.303579 -3.614518 -0.581007\n-0.008091 -2.564993 -6.720297\nLi I\n2 1\ndirect\n0.799598 0.634758 0.601260 Li\n0.435711 0.433784 0.166046 Li\n0.117583 0.034197 0.883737 I\n",
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{
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"structure_string": "Sr6 Mg2\n1.0\n5.548123 0.000000 -0.000000\n0.000000 5.548123 0.000000\n0.000000 0.000000 11.372119\nSr Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.250000 Sr\n0.000000 0.500000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.750000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
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{
"id": "jvasp-51524",
"created_at": "2022-09-04T14:37:31.786547Z",
"updated_at": "2022-09-04T14:37:31.786563Z",
"structure_string": "Al4 In4 Cl16\n1.0\n7.024115 0.000000 0.000000\n0.000000 9.319269 0.000000\n0.000000 0.000000 10.563486\nAl In Cl\n4 4 16\ndirect\n0.749999 0.812292 0.564978 Al\n0.250000 0.312292 0.935022 Al\n0.250000 0.187708 0.435022 Al\n0.749999 0.687708 0.064978 Al\n0.749999 0.283049 0.694890 In\n0.749999 0.216951 0.194890 In\n0.250000 0.716951 0.305111 In\n0.250000 0.783049 0.805111 In\n-0.001989 0.674884 0.566370 Cl\n0.250000 0.055678 0.602143 Cl\n0.749999 0.555678 0.897857 Cl\n0.250000 0.444322 0.102143 Cl\n0.001989 0.174884 0.933630 Cl\n0.749999 0.944322 0.397857 Cl\n0.498011 0.325116 0.433630 Cl\n0.749999 0.936781 0.737236 Cl\n0.749999 0.563219 0.237236 Cl\n0.501989 0.825116 0.066370 Cl\n0.501989 0.674884 0.566370 Cl\n0.498011 0.174884 0.933630 Cl\n0.250000 0.063219 0.262764 Cl\n0.001989 0.325116 0.433630 Cl\n-0.001989 0.825116 0.066370 Cl\n0.250000 0.436781 0.762765 Cl\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-Cl-In",
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"volume": 691.4817495610951,
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"formula_full": "Al4 In4 Cl16",
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"spacegroup": 62
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{
"id": "jvasp-92892",
"created_at": "2022-09-04T14:35:46.009360Z",
"updated_at": "2022-09-04T14:35:46.009389Z",
"structure_string": "Mg6 Cr1 Ga1\n1.0\n6.180791 0.007951 0.000000\n-3.083509 5.340794 0.000000\n0.000000 0.000000 4.936702\nMg Cr Ga\n6 1 1\ndirect\n0.666687 0.331865 0.250000 Mg\n0.666687 0.834820 0.250000 Mg\n0.328010 0.168100 0.750000 Mg\n0.328010 0.659911 0.750000 Mg\n0.841915 0.170958 0.750000 Mg\n0.837507 0.668754 0.750000 Mg\n0.164786 0.332393 0.250000 Cr\n0.166397 0.833197 0.250000 Ga\n",
"nsites": 8,
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"density": 2.724227424817672,
"density_atomic": 0.04905471487715351,
"volume": 163.0832025022304,
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{
"id": "jvasp-88671",
"created_at": "2022-09-04T14:35:42.382533Z",
"updated_at": "2022-09-04T14:35:42.382561Z",
"structure_string": "Sb1 S24 I3\n1.0\n12.651052 -0.040629 -7.010257\n-11.892353 4.315404 -7.010257\n-0.007211 -0.040629 14.463498\nSb S I\n1 24 3\ndirect\n0.348071 0.348071 0.348071 Sb\n0.443014 0.168783 0.443014 S\n0.761061 0.625495 0.373802 S\n0.625495 0.373802 0.761061 S\n0.373802 0.761061 0.625495 S\n0.373802 0.625495 0.761061 S\n0.625495 0.761061 0.373802 S\n0.761061 0.373802 0.625495 S\n0.616645 0.424839 0.081307 S\n0.424839 0.081308 0.616646 S\n0.081307 0.616645 0.424839 S\n0.081308 0.424839 0.616645 S\n0.424839 0.616645 0.081307 S\n0.616646 0.081308 0.424839 S\n0.867909 0.734526 0.248765 S\n0.734526 0.248766 0.867909 S\n0.248766 0.867909 0.734526 S\n0.248766 0.734526 0.867909 S\n0.734526 0.867909 0.248765 S\n0.867909 0.248766 0.734526 S\n-0.016494 0.585844 0.585844 S\n0.585844 0.585844 -0.016495 S\n0.585845 -0.016494 0.585845 S\n0.443014 0.443014 0.168783 S\n0.168783 0.443014 0.443014 S\n0.118173 0.951064 0.951064 I\n0.951064 0.951064 0.118173 I\n0.951065 0.118173 0.951065 I\n",
"nsites": 28,
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"elements": [
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"density_atomic": 0.036109139091953714,
"volume": 775.4269612658616,
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"formula_full": "Sb1 S24 I3",
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},
{
"id": "jvasp-85919",
"created_at": "2022-09-04T14:36:11.469325Z",
"updated_at": "2022-09-04T14:36:11.469352Z",
"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.994702 0.084599 -1.465926\n-1.491209 6.126778 -3.152767\n0.007444 0.003866 7.375603\nK C Br N O\n2 2 2 4 8\ndirect\n0.327966 0.278909 0.127384 K\n0.672033 0.721092 0.872615 K\n0.952538 0.243067 0.537866 C\n0.047461 0.756934 0.462133 C\n0.796733 0.203491 0.711265 Br\n0.203266 0.796510 0.288734 Br\n0.822491 0.638321 0.369386 N\n0.177509 0.361680 0.630613 N\n0.834137 0.158854 0.323780 N\n0.165862 0.841147 0.676219 N\n0.272857 0.421516 0.825496 O\n0.714941 0.587825 0.473385 O\n0.727142 0.578485 0.174503 O\n0.371865 0.945611 0.741789 O\n0.628134 0.054390 0.258210 O\n0.285059 0.412176 0.526614 O\n0.924642 0.179002 0.194291 O\n0.075357 0.820999 0.805708 O\n",
"nsites": 18,
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],
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"density": 2.7233936779105896,
"density_atomic": 0.06618388187390349,
"volume": 271.9695413800963,
"volume_molar": 9.099104781242136,
"formula_full": "K2 C2 Br2 N4 O8",
"formula_reduced": "KCBr(NO2)2",
"formula_anonymous": "ABCD2E4",
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"spacegroup": 2
},
{
"id": "jvasp-49229",
"created_at": "2022-09-04T14:38:36.463768Z",
"updated_at": "2022-09-04T14:38:36.463798Z",
"structure_string": "Ca4 Al6 Te1 O12\n1.0\n7.524552 0.000000 -2.660331\n-3.762276 6.516453 -2.660331\n-0.000000 -0.000000 7.980993\nCa Al Te O\n4 6 1 12\ndirect\n0.610947 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.610947 Ca\n0.389052 0.389053 0.389053 Ca\n-0.000000 0.610947 -0.000000 Ca\n0.499999 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.749999 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Te\n0.416028 0.715181 -0.000000 O\n-0.000000 0.416028 0.715181 O\n0.715181 0.416028 -0.000000 O\n-0.000001 0.715181 0.416028 O\n0.700846 0.284818 0.284818 O\n0.284818 0.700847 0.284818 O\n0.715181 0.000000 0.416028 O\n0.299153 0.583971 0.583971 O\n0.583971 0.299153 0.583971 O\n0.284818 0.284818 0.700847 O\n0.583971 0.583971 0.299153 O\n0.416028 0.000000 0.715181 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 2.7233027620049293,
"density_atomic": 0.0587731531535847,
"volume": 391.33513799909474,
"volume_molar": 10.246414284193797,
"formula_full": "Ca4 Al6 Te1 O12",
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"formula_anonymous": "AB4C6D12",
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},
{
"id": "jvasp-103903",
"created_at": "2022-09-04T14:37:03.705258Z",
"updated_at": "2022-09-04T14:37:03.705278Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.692658 0.062373 0.152379\n1.070635 4.100915 0.780411\n0.010388 -0.060135 7.329476\nZn H C O\n1 4 4 4\ndirect\n0.839987 0.933781 0.284771 Zn\n0.982800 0.611490 0.672650 H\n0.158625 0.176205 0.737854 H\n0.521587 0.691603 0.831681 H\n0.697445 0.256322 0.896880 H\n0.465174 0.393447 0.526646 C\n0.234794 0.407711 0.702638 C\n0.445438 0.460090 0.866892 C\n0.215073 0.474332 0.042887 C\n0.405732 0.646557 0.399802 O\n0.709966 0.124698 0.513821 O\n0.274514 0.221254 0.169745 O\n0.970257 0.743087 0.055691 O\n",
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"formula_full": "Zn1 H4 C4 O4",
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"spacegroup": 2
},
{
"id": "jvasp-52372",
"created_at": "2022-09-04T14:36:33.290650Z",
"updated_at": "2022-09-04T14:36:33.290683Z",
"structure_string": "K4 Mg4 O6\n1.0\n0.000000 5.899884 -0.010319\n6.233598 0.000000 0.000000\n0.000000 -2.571395 -5.792291\nK Mg O\n4 4 6\ndirect\n0.179497 0.370826 0.927901 K\n0.820501 0.870826 0.572099 K\n0.179498 0.129174 0.427901 K\n0.820501 0.629174 0.072099 K\n0.336762 0.607694 0.575632 Mg\n0.336763 0.892306 0.075633 Mg\n0.663236 0.107694 0.924367 Mg\n0.663236 0.392306 0.424368 Mg\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.416478 0.858346 0.793615 O\n0.583520 0.358346 0.706385 O\n0.416478 0.641655 0.293615 O\n0.583521 0.141655 0.206385 O\n",
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"volume": 213.1914155003521,
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"formula_full": "K4 Mg4 O6",
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{
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"created_at": "2022-09-04T14:36:07.697849Z",
"updated_at": "2022-09-04T14:36:07.697867Z",
"structure_string": "S4 I4 Cl28\n1.0\n8.134573 -0.073508 0.000000\n-3.348148 9.836709 0.000000\n0.000000 0.000000 12.449695\nS I Cl\n4 4 28\ndirect\n0.243114 0.138918 0.084070 S\n0.743114 0.138918 0.415930 S\n0.756885 0.861082 0.915930 S\n0.256885 0.861082 0.584070 S\n0.845389 0.271948 0.903078 I\n0.654610 0.728052 0.403078 I\n0.345390 0.271948 0.596923 I\n0.154610 0.728052 0.096923 I\n0.471079 0.098741 0.107163 Cl\n0.575119 0.894612 0.275261 Cl\n0.075119 0.894612 0.224739 Cl\n0.735835 0.577432 0.535118 Cl\n0.764164 0.422568 0.035118 Cl\n0.264164 0.422568 0.464883 Cl\n0.235835 0.577432 0.964883 Cl\n0.661720 0.573672 0.251233 Cl\n0.838279 0.426327 0.751234 Cl\n0.338279 0.426327 0.748767 Cl\n0.161720 0.573673 0.248767 Cl\n0.636685 0.892968 0.561313 Cl\n0.863314 0.107032 0.061312 Cl\n0.363314 0.107032 0.438688 Cl\n0.136686 0.892968 0.938688 Cl\n0.802053 0.256726 0.551449 Cl\n0.697946 0.743274 0.051449 Cl\n0.424881 0.105388 0.724739 Cl\n0.302053 0.256726 0.948552 Cl\n0.767777 0.284517 0.300972 Cl\n0.732222 0.715483 0.800972 Cl\n0.232222 0.715483 0.699029 Cl\n0.267777 0.284517 0.199028 Cl\n0.971079 0.098741 0.392837 Cl\n0.528920 0.901259 0.892838 Cl\n0.028920 0.901259 0.607163 Cl\n0.924880 0.105388 0.775261 Cl\n0.197946 0.743274 0.448551 Cl\n",
"nsites": 36,
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"elements": [
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],
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},
{
"id": "jvasp-94752",
"created_at": "2022-09-04T14:35:46.104507Z",
"updated_at": "2022-09-04T14:35:46.104529Z",
"structure_string": "Mg6 Al1 Sb1\n1.0\n6.355327 -0.119211 0.000000\n-3.280903 5.444268 0.000000\n0.000000 0.000000 5.251183\nMg Al Sb\n6 1 1\ndirect\n0.160567 0.840019 0.250000 Mg\n0.659982 0.339434 0.250000 Mg\n0.666220 0.833781 0.250000 Mg\n0.337809 0.651461 0.750000 Mg\n0.848540 0.162192 0.750000 Mg\n0.833562 0.666439 0.750000 Mg\n0.142659 0.357342 0.250000 Al\n0.350669 0.149331 0.750000 Sb\n",
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"spacegroup": 38
}
]
}